smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619791 792978798 /nfs/dbraw/zinc/97/87/98/792978798.db2.gz HWCXXLAXXNRPHY-RDGPPVDQSA-N 2 1 318.461 2.027 10 0 DEAEMP CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(N)=O ZINC000716731222 793003746 /nfs/dbraw/zinc/00/37/46/793003746.db2.gz ANUFSWWYGVLOPA-BBWFWOEESA-N 2 1 315.461 2.141 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000710995318 1086692584 /nfs/dbraw/zinc/69/25/84/1086692584.db2.gz MHXNXDGKDGPPJZ-JQHSSLGASA-N 2 1 318.461 2.496 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000710995318 1086692586 /nfs/dbraw/zinc/69/25/86/1086692586.db2.gz MHXNXDGKDGPPJZ-JQHSSLGASA-N 2 1 318.461 2.496 10 0 DEAEMP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000711250968 1087035733 /nfs/dbraw/zinc/03/57/33/1087035733.db2.gz OSNPMDRUGFTVEL-DLBZAZTESA-N 2 1 315.461 2.013 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711426597 1087100929 /nfs/dbraw/zinc/10/09/29/1087100929.db2.gz UHQASGMQSFOXRC-SOUVJXGZSA-N 2 1 311.470 2.221 10 0 DEAEMP C[NH2+]CCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000719669640 1092420583 /nfs/dbraw/zinc/42/05/83/1092420583.db2.gz YNFYFWHXNRLKBZ-INIZCTEOSA-N 2 1 303.450 2.109 10 0 DEAEMP C[NH2+]CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000719669640 1092420587 /nfs/dbraw/zinc/42/05/87/1092420587.db2.gz YNFYFWHXNRLKBZ-INIZCTEOSA-N 2 1 303.450 2.109 10 0 DEAEMP CCCc1nsc(N2CCC[N@@H+](CCCCC[NH3+])CC2)n1 ZINC000087639612 185229741 /nfs/dbraw/zinc/22/97/41/185229741.db2.gz QCIDPADIJQBYSI-UHFFFAOYSA-N 2 1 311.499 2.132 10 0 DEAEMP Cc1[nH+]ccn1-c1cncc(NCC2([NH+](C)C)CCCC2)n1 ZINC000329145653 282200101 /nfs/dbraw/zinc/20/01/01/282200101.db2.gz NVHJFSKSMCZFKV-UHFFFAOYSA-N 2 1 300.410 2.257 10 0 DEAEMP [NH3+]C[C@](O)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439775 185250658 /nfs/dbraw/zinc/25/06/58/185250658.db2.gz OLOGXUCWZRKQHW-KBPBESRZSA-N 2 1 302.340 2.107 10 0 DEAEMP [NH3+]C[C@](O)(C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439775 185250659 /nfs/dbraw/zinc/25/06/59/185250659.db2.gz OLOGXUCWZRKQHW-KBPBESRZSA-N 2 1 302.340 2.107 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000178312434 282217080 /nfs/dbraw/zinc/21/70/80/282217080.db2.gz CTOTUSMAVXIXDS-HLLBOEOZSA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000178312434 282217081 /nfs/dbraw/zinc/21/70/81/282217081.db2.gz CTOTUSMAVXIXDS-HLLBOEOZSA-N 2 1 318.465 2.160 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000186753024 539676607 /nfs/dbraw/zinc/67/66/07/539676607.db2.gz NHDBOTHKRXSUQO-INIZCTEOSA-N 2 1 320.481 2.100 10 0 DEAEMP CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@H]1C[N@@H+](C)CCN1C ZINC000149610794 186051602 /nfs/dbraw/zinc/05/16/02/186051602.db2.gz OTDKRTUKDLUZSO-IRXDYDNUSA-N 2 1 309.885 2.497 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172134851 198045269 /nfs/dbraw/zinc/04/52/69/198045269.db2.gz RWWUXDLBINNTJX-RHSMWYFYSA-N 2 1 316.449 2.449 10 0 DEAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000066243140 354705865 /nfs/dbraw/zinc/70/58/65/354705865.db2.gz XPMBXCLYGCPGCJ-HNNXBMFYSA-N 2 1 300.450 2.500 10 0 DEAEMP C[C@H](CCNC(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000181589718 356087319 /nfs/dbraw/zinc/08/73/19/356087319.db2.gz MPTUJLPBZBKFCZ-IAGOWNOFSA-N 2 1 324.513 2.425 10 0 DEAEMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399548408 283153211 /nfs/dbraw/zinc/15/32/11/283153211.db2.gz BJLQOIJCTRWXBC-VYDXJSESSA-N 2 1 305.466 2.243 10 0 DEAEMP CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1C[NH2+]C ZINC000092004874 193139278 /nfs/dbraw/zinc/13/92/78/193139278.db2.gz XKEVPUVTKHINFM-OLZOCXBDSA-N 2 1 308.495 2.488 10 0 DEAEMP COc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838507 368415404 /nfs/dbraw/zinc/41/54/04/368415404.db2.gz PLZGAQYCCDCRRS-ZYHUDNBSSA-N 2 1 313.239 2.484 10 0 DEAEMP COc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838507 368415408 /nfs/dbraw/zinc/41/54/08/368415408.db2.gz PLZGAQYCCDCRRS-ZYHUDNBSSA-N 2 1 313.239 2.484 10 0 DEAEMP CC[N@@H+](CC(C)(C)O)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000092983418 193191408 /nfs/dbraw/zinc/19/14/08/193191408.db2.gz FFFZJYYNFGEULG-QGZVFWFLSA-N 2 1 300.487 2.122 10 0 DEAEMP CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756554 193301713 /nfs/dbraw/zinc/30/17/13/193301713.db2.gz RZTXPYGJWGORKE-AAEUAGOBSA-N 2 1 309.376 2.035 10 0 DEAEMP CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756554 193301715 /nfs/dbraw/zinc/30/17/15/193301715.db2.gz RZTXPYGJWGORKE-AAEUAGOBSA-N 2 1 309.376 2.035 10 0 DEAEMP CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756567 193301739 /nfs/dbraw/zinc/30/17/39/193301739.db2.gz ZCPFTDRQKJWWGV-YPMHNXCESA-N 2 1 309.376 2.037 10 0 DEAEMP CCC[NH2+][C@@]1(C(N)=O)CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756567 193301741 /nfs/dbraw/zinc/30/17/41/193301741.db2.gz ZCPFTDRQKJWWGV-YPMHNXCESA-N 2 1 309.376 2.037 10 0 DEAEMP CC1(C)CCC[C@@H](C[NH+]2CCN(c3nccs3)CC2)[C@@H]1[NH3+] ZINC000094286289 193356286 /nfs/dbraw/zinc/35/62/86/193356286.db2.gz XCFAAELGNDBANB-KBPBESRZSA-N 2 1 308.495 2.419 10 0 DEAEMP CN(C[C@@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334363 193360488 /nfs/dbraw/zinc/36/04/88/193360488.db2.gz ZVOLNFDFMVJNNW-NSHDSACASA-N 2 1 302.344 2.090 10 0 DEAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000020217641 182198258 /nfs/dbraw/zinc/19/82/58/182198258.db2.gz NEUGXFSBOBFDJN-AWEZNQCLSA-N 2 1 312.255 2.086 10 0 DEAEMP NC(=[NH2+])c1ccc(OCC[N@H+]2CCc3sccc3C2)cc1 ZINC000041068645 183162539 /nfs/dbraw/zinc/16/25/39/183162539.db2.gz KEKYCEJYFPXQBC-UHFFFAOYSA-N 2 1 301.415 2.469 10 0 DEAEMP C[C@@H](C[N@H+](C)CCOc1cccc(Br)c1)C(N)=[NH2+] ZINC000042459863 183272690 /nfs/dbraw/zinc/27/26/90/183272690.db2.gz TUSMFYIJFMYHII-JTQLQIEISA-N 2 1 314.227 2.332 10 0 DEAEMP C[C@@H](C[N@@H+](C)CCOc1cccc(Br)c1)C(N)=[NH2+] ZINC000042459863 183272691 /nfs/dbraw/zinc/27/26/91/183272691.db2.gz TUSMFYIJFMYHII-JTQLQIEISA-N 2 1 314.227 2.332 10 0 DEAEMP CC[NH+]1CCC(N(C)c2[nH+]c(C)cc(C)c2C(N)=S)CC1 ZINC000042681610 183296377 /nfs/dbraw/zinc/29/63/77/183296377.db2.gz VYNPARUJIDXWTI-UHFFFAOYSA-N 2 1 306.479 2.253 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105125117 194076286 /nfs/dbraw/zinc/07/62/86/194076286.db2.gz KLJFILVKUUMPDJ-HZPDHXFCSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000110710302 194352850 /nfs/dbraw/zinc/35/28/50/194352850.db2.gz CWERBPYRVFGOIQ-FZMZJTMJSA-N 2 1 301.356 2.130 10 0 DEAEMP CCO[C@H](C[NH3+])C[N@H+](C)Cc1cccc(Br)c1 ZINC000062739659 184252081 /nfs/dbraw/zinc/25/20/81/184252081.db2.gz XEPYMGIPPKSPNQ-CYBMUJFWSA-N 2 1 301.228 2.245 10 0 DEAEMP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1cccc(Br)c1 ZINC000062739659 184252083 /nfs/dbraw/zinc/25/20/83/184252083.db2.gz XEPYMGIPPKSPNQ-CYBMUJFWSA-N 2 1 301.228 2.245 10 0 DEAEMP Cc1cc(C)c(C(N)=S)c(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC000063124864 184271516 /nfs/dbraw/zinc/27/15/16/184271516.db2.gz KJPVDIZSCKHALF-UHFFFAOYSA-N 2 1 306.479 2.111 10 0 DEAEMP COc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1C[NH+]1CCCC1 ZINC000065408285 184339039 /nfs/dbraw/zinc/33/90/39/184339039.db2.gz UXTZQWBOZSHQKE-KRWDZBQOSA-N 2 1 312.417 2.249 10 0 DEAEMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cn1 ZINC000248103574 257109535 /nfs/dbraw/zinc/10/95/35/257109535.db2.gz FJSUMNURZFUYIE-JKSUJKDBSA-N 2 1 316.474 2.436 10 0 DEAEMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cn1 ZINC000248103574 257109536 /nfs/dbraw/zinc/10/95/36/257109536.db2.gz FJSUMNURZFUYIE-JKSUJKDBSA-N 2 1 316.474 2.436 10 0 DEAEMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)cn1 ZINC000248103574 257109537 /nfs/dbraw/zinc/10/95/37/257109537.db2.gz FJSUMNURZFUYIE-JKSUJKDBSA-N 2 1 316.474 2.436 10 0 DEAEMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)cn1 ZINC000248103574 257109538 /nfs/dbraw/zinc/10/95/38/257109538.db2.gz FJSUMNURZFUYIE-JKSUJKDBSA-N 2 1 316.474 2.436 10 0 DEAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC000121030346 195282334 /nfs/dbraw/zinc/28/23/34/195282334.db2.gz QLUXXUBMRHXYLX-OALUTQOASA-N 2 1 321.509 2.070 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000127893323 195919844 /nfs/dbraw/zinc/91/98/44/195919844.db2.gz MWJPRTXGYJNVPA-NVXWUHKLSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000357407878 133075909 /nfs/dbraw/zinc/07/59/09/133075909.db2.gz FPKYMJNUWMDRDL-QAPCUYQASA-N 2 1 315.461 2.495 10 0 DEAEMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000357407880 133076111 /nfs/dbraw/zinc/07/61/11/133076111.db2.gz FPKYMJNUWMDRDL-YJBOKZPZSA-N 2 1 315.461 2.495 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359667813 133138110 /nfs/dbraw/zinc/13/81/10/133138110.db2.gz PWKAWYKJCMXOSB-DLBZAZTESA-N 2 1 307.482 2.195 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCCC(C)C ZINC000246944819 145120120 /nfs/dbraw/zinc/12/01/20/145120120.db2.gz HTBYNHCDOQGFCI-GDBMZVCRSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCC(C)C ZINC000246944819 145120122 /nfs/dbraw/zinc/12/01/22/145120122.db2.gz HTBYNHCDOQGFCI-GDBMZVCRSA-N 2 1 306.454 2.207 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000247401426 145136227 /nfs/dbraw/zinc/13/62/27/145136227.db2.gz RCEDYLCIHRZSPW-GOEBONIOSA-N 2 1 324.513 2.277 10 0 DEAEMP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248641126 145162749 /nfs/dbraw/zinc/16/27/49/145162749.db2.gz CKHQHHNRTTXOPT-DLBZAZTESA-N 2 1 321.465 2.301 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248641126 145162750 /nfs/dbraw/zinc/16/27/50/145162750.db2.gz CKHQHHNRTTXOPT-DLBZAZTESA-N 2 1 321.465 2.301 10 0 DEAEMP C[C@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000248997006 145175030 /nfs/dbraw/zinc/17/50/30/145175030.db2.gz PFMNHYJJMXRGQQ-DUQJVZAFSA-N 3 1 309.498 2.091 10 0 DEAEMP C[C@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248997006 145175031 /nfs/dbraw/zinc/17/50/31/145175031.db2.gz PFMNHYJJMXRGQQ-DUQJVZAFSA-N 2 1 309.498 2.091 10 0 DEAEMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000249086002 145178219 /nfs/dbraw/zinc/17/82/19/145178219.db2.gz IUVVEARASCPDTC-NZSAHSFTSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000249086002 145178220 /nfs/dbraw/zinc/17/82/20/145178220.db2.gz IUVVEARASCPDTC-NZSAHSFTSA-N 2 1 318.461 2.292 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457393 145185072 /nfs/dbraw/zinc/18/50/72/145185072.db2.gz YFOBZLHGKDMQHP-RBUKOAKNSA-N 2 1 323.525 2.030 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261540003 145205907 /nfs/dbraw/zinc/20/59/07/145205907.db2.gz DMRFIDYTYFXQJU-KRWDZBQOSA-N 2 1 303.450 2.096 10 0 DEAEMP C[C@@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000261758096 145223518 /nfs/dbraw/zinc/22/35/18/145223518.db2.gz HWCFOCTZXJHOFW-HZTRTUMWSA-N 2 1 301.434 2.036 10 0 DEAEMP CCOC(=O)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261827419 145231603 /nfs/dbraw/zinc/23/16/03/145231603.db2.gz IVNRYGSSOZOEKT-PBHICJAKSA-N 2 1 302.418 2.149 10 0 DEAEMP CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261827419 145231604 /nfs/dbraw/zinc/23/16/04/145231604.db2.gz IVNRYGSSOZOEKT-PBHICJAKSA-N 2 1 302.418 2.149 10 0 DEAEMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000261922050 145241865 /nfs/dbraw/zinc/24/18/65/145241865.db2.gz KLANFZKMQQRZSK-OTWHNJEPSA-N 2 1 300.446 2.148 10 0 DEAEMP CCOC(=O)[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952011 145246081 /nfs/dbraw/zinc/24/60/81/145246081.db2.gz GCESDWGJIYXYEM-FUHWJXTLSA-N 2 1 302.418 2.149 10 0 DEAEMP CCOC(=O)[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952011 145246083 /nfs/dbraw/zinc/24/60/83/145246083.db2.gz GCESDWGJIYXYEM-FUHWJXTLSA-N 2 1 302.418 2.149 10 0 DEAEMP CCO[C@@H]1C[C@]([NH3+])(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C ZINC000262070032 145259209 /nfs/dbraw/zinc/25/92/09/145259209.db2.gz RYXPVCVNYWXSEK-DYVFJYSZSA-N 2 1 316.405 2.184 10 0 DEAEMP C[C@@H](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000262455139 145285369 /nfs/dbraw/zinc/28/53/69/145285369.db2.gz VCZQYCVLLNINON-BQFCYCMXSA-N 2 1 317.477 2.401 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000127893096 401754626 /nfs/dbraw/zinc/75/46/26/401754626.db2.gz MWJPRTXGYJNVPA-WBVHZDCISA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)NC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110102 401783245 /nfs/dbraw/zinc/78/32/45/401783245.db2.gz FAOGQNGHGRYRBV-SFHVURJKSA-N 2 1 317.477 2.355 10 0 DEAEMP CC(C)NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110102 401783248 /nfs/dbraw/zinc/78/32/48/401783248.db2.gz FAOGQNGHGRYRBV-SFHVURJKSA-N 2 1 317.477 2.355 10 0 DEAEMP CC(C)NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110102 401783250 /nfs/dbraw/zinc/78/32/50/401783250.db2.gz FAOGQNGHGRYRBV-SFHVURJKSA-N 2 1 317.477 2.355 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113609442 401784035 /nfs/dbraw/zinc/78/40/35/401784035.db2.gz NNEVRYHXLLJCHW-RDJZCZTQSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000119097291 401925735 /nfs/dbraw/zinc/92/57/35/401925735.db2.gz JLHPBPRCYZJLEY-RDHHWEPZSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[C@]1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCC[NH2+]1 ZINC000134606615 401908464 /nfs/dbraw/zinc/90/84/64/401908464.db2.gz IBPINTREOXOZFX-GOSISDBHSA-N 2 1 316.449 2.007 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516345 401943186 /nfs/dbraw/zinc/94/31/86/401943186.db2.gz HXFJGDITFWWHQD-YJBOKZPZSA-N 2 1 317.477 2.280 10 0 DEAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1C ZINC000123211287 402115729 /nfs/dbraw/zinc/11/57/29/402115729.db2.gz LTLAFSBOPROUNZ-RDJZCZTQSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1C ZINC000123211287 402115731 /nfs/dbraw/zinc/11/57/31/402115731.db2.gz LTLAFSBOPROUNZ-RDJZCZTQSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123211287 402115735 /nfs/dbraw/zinc/11/57/35/402115735.db2.gz LTLAFSBOPROUNZ-RDJZCZTQSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123211287 402115739 /nfs/dbraw/zinc/11/57/39/402115739.db2.gz LTLAFSBOPROUNZ-RDJZCZTQSA-N 2 1 315.461 2.380 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123820923 402148384 /nfs/dbraw/zinc/14/83/84/402148384.db2.gz JYFPMZPCCGXBHU-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123820923 402148386 /nfs/dbraw/zinc/14/83/86/402148386.db2.gz JYFPMZPCCGXBHU-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123820923 402148388 /nfs/dbraw/zinc/14/83/88/402148388.db2.gz JYFPMZPCCGXBHU-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123820923 402148390 /nfs/dbraw/zinc/14/83/90/402148390.db2.gz JYFPMZPCCGXBHU-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000101991629 402160672 /nfs/dbraw/zinc/16/06/72/402160672.db2.gz SSYSCOZYXYUIQA-QGZVFWFLSA-N 2 1 324.513 2.140 10 0 DEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000177001230 402358313 /nfs/dbraw/zinc/35/83/13/402358313.db2.gz FYYBZYIOKPSCNK-IAGOWNOFSA-N 2 1 303.450 2.232 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000177001230 402358315 /nfs/dbraw/zinc/35/83/15/402358315.db2.gz FYYBZYIOKPSCNK-IAGOWNOFSA-N 2 1 303.450 2.232 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000186393705 402428108 /nfs/dbraw/zinc/42/81/08/402428108.db2.gz WTYADPVDWGYKDG-UHFFFAOYSA-N 2 1 304.438 2.144 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000186629469 402449076 /nfs/dbraw/zinc/44/90/76/402449076.db2.gz CXFBBAFTKWJXBI-SJORKVTESA-N 2 1 318.465 2.025 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000245785979 402487847 /nfs/dbraw/zinc/48/78/47/402487847.db2.gz MWLIBKYMWRRTCP-KBAYOESNSA-N 2 1 317.477 2.496 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC000245943880 402499362 /nfs/dbraw/zinc/49/93/62/402499362.db2.gz NCRLMXZQAWQAQO-RHSMWYFYSA-N 2 1 318.465 2.493 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC000245943880 402499365 /nfs/dbraw/zinc/49/93/65/402499365.db2.gz NCRLMXZQAWQAQO-RHSMWYFYSA-N 2 1 318.465 2.493 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000246197580 402518096 /nfs/dbraw/zinc/51/80/96/402518096.db2.gz DPLHDTFAWHGAPA-BZSNNMDCSA-N 2 1 315.461 2.094 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246362034 402527466 /nfs/dbraw/zinc/52/74/66/402527466.db2.gz GQLWYZVXMYHXIL-PMPSAXMXSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246362034 402527468 /nfs/dbraw/zinc/52/74/68/402527468.db2.gz GQLWYZVXMYHXIL-PMPSAXMXSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246362034 402527469 /nfs/dbraw/zinc/52/74/69/402527469.db2.gz GQLWYZVXMYHXIL-PMPSAXMXSA-N 2 1 312.502 2.088 10 0 DEAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250145296 402645670 /nfs/dbraw/zinc/64/56/70/402645670.db2.gz ZSBNUIDLZVMNGN-BPQIPLTHSA-N 2 1 315.461 2.013 10 0 DEAEMP CCCn1cc[nH+]c1CCCN(C)Cc1nnc(C2CC2)n1C ZINC000191489115 402673767 /nfs/dbraw/zinc/67/37/67/402673767.db2.gz RXRAVTFKCOCPCH-UHFFFAOYSA-N 2 1 316.453 2.364 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533659 402697826 /nfs/dbraw/zinc/69/78/26/402697826.db2.gz STMGEKXDADZKKP-DOTOQJQBSA-N 2 1 305.466 2.353 10 0 DEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000261969760 402720690 /nfs/dbraw/zinc/72/06/90/402720690.db2.gz PWWBMCWBSKZWEL-IRXDYDNUSA-N 2 1 309.498 2.474 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000174757848 402755794 /nfs/dbraw/zinc/75/57/94/402755794.db2.gz MKUKQTHRXAMIHE-DOTOQJQBSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000174757848 402755796 /nfs/dbraw/zinc/75/57/96/402755796.db2.gz MKUKQTHRXAMIHE-DOTOQJQBSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000174757848 402755797 /nfs/dbraw/zinc/75/57/97/402755797.db2.gz MKUKQTHRXAMIHE-DOTOQJQBSA-N 2 1 322.497 2.129 10 0 DEAEMP CN1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000174887136 402761790 /nfs/dbraw/zinc/76/17/90/402761790.db2.gz QRBATJVEYARDFY-KRWDZBQOSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000174887136 402761792 /nfs/dbraw/zinc/76/17/92/402761792.db2.gz QRBATJVEYARDFY-KRWDZBQOSA-N 2 1 305.441 2.428 10 0 DEAEMP Cc1nn2c(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)c(C(C)C)nc2s1 ZINC000333176204 403686329 /nfs/dbraw/zinc/68/63/29/403686329.db2.gz QYRSYXLXABYZCU-ZYHUDNBSSA-N 2 1 307.467 2.310 10 0 DEAEMP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309702694 403961766 /nfs/dbraw/zinc/96/17/66/403961766.db2.gz GTJVSIVCGPOZQT-MSOLQXFVSA-N 2 1 315.461 2.109 10 0 DEAEMP C(C[NH+]1CC[C@]2(C1)CCCOC2)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276776 404720829 /nfs/dbraw/zinc/72/08/29/404720829.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 2 1 322.493 2.382 10 0 DEAEMP C(C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276776 404720830 /nfs/dbraw/zinc/72/08/30/404720830.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 2 1 322.493 2.382 10 0 DEAEMP C(C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276776 404720831 /nfs/dbraw/zinc/72/08/31/404720831.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 2 1 322.493 2.382 10 0 DEAEMP C[C@H](CCNC(=O)C[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000379680529 405030156 /nfs/dbraw/zinc/03/01/56/405030156.db2.gz MRSCDZNCJAUBPC-AEFFLSMTSA-N 2 1 317.477 2.403 10 0 DEAEMP CCn1nncc1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391768 405884593 /nfs/dbraw/zinc/88/45/93/405884593.db2.gz DBGJAISTMRKHPB-RDJZCZTQSA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459391768 405884597 /nfs/dbraw/zinc/88/45/97/405884597.db2.gz DBGJAISTMRKHPB-RDJZCZTQSA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391768 405884599 /nfs/dbraw/zinc/88/45/99/405884599.db2.gz DBGJAISTMRKHPB-RDJZCZTQSA-N 2 1 313.449 2.298 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000561310754 405919153 /nfs/dbraw/zinc/91/91/53/405919153.db2.gz OEDVMMMZTLJKAU-QGZVFWFLSA-N 2 1 321.440 2.200 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000561310754 405919161 /nfs/dbraw/zinc/91/91/61/405919161.db2.gz OEDVMMMZTLJKAU-QGZVFWFLSA-N 2 1 321.440 2.200 10 0 DEAEMP c1nc2n(n1)[C@H](C[NH+]1CCC([NH2+]Cc3ccccc3)CC1)CC2 ZINC000639661357 406195356 /nfs/dbraw/zinc/19/53/56/406195356.db2.gz SYTKTYKOOGOSMT-KRWDZBQOSA-N 2 1 311.433 2.020 10 0 DEAEMP c1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)nc(N2CCCCC2)[nH+]1 ZINC000634812716 406295918 /nfs/dbraw/zinc/29/59/18/406295918.db2.gz PNTKXLINXVFNOL-LSDHHAIUSA-N 2 1 301.438 2.045 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000638103509 406572022 /nfs/dbraw/zinc/57/20/22/406572022.db2.gz PPPKICJMSOYUNX-JLSDUUJJSA-N 2 1 313.445 2.203 10 0 DEAEMP CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381910628 424909410 /nfs/dbraw/zinc/90/94/10/424909410.db2.gz ZSOHSBBKLISRQT-ABHNRTSZSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972217 424916857 /nfs/dbraw/zinc/91/68/57/424916857.db2.gz CNKJLCPFIUTHKY-AGERRDQYSA-N 2 1 315.461 2.141 10 0 DEAEMP [NH3+]C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390755806 424917394 /nfs/dbraw/zinc/91/73/94/424917394.db2.gz VURQECGXVFLZLZ-ABHNRTSZSA-N 2 1 315.461 2.285 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000653201996 425433108 /nfs/dbraw/zinc/43/31/08/425433108.db2.gz CYBVNEGOVQDBJR-YFHUEUNASA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000174387500 267496823 /nfs/dbraw/zinc/49/68/23/267496823.db2.gz MCXGQCXQFZQYGV-BRWVUGGUSA-N 2 1 324.513 2.231 10 0 DEAEMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392196004 269099265 /nfs/dbraw/zinc/09/92/65/269099265.db2.gz COLIETVGWJILJX-MRXNPFEDSA-N 2 1 323.481 2.485 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185195339 276168683 /nfs/dbraw/zinc/16/86/83/276168683.db2.gz GYYNUDDHPFBOEF-MRXNPFEDSA-N 2 1 324.513 2.234 10 0 DEAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176999312 276180678 /nfs/dbraw/zinc/18/06/78/276180678.db2.gz DIOKHSLEQYZGPH-ZWKOTPCHSA-N 2 1 317.477 2.102 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000176999312 276180679 /nfs/dbraw/zinc/18/06/79/276180679.db2.gz DIOKHSLEQYZGPH-ZWKOTPCHSA-N 2 1 317.477 2.102 10 0 DEAEMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262041726 277103908 /nfs/dbraw/zinc/10/39/08/277103908.db2.gz YINAKZVMODDSIK-OIISXLGYSA-N 2 1 308.466 2.430 10 0 DEAEMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262041726 277103909 /nfs/dbraw/zinc/10/39/09/277103909.db2.gz YINAKZVMODDSIK-OIISXLGYSA-N 2 1 308.466 2.430 10 0 DEAEMP CC[N@@H+](CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000107843714 279194233 /nfs/dbraw/zinc/19/42/33/279194233.db2.gz QSDBCKAURUPICC-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185195360 279325183 /nfs/dbraw/zinc/32/51/83/279325183.db2.gz GYYNUDDHPFBOEF-INIZCTEOSA-N 2 1 324.513 2.234 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C2)[nH+]1 ZINC000195516109 281245097 /nfs/dbraw/zinc/24/50/97/281245097.db2.gz BHLCDXQBJRXFCS-AWEZNQCLSA-N 2 1 304.438 2.039 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000398163297 337307726 /nfs/dbraw/zinc/30/77/26/337307726.db2.gz SNDPNIFNMNESEG-AYBZRNKSSA-N 2 1 315.461 2.155 10 0 DEAEMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H](C)[NH3+] ZINC000248873763 521231454 /nfs/dbraw/zinc/23/14/54/521231454.db2.gz PQZYILIFCZXFOY-FUHWJXTLSA-N 2 1 317.477 2.484 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000246260743 521711205 /nfs/dbraw/zinc/71/12/05/521711205.db2.gz LASMEGGLEJSSBE-UCHQMPSGSA-N 2 1 307.482 2.096 10 0 DEAEMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249862865 536163131 /nfs/dbraw/zinc/16/31/31/536163131.db2.gz GSFDMQXPJKZFEL-BPUTZDHNSA-N 2 1 318.465 2.427 10 0 DEAEMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000262379628 536746450 /nfs/dbraw/zinc/74/64/50/536746450.db2.gz YOPUKTSRMAIDAX-PBWFPOADSA-N 2 1 304.390 2.139 10 0 DEAEMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCO2 ZINC000262379628 536746456 /nfs/dbraw/zinc/74/64/56/536746456.db2.gz YOPUKTSRMAIDAX-PBWFPOADSA-N 2 1 304.390 2.139 10 0 DEAEMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261925639 647142057 /nfs/dbraw/zinc/14/20/57/647142057.db2.gz LAYJDHCWZNVYTB-BRSBDYLESA-N 2 1 304.434 2.121 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000721858828 780394268 /nfs/dbraw/zinc/39/42/68/780394268.db2.gz GALRVKZAIBQVEX-APIJFGDWSA-N 2 1 311.470 2.314 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000721858828 780394277 /nfs/dbraw/zinc/39/42/77/780394277.db2.gz GALRVKZAIBQVEX-APIJFGDWSA-N 2 1 311.470 2.314 10 0 DEAEMP COC[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721729151 781856900 /nfs/dbraw/zinc/85/69/00/781856900.db2.gz VOGNPQZIUFOTCD-RTBURBONSA-N 2 1 320.477 2.132 10 0 DEAEMP COC[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721729151 781856912 /nfs/dbraw/zinc/85/69/12/781856912.db2.gz VOGNPQZIUFOTCD-RTBURBONSA-N 2 1 320.477 2.132 10 0 DEAEMP COCC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619789 792979473 /nfs/dbraw/zinc/97/94/73/792979473.db2.gz HWCXXLAXXNRPHY-MANSERQUSA-N 2 1 318.461 2.027 10 0 DEAEMP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677604 792983581 /nfs/dbraw/zinc/98/35/81/792983581.db2.gz GPPNEXQFSVDBHP-ZSYWTGECSA-N 2 1 318.461 2.027 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719550 801845202 /nfs/dbraw/zinc/84/52/02/801845202.db2.gz MUADQMZKPYHZSD-UKRRQHHQSA-N 2 1 311.470 2.316 10 0 DEAEMP C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000711339381 1087067844 /nfs/dbraw/zinc/06/78/44/1087067844.db2.gz LSBSVIGJHBYJLG-SUMDDJOVSA-N 2 1 315.461 2.155 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000380895735 1144379245 /nfs/dbraw/zinc/37/92/45/1144379245.db2.gz JEHXFLQXPSYDSG-IAGOWNOFSA-N 2 1 303.450 2.142 10 0 DEAEMP CC(C)(C)c1nsc(N2CCC[N@@H+](CCCC[NH3+])CC2)n1 ZINC000087639583 185229778 /nfs/dbraw/zinc/22/97/78/185229778.db2.gz TYOVDFKKGZATCL-UHFFFAOYSA-N 2 1 311.499 2.087 10 0 DEAEMP C[N@H+]1CC[C@@H](Cn2c(N)[nH+]c3ccc(Br)cc32)C1 ZINC000087836992 185233198 /nfs/dbraw/zinc/23/31/98/185233198.db2.gz CUKSHBUKXJXVQU-SECBINFHSA-N 2 1 309.211 2.333 10 0 DEAEMP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179620807 282230501 /nfs/dbraw/zinc/23/05/01/282230501.db2.gz VPICASQSCQVJDY-DLBZAZTESA-N 2 1 318.465 2.073 10 0 DEAEMP CN(C[C@H]1CCC[N@H+]1C)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000092625278 185330124 /nfs/dbraw/zinc/33/01/24/185330124.db2.gz NQUHWFHACRHWAJ-ROKHWSDSSA-N 2 1 307.404 2.462 10 0 DEAEMP C[NH2+][C@@H]1C(=O)Nc2cc(OC3CC[NH+](C)CC3)c(Cl)cc21 ZINC000092770075 185339616 /nfs/dbraw/zinc/33/96/16/185339616.db2.gz HPFFHKQMUULOMQ-AWEZNQCLSA-N 2 1 309.797 2.026 10 0 DEAEMP C[N@H+](Cc1cc(N)cc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000148058989 186042552 /nfs/dbraw/zinc/04/25/52/186042552.db2.gz WVFHDNSFDJIWIW-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1cc(N)cc(Br)c1)C[C@H]1CC[N@H+](C)C1 ZINC000148058989 186042554 /nfs/dbraw/zinc/04/25/54/186042554.db2.gz WVFHDNSFDJIWIW-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1cc(N)cc(Br)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000148058989 186042556 /nfs/dbraw/zinc/04/25/56/186042556.db2.gz WVFHDNSFDJIWIW-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH2+][C@H](C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149572805 186050944 /nfs/dbraw/zinc/05/09/44/186050944.db2.gz VEPAZTZUGDKJFR-UKRRQHHQSA-N 2 1 311.857 2.245 10 0 DEAEMP C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@H]1C[N@@H+](C)CCN1C ZINC000149590902 186051914 /nfs/dbraw/zinc/05/19/14/186051914.db2.gz MWSFJHPSLYDMAG-OLZOCXBDSA-N 2 1 313.848 2.246 10 0 DEAEMP COCC[NH2+]C[C@H]1CCCN1c1cc[nH+]cc1Br ZINC000164151405 186150495 /nfs/dbraw/zinc/15/04/95/186150495.db2.gz MFJMJBDKSYOCDF-LLVKDONJSA-N 2 1 314.227 2.049 10 0 DEAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390871157 540135352 /nfs/dbraw/zinc/13/53/52/540135352.db2.gz GEJOIMPWFBOQNJ-ZWKOTPCHSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390871157 540135354 /nfs/dbraw/zinc/13/53/54/540135354.db2.gz GEJOIMPWFBOQNJ-ZWKOTPCHSA-N 2 1 320.477 2.274 10 0 DEAEMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC1([NH3+])CC1 ZINC000404366944 540145868 /nfs/dbraw/zinc/14/58/68/540145868.db2.gz PRWNVOLUPMYGRH-HRCADAONSA-N 2 1 315.461 2.378 10 0 DEAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262327356 356341302 /nfs/dbraw/zinc/34/13/02/356341302.db2.gz XGLDOQKWHRABHH-IRXDYDNUSA-N 2 1 303.450 2.272 10 0 DEAEMP Cc1ccc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)ccc2n1 ZINC000189278038 200375291 /nfs/dbraw/zinc/37/52/91/200375291.db2.gz DWNZCHBIVUKHBG-SFHVURJKSA-N 2 1 313.445 2.480 10 0 DEAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2COCCO2)C3)cc1 ZINC000447534303 239000129 /nfs/dbraw/zinc/00/01/29/239000129.db2.gz WFJRLBZNCHFVCW-AKHDSKFASA-N 2 1 316.445 2.187 10 0 DEAEMP CC[N@@H+](CC(C)(C)O)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000092983543 193191460 /nfs/dbraw/zinc/19/14/60/193191460.db2.gz DWVFYIJFJHHRQF-UHFFFAOYSA-N 2 1 300.487 2.264 10 0 DEAEMP C[NH2+][C@H]1C(=O)Nc2cc(OCC(C)(C)[NH+](C)C)c(Cl)cc21 ZINC000093955274 193331766 /nfs/dbraw/zinc/33/17/66/193331766.db2.gz GQTXMTUYSPYLCO-CYBMUJFWSA-N 2 1 311.813 2.272 10 0 DEAEMP C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000043258587 183348155 /nfs/dbraw/zinc/34/81/55/183348155.db2.gz BQAMDGSPYVZYIT-SKDRFNHKSA-N 2 1 318.284 2.146 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2)CC1 ZINC000105862053 194148584 /nfs/dbraw/zinc/14/85/84/194148584.db2.gz OKIIUMNEAFMNPL-INIZCTEOSA-N 2 1 306.450 2.090 10 0 DEAEMP C[N@H+](Cc1ccc(Br)c(N)c1)C[C@H]1CC[NH+](C)C1 ZINC000159353936 197347826 /nfs/dbraw/zinc/34/78/26/197347826.db2.gz LTUHXMHPZSYHCL-LBPRGKRZSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)c(N)c1)C[C@H]1CC[N@H+](C)C1 ZINC000159353936 197347828 /nfs/dbraw/zinc/34/78/28/197347828.db2.gz LTUHXMHPZSYHCL-LBPRGKRZSA-N 2 1 312.255 2.415 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111121819 194392134 /nfs/dbraw/zinc/39/21/34/194392134.db2.gz KOZRLIJIMLPNEV-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](CC)CCOCC)C(=O)OC ZINC000111121819 194392136 /nfs/dbraw/zinc/39/21/36/194392136.db2.gz KOZRLIJIMLPNEV-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCCC[NH+](C)C)c1 ZINC000062066178 184203713 /nfs/dbraw/zinc/20/37/13/184203713.db2.gz CDYNYNSUXMRVCH-QGZVFWFLSA-N 2 1 303.450 2.027 10 0 DEAEMP C[NH+](Cc1ccc(Br)c(N)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000159353936 197347830 /nfs/dbraw/zinc/34/78/30/197347830.db2.gz LTUHXMHPZSYHCL-LBPRGKRZSA-N 2 1 312.255 2.415 10 0 DEAEMP CCOCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000157467705 197189954 /nfs/dbraw/zinc/18/99/54/197189954.db2.gz ZONLXZYNRNATGJ-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000157467705 197189956 /nfs/dbraw/zinc/18/99/56/197189956.db2.gz ZONLXZYNRNATGJ-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](C)CC1(C[NH2+]CCOC)CCC(C)CC1 ZINC000157555270 197196092 /nfs/dbraw/zinc/19/60/92/197196092.db2.gz TVMVDUQVEZWLDG-UHFFFAOYSA-N 2 1 300.487 2.387 10 0 DEAEMP Cc1cnccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000120661792 195211031 /nfs/dbraw/zinc/21/10/31/195211031.db2.gz JHGDVDHUVDSSGG-AWEZNQCLSA-N 2 1 318.421 2.107 10 0 DEAEMP Cc1cnccc1NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000120661792 195211033 /nfs/dbraw/zinc/21/10/33/195211033.db2.gz JHGDVDHUVDSSGG-AWEZNQCLSA-N 2 1 318.421 2.107 10 0 DEAEMP CCCCCCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968833 132484373 /nfs/dbraw/zinc/48/43/73/132484373.db2.gz SQAAUCNNTYENHL-UHFFFAOYSA-N 2 1 309.498 2.491 10 0 DEAEMP COc1ccnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1OC ZINC000190390245 145041605 /nfs/dbraw/zinc/04/16/05/145041605.db2.gz HBSQBOCCNDKFOR-UHFFFAOYSA-N 2 1 319.449 2.407 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000246864367 145117209 /nfs/dbraw/zinc/11/72/09/145117209.db2.gz CTOTUSMAVXIXDS-ZOBUZTSGSA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000246864367 145117210 /nfs/dbraw/zinc/11/72/10/145117210.db2.gz CTOTUSMAVXIXDS-ZOBUZTSGSA-N 2 1 318.465 2.160 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000247082089 145125825 /nfs/dbraw/zinc/12/58/25/145125825.db2.gz HXDHRMLTGBGBAI-IRXDYDNUSA-N 2 1 324.513 2.377 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000247508377 145139895 /nfs/dbraw/zinc/13/98/95/145139895.db2.gz YEHTWCUMEPPRAF-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000247506229 145139911 /nfs/dbraw/zinc/13/99/11/145139911.db2.gz ORPMYSKWRNNOJU-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000247506229 145139913 /nfs/dbraw/zinc/13/99/13/145139913.db2.gz ORPMYSKWRNNOJU-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000247506229 145139914 /nfs/dbraw/zinc/13/99/14/145139914.db2.gz ORPMYSKWRNNOJU-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000248795182 145167823 /nfs/dbraw/zinc/16/78/23/145167823.db2.gz JCWCFFMQAVWUII-KBAYOESNSA-N 2 1 317.477 2.353 10 0 DEAEMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000261793313 145227293 /nfs/dbraw/zinc/22/72/93/145227293.db2.gz UDPUEEXSPMUJJQ-MRXNPFEDSA-N 2 1 323.387 2.367 10 0 DEAEMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261805737 145227952 /nfs/dbraw/zinc/22/79/52/145227952.db2.gz HIMKKMUELKYRPX-HOTGVXAUSA-N 2 1 301.434 2.337 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261857111 145234355 /nfs/dbraw/zinc/23/43/55/145234355.db2.gz BSVCZDKNFLCIIL-YLFCFFPRSA-N 2 1 324.852 2.120 10 0 DEAEMP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261903393 145239182 /nfs/dbraw/zinc/23/91/82/145239182.db2.gz HZMFXBHZRSHPOD-KURKYZTESA-N 2 1 318.461 2.429 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262680890 145299919 /nfs/dbraw/zinc/29/99/19/145299919.db2.gz XIAPVLXLMBOKSI-OAGGEKHMSA-N 2 1 304.438 2.009 10 0 DEAEMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262952145 145313594 /nfs/dbraw/zinc/31/35/94/145313594.db2.gz JSRGJHIZPPXWHR-BQFCYCMXSA-N 2 1 307.482 2.275 10 0 DEAEMP COC(C)(C)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000346529174 146097619 /nfs/dbraw/zinc/09/76/19/146097619.db2.gz JSEWDGBUYDOUDW-LJQANCHMSA-N 2 1 320.477 2.370 10 0 DEAEMP COC(C)(C)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000346529174 146097621 /nfs/dbraw/zinc/09/76/21/146097621.db2.gz JSEWDGBUYDOUDW-LJQANCHMSA-N 2 1 320.477 2.370 10 0 DEAEMP COC(C)(C)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346529174 146097622 /nfs/dbraw/zinc/09/76/22/146097622.db2.gz JSEWDGBUYDOUDW-LJQANCHMSA-N 2 1 320.477 2.370 10 0 DEAEMP COC(C)(C)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346529174 146097624 /nfs/dbraw/zinc/09/76/24/146097624.db2.gz JSEWDGBUYDOUDW-LJQANCHMSA-N 2 1 320.477 2.370 10 0 DEAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)CS(C)(=O)=O)CC1 ZINC000119162287 401930234 /nfs/dbraw/zinc/93/02/34/401930234.db2.gz UFPCJNZNFQNTMR-HNNXBMFYSA-N 2 1 318.527 2.111 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000080563987 401890214 /nfs/dbraw/zinc/89/02/14/401890214.db2.gz QDYFAFVVWXSMSV-OAHLLOKOSA-N 2 1 321.469 2.145 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000080563987 401890217 /nfs/dbraw/zinc/89/02/17/401890217.db2.gz QDYFAFVVWXSMSV-OAHLLOKOSA-N 2 1 321.469 2.145 10 0 DEAEMP c1ccc(OCCOCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771808 401995191 /nfs/dbraw/zinc/99/51/91/401995191.db2.gz HSXABZSPSAHGTD-SFHVURJKSA-N 2 1 318.461 2.500 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771808 401995193 /nfs/dbraw/zinc/99/51/93/401995193.db2.gz HSXABZSPSAHGTD-SFHVURJKSA-N 2 1 318.461 2.500 10 0 DEAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000122038478 402060198 /nfs/dbraw/zinc/06/01/98/402060198.db2.gz WGUZHYYFTFVEBA-INIZCTEOSA-N 2 1 323.485 2.199 10 0 DEAEMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000121905948 402055942 /nfs/dbraw/zinc/05/59/42/402055942.db2.gz ZHLQNHYAMOGYCB-AQFXKWCLSA-N 2 1 324.513 2.138 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123330682 402122266 /nfs/dbraw/zinc/12/22/66/402122266.db2.gz LENQDXGXWFWPKO-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123330682 402122268 /nfs/dbraw/zinc/12/22/68/402122268.db2.gz LENQDXGXWFWPKO-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123330682 402122271 /nfs/dbraw/zinc/12/22/71/402122271.db2.gz LENQDXGXWFWPKO-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123330682 402122273 /nfs/dbraw/zinc/12/22/73/402122273.db2.gz LENQDXGXWFWPKO-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177713290 402429338 /nfs/dbraw/zinc/42/93/38/402429338.db2.gz NLBMRGDFIXLMAD-JKSUJKDBSA-N 2 1 318.465 2.482 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177713290 402429340 /nfs/dbraw/zinc/42/93/40/402429340.db2.gz NLBMRGDFIXLMAD-JKSUJKDBSA-N 2 1 318.465 2.482 10 0 DEAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307525 402482455 /nfs/dbraw/zinc/48/24/55/402482455.db2.gz AQEFLDZTFSEZHM-INIZCTEOSA-N 2 1 306.454 2.301 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307525 402482457 /nfs/dbraw/zinc/48/24/57/402482457.db2.gz AQEFLDZTFSEZHM-INIZCTEOSA-N 2 1 306.454 2.301 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307525 402482460 /nfs/dbraw/zinc/48/24/60/402482460.db2.gz AQEFLDZTFSEZHM-INIZCTEOSA-N 2 1 306.454 2.301 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000171063285 402553529 /nfs/dbraw/zinc/55/35/29/402553529.db2.gz VBHYBTWFCYJZCE-OAHLLOKOSA-N 2 1 312.502 2.138 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000247013177 402553652 /nfs/dbraw/zinc/55/36/52/402553652.db2.gz HFMBIBNBNUKQLW-RYRKJORJSA-N 2 1 321.509 2.486 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000247013177 402553654 /nfs/dbraw/zinc/55/36/54/402553654.db2.gz HFMBIBNBNUKQLW-RYRKJORJSA-N 2 1 321.509 2.486 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000247013177 402553656 /nfs/dbraw/zinc/55/36/56/402553656.db2.gz HFMBIBNBNUKQLW-RYRKJORJSA-N 2 1 321.509 2.486 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171191014 402565287 /nfs/dbraw/zinc/56/52/87/402565287.db2.gz AGSLAJUWPNROIO-KRWDZBQOSA-N 2 1 322.497 2.034 10 0 DEAEMP Cc1ncsc1CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000179251527 402582930 /nfs/dbraw/zinc/58/29/30/402582930.db2.gz NZYXPWXNIFOORR-MRXNPFEDSA-N 2 1 322.522 2.096 10 0 DEAEMP Cc1ncsc1CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000179251527 402582932 /nfs/dbraw/zinc/58/29/32/402582932.db2.gz NZYXPWXNIFOORR-MRXNPFEDSA-N 2 1 322.522 2.096 10 0 DEAEMP Cc1ncsc1CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000179251527 402582934 /nfs/dbraw/zinc/58/29/34/402582934.db2.gz NZYXPWXNIFOORR-MRXNPFEDSA-N 2 1 322.522 2.096 10 0 DEAEMP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000180169044 402608734 /nfs/dbraw/zinc/60/87/34/402608734.db2.gz XQQYFKKXCTWFTE-SJLPKXTDSA-N 2 1 301.434 2.032 10 0 DEAEMP c1nc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814016 402717567 /nfs/dbraw/zinc/71/75/67/402717567.db2.gz PZKSCXJVZZNGEA-HZPDHXFCSA-N 2 1 302.466 2.398 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000174880037 402760872 /nfs/dbraw/zinc/76/08/72/402760872.db2.gz YJGNDYZONDNYPL-GOSISDBHSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000174880037 402760874 /nfs/dbraw/zinc/76/08/74/402760874.db2.gz YJGNDYZONDNYPL-GOSISDBHSA-N 2 1 305.441 2.428 10 0 DEAEMP CN1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3)C2)CC1 ZINC000174891986 402761764 /nfs/dbraw/zinc/76/17/64/402761764.db2.gz BBBKZSGSTLMRRO-SFHVURJKSA-N 2 1 317.477 2.167 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3)C2)CC1 ZINC000174891986 402761765 /nfs/dbraw/zinc/76/17/65/402761765.db2.gz BBBKZSGSTLMRRO-SFHVURJKSA-N 2 1 317.477 2.167 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3)C2)CC1 ZINC000174891986 402761766 /nfs/dbraw/zinc/76/17/66/402761766.db2.gz BBBKZSGSTLMRRO-SFHVURJKSA-N 2 1 317.477 2.167 10 0 DEAEMP c1csc(C[N@H+](CC2CC[NH2+]CC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000262313932 402724084 /nfs/dbraw/zinc/72/40/84/402724084.db2.gz ZHIWIJDXEYUOTD-HNNXBMFYSA-N 3 1 320.506 2.087 10 0 DEAEMP c1csc(CN(CC2CC[NH2+]CC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000262313932 402724087 /nfs/dbraw/zinc/72/40/87/402724087.db2.gz ZHIWIJDXEYUOTD-HNNXBMFYSA-N 2 1 320.506 2.087 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728945 402827419 /nfs/dbraw/zinc/82/74/19/402827419.db2.gz GOCOIBJTNDPKER-ZBFHGGJFSA-N 2 1 323.506 2.369 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000175202814 402787784 /nfs/dbraw/zinc/78/77/84/402787784.db2.gz YFIZHTVPGOXAKW-LSDHHAIUSA-N 2 1 306.454 2.338 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000175202814 402787786 /nfs/dbraw/zinc/78/77/86/402787786.db2.gz YFIZHTVPGOXAKW-LSDHHAIUSA-N 2 1 306.454 2.338 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000195516198 402849553 /nfs/dbraw/zinc/84/95/53/402849553.db2.gz QPNNKEXYTSZWRO-JKSUJKDBSA-N 2 1 318.465 2.285 10 0 DEAEMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516263 402849916 /nfs/dbraw/zinc/84/99/16/402849916.db2.gz HXCOHXJBWUNSLI-HZPDHXFCSA-N 2 1 318.465 2.381 10 0 DEAEMP COCCOc1ccccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275662359 403113611 /nfs/dbraw/zinc/11/36/11/403113611.db2.gz VDOHMFBKUHXLTG-HNNXBMFYSA-N 2 1 315.417 2.261 10 0 DEAEMP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262643033 304388543 /nfs/dbraw/zinc/38/85/43/304388543.db2.gz LVTMSQDBDHWQQK-SZMVWBNQSA-N 2 1 319.493 2.384 10 0 DEAEMP CC[N@@H+](CCNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1)C1CC1 ZINC000369821572 404238858 /nfs/dbraw/zinc/23/88/58/404238858.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 1 318.465 2.239 10 0 DEAEMP CC[N@H+](CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C1CC1 ZINC000369821572 404238863 /nfs/dbraw/zinc/23/88/63/404238863.db2.gz ZKNMRIGGCMAAEO-ZDUSSCGKSA-N 2 1 318.465 2.239 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000358197447 404756295 /nfs/dbraw/zinc/75/62/95/404756295.db2.gz WODJSRPEHKKVTL-UHFFFAOYSA-N 2 1 322.497 2.060 10 0 DEAEMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379662728 405026973 /nfs/dbraw/zinc/02/69/73/405026973.db2.gz JCNOBANOLZKXQM-RYQLBKOJSA-N 2 1 315.461 2.155 10 0 DEAEMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000361699742 405203736 /nfs/dbraw/zinc/20/37/36/405203736.db2.gz RMAJVRWYWDJCLB-CYBMUJFWSA-N 2 1 306.458 2.123 10 0 DEAEMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060820 405697172 /nfs/dbraw/zinc/69/71/72/405697172.db2.gz JBKMMODPVROYLZ-SNRMKQJTSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060820 405697178 /nfs/dbraw/zinc/69/71/78/405697178.db2.gz JBKMMODPVROYLZ-SNRMKQJTSA-N 2 1 301.478 2.485 10 0 DEAEMP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]CC34CC(C3)C[NH2+]4)[C@H]21 ZINC000634997761 406391706 /nfs/dbraw/zinc/39/17/06/406391706.db2.gz RVAZBGRXCTYAFO-WFZPCRQYSA-N 2 1 319.246 2.429 10 0 DEAEMP C[C@@H](CCNC(=O)C1=CC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000638133776 406588358 /nfs/dbraw/zinc/58/83/58/406588358.db2.gz XVBSHEXAMFFQDZ-YOEHRIQHSA-N 2 1 301.434 2.061 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN(C)c2ccccc2)CC1 ZINC000131467576 287086043 /nfs/dbraw/zinc/08/60/43/287086043.db2.gz LIKICBFOTOMPEU-QGZVFWFLSA-N 2 1 319.493 2.147 10 0 DEAEMP COc1cccc([C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000129806889 196077607 /nfs/dbraw/zinc/07/76/07/196077607.db2.gz JACSPRMUDMGJFU-INIZCTEOSA-N 2 1 305.466 2.326 10 0 DEAEMP C[N@H+]1CCC[C@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000134375945 196383788 /nfs/dbraw/zinc/38/37/88/196383788.db2.gz RJMWKASHQMHXDZ-AWEZNQCLSA-N 2 1 323.238 2.048 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876279 424849623 /nfs/dbraw/zinc/84/96/23/424849623.db2.gz SHIGFVAOIGEGMK-LSDHHAIUSA-N 2 1 320.481 2.368 10 0 DEAEMP CN(C(=O)c1ccc(C[NH3+])o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390783559 424917530 /nfs/dbraw/zinc/91/75/30/424917530.db2.gz UOMDNTNHJXLLED-HNNXBMFYSA-N 2 1 313.401 2.085 10 0 DEAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000495039344 276308479 /nfs/dbraw/zinc/30/84/79/276308479.db2.gz CHOKSFRFXLQYFU-MRXNPFEDSA-N 2 1 303.450 2.285 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071871591 278395796 /nfs/dbraw/zinc/39/57/96/278395796.db2.gz AXQWTTLWHVYYPX-CQSZACIVSA-N 2 1 323.481 2.497 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071871591 278395797 /nfs/dbraw/zinc/39/57/97/278395797.db2.gz AXQWTTLWHVYYPX-CQSZACIVSA-N 2 1 323.481 2.497 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@H]1C ZINC000252506374 527757009 /nfs/dbraw/zinc/75/70/09/527757009.db2.gz RIHXBKJHUAAUOO-HUUCEWRRSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@H]1C ZINC000252506374 527757012 /nfs/dbraw/zinc/75/70/12/527757012.db2.gz RIHXBKJHUAAUOO-HUUCEWRRSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2c3ccccc3oc2=O)C[C@H]1C ZINC000252506374 527757016 /nfs/dbraw/zinc/75/70/16/527757016.db2.gz RIHXBKJHUAAUOO-HUUCEWRRSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c3ccccc3oc2=O)C[C@H]1C ZINC000252506374 527757019 /nfs/dbraw/zinc/75/70/19/527757019.db2.gz RIHXBKJHUAAUOO-HUUCEWRRSA-N 2 1 317.433 2.399 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448281085 528220635 /nfs/dbraw/zinc/22/06/35/528220635.db2.gz KWUVHZUJOBUMAC-RYQLBKOJSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281085 528220636 /nfs/dbraw/zinc/22/06/36/528220636.db2.gz KWUVHZUJOBUMAC-RYQLBKOJSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448281085 528220642 /nfs/dbraw/zinc/22/06/42/528220642.db2.gz KWUVHZUJOBUMAC-RYQLBKOJSA-N 2 1 319.493 2.336 10 0 DEAEMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249865966 535460669 /nfs/dbraw/zinc/46/06/69/535460669.db2.gz HXCOHXJBWUNSLI-CVEARBPZSA-N 2 1 318.465 2.381 10 0 DEAEMP C[NH2+][C@H]1CCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000261931368 536413471 /nfs/dbraw/zinc/41/34/71/536413471.db2.gz CUDIYKPRKOQUGB-ZDUSSCGKSA-N 2 1 308.495 2.093 10 0 DEAEMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828741 536760905 /nfs/dbraw/zinc/76/09/05/536760905.db2.gz YNJFYHNEUPBLRC-HNNXBMFYSA-N 2 1 305.422 2.083 10 0 DEAEMP Cc1cc2c(nc(N3CCCC3)[nH+]c2NCCC[NH+](C)C)[nH]1 ZINC000223922513 646506286 /nfs/dbraw/zinc/50/62/86/646506286.db2.gz LKPUWMGLOKKYDJ-UHFFFAOYSA-N 2 1 302.426 2.230 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(Cl)s2)CC1 ZINC000175432765 648347440 /nfs/dbraw/zinc/34/74/40/648347440.db2.gz ZNUUHELPYSCNGH-LLVKDONJSA-N 2 1 317.886 2.321 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393389231 685451634 /nfs/dbraw/zinc/45/16/34/685451634.db2.gz ATBKWLDKTMYTJK-BTHPGYMESA-N 2 1 313.489 2.296 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000393389231 685451637 /nfs/dbraw/zinc/45/16/37/685451637.db2.gz ATBKWLDKTMYTJK-BTHPGYMESA-N 3 1 313.489 2.296 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000393389231 685451642 /nfs/dbraw/zinc/45/16/42/685451642.db2.gz ATBKWLDKTMYTJK-BTHPGYMESA-N 3 1 313.489 2.296 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393389231 685451644 /nfs/dbraw/zinc/45/16/44/685451644.db2.gz ATBKWLDKTMYTJK-BTHPGYMESA-N 3 1 313.489 2.296 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000393389231 685451647 /nfs/dbraw/zinc/45/16/47/685451647.db2.gz ATBKWLDKTMYTJK-BTHPGYMESA-N 3 1 313.489 2.296 10 0 DEAEMP C[C@@H]([NH3+])c1nc(C(=O)NCC2([NH+](C)C)CCCCC2)cs1 ZINC000090951871 684033719 /nfs/dbraw/zinc/03/37/19/684033719.db2.gz QQULDQNZQDZVDT-LLVKDONJSA-N 2 1 310.467 2.157 10 0 DEAEMP C[C@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000121447783 684106918 /nfs/dbraw/zinc/10/69/18/684106918.db2.gz UOJHLTGIKRIYLI-IEZWGBDMSA-N 2 1 315.461 2.298 10 0 DEAEMP CC[S@](=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680762 793001168 /nfs/dbraw/zinc/00/11/68/793001168.db2.gz UMTUIDPLJUMZDU-ORGXJRBJSA-N 2 1 320.502 2.398 10 0 DEAEMP COCC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000042230137 1078293175 /nfs/dbraw/zinc/29/31/75/1078293175.db2.gz KANDBAGKLRQNJZ-UHFFFAOYSA-N 2 1 302.422 2.135 10 0 DEAEMP [NH3+]C[C@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000720844123 1086289265 /nfs/dbraw/zinc/28/92/65/1086289265.db2.gz IBTSFAOYKRAANH-UONOGXRCSA-N 2 1 302.340 2.272 10 0 DEAEMP [NH3+]C[C@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000720844123 1086289281 /nfs/dbraw/zinc/28/92/81/1086289281.db2.gz IBTSFAOYKRAANH-UONOGXRCSA-N 2 1 302.340 2.272 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000710881867 1086690852 /nfs/dbraw/zinc/69/08/52/1086690852.db2.gz HJQQNDZOQZJLRD-UHFFFAOYSA-N 2 1 311.470 2.317 10 0 DEAEMP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000711224122 1087023180 /nfs/dbraw/zinc/02/31/80/1087023180.db2.gz LFANVUKHMWTFKL-WBVHZDCISA-N 2 1 317.477 2.259 10 0 DEAEMP C[N@@H+](CCn1c(N)[nH+]c2ccc(Br)cc21)C1CC1 ZINC000087837536 185233217 /nfs/dbraw/zinc/23/32/17/185233217.db2.gz ZHCJAVVIOFDCLB-UHFFFAOYSA-N 2 1 309.211 2.475 10 0 DEAEMP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)OC1CCOCC1 ZINC000625268374 365707289 /nfs/dbraw/zinc/70/72/89/365707289.db2.gz YFWLSARNKLHUIK-YJBOKZPZSA-N 2 1 308.466 2.131 10 0 DEAEMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268374 365707292 /nfs/dbraw/zinc/70/72/92/365707292.db2.gz YFWLSARNKLHUIK-YJBOKZPZSA-N 2 1 308.466 2.131 10 0 DEAEMP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268374 365707300 /nfs/dbraw/zinc/70/73/00/365707300.db2.gz YFWLSARNKLHUIK-YJBOKZPZSA-N 2 1 308.466 2.131 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000262036133 282248831 /nfs/dbraw/zinc/24/88/31/282248831.db2.gz XZXPRSJQZINOFN-YLFCFFPRSA-N 2 1 323.506 2.098 10 0 DEAEMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000195125227 282369321 /nfs/dbraw/zinc/36/93/21/282369321.db2.gz FOSBUVPCQXQHNS-IRXDYDNUSA-N 2 1 324.513 2.280 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)[nH+]1 ZINC000181712802 199342335 /nfs/dbraw/zinc/34/23/35/199342335.db2.gz HTUYBEXSBLBPAT-RYUDHWBXSA-N 2 1 303.328 2.047 10 0 DEAEMP C[C@@H]([NH2+]CCCc1[nH]cc[nH+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000139366846 186021769 /nfs/dbraw/zinc/02/17/69/186021769.db2.gz YTUPYYNTUKMXLP-GFCCVEGCSA-N 2 1 307.419 2.097 10 0 DEAEMP [NH3+]C1(C[NH2+]Cc2ccc(Br)s2)CCOCC1 ZINC000149811878 186053096 /nfs/dbraw/zinc/05/30/96/186053096.db2.gz VPRXJIZVPLLLEN-UHFFFAOYSA-N 2 1 305.241 2.108 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000174658380 198366554 /nfs/dbraw/zinc/36/65/54/198366554.db2.gz BZRNOORKHGKQJQ-QGZVFWFLSA-N 2 1 305.466 2.007 10 0 DEAEMP CCC[NH+]1CCC(Nc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000092886288 355654249 /nfs/dbraw/zinc/65/42/49/355654249.db2.gz XHUSJTMFBLXIRF-UHFFFAOYSA-N 2 1 300.410 2.257 10 0 DEAEMP Cn1c2ccccc2nc1C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328625312 356462844 /nfs/dbraw/zinc/46/28/44/356462844.db2.gz CYWZGNCTJLGYQB-AWEZNQCLSA-N 2 1 309.417 2.464 10 0 DEAEMP Cn1c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000328625312 356462853 /nfs/dbraw/zinc/46/28/53/356462853.db2.gz CYWZGNCTJLGYQB-AWEZNQCLSA-N 2 1 309.417 2.464 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000629570329 367256366 /nfs/dbraw/zinc/25/63/66/367256366.db2.gz CCKRIXVZPWSFNE-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631837487 368415257 /nfs/dbraw/zinc/41/52/57/368415257.db2.gz BVRKVULLWIZVGA-NWDGAFQWSA-N 2 1 313.239 2.355 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888141 368443959 /nfs/dbraw/zinc/44/39/59/368443959.db2.gz UGTIAMDKDQLFJP-FUHWJXTLSA-N 2 1 304.434 2.156 10 0 DEAEMP C[N@@H+](CC(C)(C)O)[C@@H](CN)c1cccc(Br)c1 ZINC000092958494 193188528 /nfs/dbraw/zinc/18/85/28/193188528.db2.gz CBCRLRFIUPJVRJ-LBPRGKRZSA-N 2 1 301.228 2.152 10 0 DEAEMP COCC[NH2+]CC1(C[N@@H+](C)CC(C)(C)O)CCCCCC1 ZINC000092983284 193191142 /nfs/dbraw/zinc/19/11/42/193191142.db2.gz GDGPKLKNIMBQTE-UHFFFAOYSA-N 2 1 300.487 2.266 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](CC)CCOCC ZINC000093597918 193272857 /nfs/dbraw/zinc/27/28/57/193272857.db2.gz KKMINXWJJBEIHO-SJORKVTESA-N 2 1 300.487 2.266 10 0 DEAEMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643776 193280818 /nfs/dbraw/zinc/28/08/18/193280818.db2.gz WIPCLKWERIDCQP-WBVHZDCISA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643776 193280820 /nfs/dbraw/zinc/28/08/20/193280820.db2.gz WIPCLKWERIDCQP-WBVHZDCISA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643776 193280821 /nfs/dbraw/zinc/28/08/21/193280821.db2.gz WIPCLKWERIDCQP-WBVHZDCISA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643776 193280823 /nfs/dbraw/zinc/28/08/23/193280823.db2.gz WIPCLKWERIDCQP-WBVHZDCISA-N 2 1 313.449 2.490 10 0 DEAEMP CCC([NH3+])(CC)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000094244648 193354415 /nfs/dbraw/zinc/35/44/15/193354415.db2.gz HWPZLHBCHIVGGR-UHFFFAOYSA-N 2 1 309.479 2.300 10 0 DEAEMP [NH3+]C[C@@H](c1cccc(Br)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457557 193370940 /nfs/dbraw/zinc/37/09/40/193370940.db2.gz FWMFXYVJHURSTJ-CABCVRRESA-N 2 1 324.266 2.229 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105217117 194087101 /nfs/dbraw/zinc/08/71/01/194087101.db2.gz SRVZRGYHDRJQTR-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP CCOCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915707 194168402 /nfs/dbraw/zinc/16/84/02/194168402.db2.gz KHKHQNVDKSNNJZ-IBGZPJMESA-N 2 1 320.477 2.400 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000109789822 194285178 /nfs/dbraw/zinc/28/51/78/194285178.db2.gz JAFNAQXCFMCISW-UHFFFAOYSA-N 2 1 321.509 2.443 10 0 DEAEMP COCCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000062034877 184202969 /nfs/dbraw/zinc/20/29/69/184202969.db2.gz CYLYHXBOGRALLX-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP COCCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000062034877 184202971 /nfs/dbraw/zinc/20/29/71/184202971.db2.gz CYLYHXBOGRALLX-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCN(CC)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157922464 197227729 /nfs/dbraw/zinc/22/77/29/197227729.db2.gz MPXXOJPIIUHILQ-IRXDYDNUSA-N 2 1 311.514 2.149 10 0 DEAEMP Cc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C(N)=S)c(C)[nH+]1 ZINC000156700468 197134045 /nfs/dbraw/zinc/13/40/45/197134045.db2.gz YAASRSLNZRQLOQ-WCQYABFASA-N 2 1 304.463 2.006 10 0 DEAEMP Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c(C(N)=S)c(C)[nH+]1 ZINC000156665825 197132330 /nfs/dbraw/zinc/13/23/30/197132330.db2.gz YLHYTMNKAMSCGG-CYBMUJFWSA-N 2 1 306.479 2.475 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C)C1 ZINC000248622438 285365863 /nfs/dbraw/zinc/36/58/63/285365863.db2.gz DFFUMKLGBDUUQF-JKSUJKDBSA-N 2 1 309.498 2.474 10 0 DEAEMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969948 132484415 /nfs/dbraw/zinc/48/44/15/132484415.db2.gz XMYOPMYCDGYBAY-SJLPKXTDSA-N 2 1 321.509 2.489 10 0 DEAEMP C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358243147 133130554 /nfs/dbraw/zinc/13/05/54/133130554.db2.gz WONLCIUBSXUTSJ-CQSZACIVSA-N 2 1 302.422 2.211 10 0 DEAEMP COC(=O)[C@H](C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585909 133279098 /nfs/dbraw/zinc/27/90/98/133279098.db2.gz UYVSGMCMXDWTEQ-KBAYOESNSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585909 133279099 /nfs/dbraw/zinc/27/90/99/133279099.db2.gz UYVSGMCMXDWTEQ-KBAYOESNSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585909 133279100 /nfs/dbraw/zinc/27/91/00/133279100.db2.gz UYVSGMCMXDWTEQ-KBAYOESNSA-N 2 1 316.445 2.249 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000247269538 145131567 /nfs/dbraw/zinc/13/15/67/145131567.db2.gz JVSGPABIGGJRKC-SJORKVTESA-N 2 1 324.513 2.136 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328636 145133490 /nfs/dbraw/zinc/13/34/90/145133490.db2.gz YIRRGRMDFFYJHQ-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328636 145133492 /nfs/dbraw/zinc/13/34/92/145133492.db2.gz YIRRGRMDFFYJHQ-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328636 145133494 /nfs/dbraw/zinc/13/34/94/145133494.db2.gz YIRRGRMDFFYJHQ-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP C[C@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249098059 145178097 /nfs/dbraw/zinc/17/80/97/145178097.db2.gz UIIOSEYSKQWTLX-COSYGPSOSA-N 2 1 315.461 2.282 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549651 145207129 /nfs/dbraw/zinc/20/71/29/145207129.db2.gz OWWSGCVNTPQTPM-MUGJNUQGSA-N 3 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549651 145207131 /nfs/dbraw/zinc/20/71/31/145207131.db2.gz OWWSGCVNTPQTPM-MUGJNUQGSA-N 2 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549651 145207133 /nfs/dbraw/zinc/20/71/33/145207133.db2.gz OWWSGCVNTPQTPM-MUGJNUQGSA-N 2 1 313.489 2.486 10 0 DEAEMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261848687 145233117 /nfs/dbraw/zinc/23/31/17/145233117.db2.gz BAPVAQSQUGXCJF-OTWHNJEPSA-N 2 1 318.461 2.470 10 0 DEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1F ZINC000261966144 145247558 /nfs/dbraw/zinc/24/75/58/145247558.db2.gz QBNBAMBMIMWEBT-IMJJTQAJSA-N 2 1 310.388 2.254 10 0 DEAEMP COCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1F ZINC000261972933 145248202 /nfs/dbraw/zinc/24/82/02/145248202.db2.gz QUKMLICDMMJDTF-KBAYOESNSA-N 2 1 322.424 2.219 10 0 DEAEMP COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1F ZINC000261972930 145248668 /nfs/dbraw/zinc/24/86/68/145248668.db2.gz QUKMLICDMMJDTF-JQHSSLGASA-N 2 1 322.424 2.219 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccc(F)cc1 ZINC000262036136 145255338 /nfs/dbraw/zinc/25/53/38/145255338.db2.gz XZZUHVNNGBRWEK-PILAGYSTSA-N 2 1 322.424 2.340 10 0 DEAEMP Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262053999 145257849 /nfs/dbraw/zinc/25/78/49/145257849.db2.gz ZZBFAIRURDYGCT-BRWVUGGUSA-N 2 1 310.388 2.254 10 0 DEAEMP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000359386944 147319127 /nfs/dbraw/zinc/31/91/27/147319127.db2.gz DCPWKERZAYJGLG-WDSOQIARSA-N 2 1 318.461 2.292 10 0 DEAEMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000370763670 148053597 /nfs/dbraw/zinc/05/35/97/148053597.db2.gz NPVAWLWUNCAOQL-ROUUACIJSA-N 2 1 315.461 2.014 10 0 DEAEMP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2cccc(F)c2n1 ZINC000130261002 401825063 /nfs/dbraw/zinc/82/50/63/401825063.db2.gz WQPXTAIIOABKJS-JKSUJKDBSA-N 2 1 301.365 2.202 10 0 DEAEMP Cc1cc(N2C[C@H]3OCCN(C)[C@H]3C2)c2cccc(F)c2n1 ZINC000130261002 401825066 /nfs/dbraw/zinc/82/50/66/401825066.db2.gz WQPXTAIIOABKJS-JKSUJKDBSA-N 2 1 301.365 2.202 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000132331454 401865753 /nfs/dbraw/zinc/86/57/53/401865753.db2.gz JVSGPABIGGJRKC-DLBZAZTESA-N 2 1 324.513 2.136 10 0 DEAEMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003946 401977874 /nfs/dbraw/zinc/97/78/74/401977874.db2.gz KOUPXTWVSDHLJM-HZPDHXFCSA-N 2 1 320.481 2.225 10 0 DEAEMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003946 401977875 /nfs/dbraw/zinc/97/78/75/401977875.db2.gz KOUPXTWVSDHLJM-HZPDHXFCSA-N 2 1 320.481 2.225 10 0 DEAEMP [NH3+]CCC[C@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000142649170 401990590 /nfs/dbraw/zinc/99/05/90/401990590.db2.gz CZKAFDAWTJPERP-SFHVURJKSA-N 2 1 310.397 2.408 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000052519279 402042982 /nfs/dbraw/zinc/04/29/82/402042982.db2.gz VOUBRMHTYLJLEH-SJORKVTESA-N 2 1 318.465 2.073 10 0 DEAEMP COc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123286180 402119693 /nfs/dbraw/zinc/11/96/93/402119693.db2.gz WAICJHOTXARACC-KBPBESRZSA-N 2 1 305.422 2.048 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000123468419 402129235 /nfs/dbraw/zinc/12/92/35/402129235.db2.gz YEHTWCUMEPPRAF-GVDBMIGSSA-N 2 1 324.513 2.135 10 0 DEAEMP C[C@@H]1C[N@H+](CC2CCN(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000153461629 402146663 /nfs/dbraw/zinc/14/66/63/402146663.db2.gz KWXZJKIPNUPQJE-HDICACEKSA-N 2 1 323.525 2.294 10 0 DEAEMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000153461629 402146665 /nfs/dbraw/zinc/14/66/65/402146665.db2.gz KWXZJKIPNUPQJE-HDICACEKSA-N 3 1 323.525 2.294 10 0 DEAEMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000153461629 402146668 /nfs/dbraw/zinc/14/66/68/402146668.db2.gz KWXZJKIPNUPQJE-HDICACEKSA-N 3 1 323.525 2.294 10 0 DEAEMP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918373 402211234 /nfs/dbraw/zinc/21/12/34/402211234.db2.gz AYHDFMRFRDWXKZ-OAHLLOKOSA-N 2 1 318.465 2.076 10 0 DEAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655187 402289165 /nfs/dbraw/zinc/28/91/65/402289165.db2.gz IHFNMYLBOSZHQM-DLBZAZTESA-N 2 1 309.498 2.046 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655187 402289167 /nfs/dbraw/zinc/28/91/67/402289167.db2.gz IHFNMYLBOSZHQM-DLBZAZTESA-N 2 1 309.498 2.046 10 0 DEAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000178295739 402481053 /nfs/dbraw/zinc/48/10/53/402481053.db2.gz MJHFXNJSFUYPPP-MRXNPFEDSA-N 2 1 304.438 2.059 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000178295739 402481059 /nfs/dbraw/zinc/48/10/59/402481059.db2.gz MJHFXNJSFUYPPP-MRXNPFEDSA-N 2 1 304.438 2.059 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000178312412 402483608 /nfs/dbraw/zinc/48/36/08/402483608.db2.gz CTOTUSMAVXIXDS-UXLLHSPISA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000178312412 402483609 /nfs/dbraw/zinc/48/36/09/402483609.db2.gz CTOTUSMAVXIXDS-UXLLHSPISA-N 2 1 318.465 2.160 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)[C@H](C)C1 ZINC000246825004 402546057 /nfs/dbraw/zinc/54/60/57/402546057.db2.gz NXEJOYADSBKPSV-LMMKCTJWSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C)c2)[C@H](C)C1 ZINC000246825004 402546061 /nfs/dbraw/zinc/54/60/61/402546061.db2.gz NXEJOYADSBKPSV-LMMKCTJWSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C)c2)[C@H](C)C1 ZINC000246825004 402546063 /nfs/dbraw/zinc/54/60/63/402546063.db2.gz NXEJOYADSBKPSV-LMMKCTJWSA-N 2 1 320.477 2.397 10 0 DEAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178676559 402525382 /nfs/dbraw/zinc/52/53/82/402525382.db2.gz JKGRDWVAPXZARI-IXDOHACOSA-N 2 1 309.498 2.201 10 0 DEAEMP Cc1cc(NC(=O)C2CC[NH+](CCC[NH+]3CCCC3)CC2)no1 ZINC000170794156 402526381 /nfs/dbraw/zinc/52/63/81/402526381.db2.gz TXPRHNWCURGMER-UHFFFAOYSA-N 2 1 320.437 2.119 10 0 DEAEMP CC(C)[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179227799 402582235 /nfs/dbraw/zinc/58/22/35/402582235.db2.gz GUKPLYCLYQDBNC-VPSFDDGASA-N 2 1 307.482 2.048 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248485751 402593298 /nfs/dbraw/zinc/59/32/98/402593298.db2.gz KVMUYEMLWNNDNG-IKGGRYGDSA-N 2 1 324.513 2.279 10 0 DEAEMP c1nc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814019 402717760 /nfs/dbraw/zinc/71/77/60/402717760.db2.gz PZKSCXJVZZNGEA-JKSUJKDBSA-N 2 1 302.466 2.398 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174522063 402745351 /nfs/dbraw/zinc/74/53/51/402745351.db2.gz UBGAQOAQYZWPQZ-WBVHZDCISA-N 2 1 324.513 2.233 10 0 DEAEMP C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262100168 402722389 /nfs/dbraw/zinc/72/23/89/402722389.db2.gz VNDUNXHVQZKWJK-WBVHZDCISA-N 2 1 323.506 2.053 10 0 DEAEMP C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262100168 402722390 /nfs/dbraw/zinc/72/23/90/402722390.db2.gz VNDUNXHVQZKWJK-WBVHZDCISA-N 2 1 323.506 2.053 10 0 DEAEMP C[C@@H](CCNC(=O)c1c[nH+]ccc1N(C)C)[NH+]1CCCCC1 ZINC000184441645 402843771 /nfs/dbraw/zinc/84/37/71/402843771.db2.gz UIPNCZOOYKKBDA-AWEZNQCLSA-N 2 1 304.438 2.142 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000175728906 402827370 /nfs/dbraw/zinc/82/73/70/402827370.db2.gz ZQOZBGKVZCJNPJ-CZUORRHYSA-N 2 1 307.413 2.426 10 0 DEAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000195049508 402829283 /nfs/dbraw/zinc/82/92/83/402829283.db2.gz YHHCLRIYWKTISU-IRXDYDNUSA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000195049508 402829285 /nfs/dbraw/zinc/82/92/85/402829285.db2.gz YHHCLRIYWKTISU-IRXDYDNUSA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000195049508 402829287 /nfs/dbraw/zinc/82/92/87/402829287.db2.gz YHHCLRIYWKTISU-IRXDYDNUSA-N 2 1 324.513 2.280 10 0 DEAEMP CCc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc(C)[nH+]1 ZINC000302069678 403708265 /nfs/dbraw/zinc/70/82/65/403708265.db2.gz DUNQRRKNPWZICJ-QGZVFWFLSA-N 2 1 318.465 2.429 10 0 DEAEMP CNC(=O)c1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283732 405057778 /nfs/dbraw/zinc/05/77/78/405057778.db2.gz BSNQIOBHGGRTQB-AWEZNQCLSA-N 2 1 301.434 2.010 10 0 DEAEMP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000638079189 406558666 /nfs/dbraw/zinc/55/86/66/406558666.db2.gz CHOYSEPFVYTAPY-ZWKOTPCHSA-N 2 1 313.445 2.205 10 0 DEAEMP C[NH+](C)C1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000193413310 424868283 /nfs/dbraw/zinc/86/82/83/424868283.db2.gz FFNVBRVWQGAAMW-UHFFFAOYSA-N 2 1 321.490 2.049 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397304636 269105605 /nfs/dbraw/zinc/10/56/05/269105605.db2.gz GFKASXNMJQTFGR-BQFCYCMXSA-N 2 1 317.477 2.340 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397304636 269105607 /nfs/dbraw/zinc/10/56/07/269105607.db2.gz GFKASXNMJQTFGR-BQFCYCMXSA-N 2 1 317.477 2.340 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398073574 269107991 /nfs/dbraw/zinc/10/79/91/269107991.db2.gz DZQYHLYNMGHBCL-YTQUADARSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398073574 269107993 /nfs/dbraw/zinc/10/79/93/269107993.db2.gz DZQYHLYNMGHBCL-YTQUADARSA-N 3 1 319.493 2.241 10 0 DEAEMP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000194670107 277149637 /nfs/dbraw/zinc/14/96/37/277149637.db2.gz NTMPYODEGVUKKG-UHFFFAOYSA-N 2 1 322.497 2.129 10 0 DEAEMP COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261999799 277613020 /nfs/dbraw/zinc/61/30/20/277613020.db2.gz UKDWXEBKEZZNJY-KURKYZTESA-N 2 1 304.434 2.080 10 0 DEAEMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccc(F)cc2C1 ZINC000184533937 278055333 /nfs/dbraw/zinc/05/53/33/278055333.db2.gz WCHGWAAAKWSOKE-SFHVURJKSA-N 2 1 319.424 2.303 10 0 DEAEMP COc1ccccc1[C@H](CNC1=[NH+]CCCN1)[NH+]1CCCCC1 ZINC000261721916 278062024 /nfs/dbraw/zinc/06/20/24/278062024.db2.gz FXHOMEGGYDIPBY-INIZCTEOSA-N 2 1 316.449 2.161 10 0 DEAEMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261961618 280479001 /nfs/dbraw/zinc/47/90/01/280479001.db2.gz PQYPASYQXMKVFS-KURKYZTESA-N 2 1 300.446 2.465 10 0 DEAEMP C[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261928918 536450263 /nfs/dbraw/zinc/45/02/63/536450263.db2.gz CBGWTMYXLSVOMI-WFASDCNBSA-N 2 1 324.831 2.411 10 0 DEAEMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256640 535493189 /nfs/dbraw/zinc/49/31/89/535493189.db2.gz UZAGUURRJDMCHJ-FUHWJXTLSA-N 2 1 317.477 2.498 10 0 DEAEMP C[C@]1(CNC[C@@H](O)C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000309915283 625243384 /nfs/dbraw/zinc/24/33/84/625243384.db2.gz UDBYRXCSULZACK-HUUCEWRRSA-N 2 1 316.367 2.411 10 0 DEAEMP C[C@]1(C[NH2+]C[C@@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000309915283 625243391 /nfs/dbraw/zinc/24/33/91/625243391.db2.gz UDBYRXCSULZACK-HUUCEWRRSA-N 2 1 316.367 2.411 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)O2 ZINC000386910550 685419724 /nfs/dbraw/zinc/41/97/24/685419724.db2.gz KEAYNOKUMVGVQU-HRCADAONSA-N 2 1 302.418 2.290 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)O2 ZINC000386910550 685419727 /nfs/dbraw/zinc/41/97/27/685419727.db2.gz KEAYNOKUMVGVQU-HRCADAONSA-N 2 1 302.418 2.290 10 0 DEAEMP CO[C@@](C)(CO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634419 792982775 /nfs/dbraw/zinc/98/27/75/792982775.db2.gz AVZVBDJXJYSYGJ-CADBVGFASA-N 2 1 318.461 2.027 10 0 DEAEMP COCC(COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712020 793002670 /nfs/dbraw/zinc/00/26/70/793002670.db2.gz JAGLOVTWRAMDIH-SCTDSRPQSA-N 2 1 318.461 2.291 10 0 DEAEMP [NH3+]C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000720844122 1086289859 /nfs/dbraw/zinc/28/98/59/1086289859.db2.gz IBTSFAOYKRAANH-KGLIPLIRSA-N 2 1 302.340 2.272 10 0 DEAEMP [NH3+]C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000720844122 1086289867 /nfs/dbraw/zinc/28/98/67/1086289867.db2.gz IBTSFAOYKRAANH-KGLIPLIRSA-N 2 1 302.340 2.272 10 0 DEAEMP COC1(OC)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968393 1086692635 /nfs/dbraw/zinc/69/26/35/1086692635.db2.gz SWRJQSGYDACMKW-IAGOWNOFSA-N 2 1 304.434 2.250 10 0 DEAEMP COC1(OC)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000710968393 1086692636 /nfs/dbraw/zinc/69/26/36/1086692636.db2.gz SWRJQSGYDACMKW-IAGOWNOFSA-N 2 1 304.434 2.250 10 0 DEAEMP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCOCC1 ZINC000625268369 365707779 /nfs/dbraw/zinc/70/77/79/365707779.db2.gz YFWLSARNKLHUIK-CRAIPNDOSA-N 2 1 308.466 2.131 10 0 DEAEMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268369 365707784 /nfs/dbraw/zinc/70/77/84/365707784.db2.gz YFWLSARNKLHUIK-CRAIPNDOSA-N 2 1 308.466 2.131 10 0 DEAEMP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268369 365707788 /nfs/dbraw/zinc/70/77/88/365707788.db2.gz YFWLSARNKLHUIK-CRAIPNDOSA-N 2 1 308.466 2.131 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416100 282386053 /nfs/dbraw/zinc/38/60/53/282386053.db2.gz DXKSLLPEGUZQFI-WMLDXEAASA-N 2 1 321.440 2.104 10 0 DEAEMP CC[NH2+][C@H]1COC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000148336335 186044624 /nfs/dbraw/zinc/04/46/24/186044624.db2.gz YHGXEZNZPBUEIB-ONGXEEELSA-N 2 1 319.268 2.225 10 0 DEAEMP CCC[NH2+]C[C@H]1COCCN1c1cc[nH+]cc1Br ZINC000164157302 186150357 /nfs/dbraw/zinc/15/03/57/186150357.db2.gz OZDGPMUFMJMZNJ-NSHDSACASA-N 2 1 314.227 2.049 10 0 DEAEMP COc1cccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173529609 198224419 /nfs/dbraw/zinc/22/44/19/198224419.db2.gz ZZVFUKCJRVMKMW-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173529609 198224420 /nfs/dbraw/zinc/22/44/20/198224420.db2.gz ZZVFUKCJRVMKMW-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173529609 198224422 /nfs/dbraw/zinc/22/44/22/198224422.db2.gz ZZVFUKCJRVMKMW-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173529609 198224423 /nfs/dbraw/zinc/22/44/23/198224423.db2.gz ZZVFUKCJRVMKMW-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776686 198383292 /nfs/dbraw/zinc/38/32/92/198383292.db2.gz VCWKNBLHNLHKDJ-AEFFLSMTSA-N 2 1 317.477 2.307 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775341 198383516 /nfs/dbraw/zinc/38/35/16/198383516.db2.gz AVDKHRUMLQZBEC-RHSMWYFYSA-N 2 1 319.449 2.296 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000174776701 198383527 /nfs/dbraw/zinc/38/35/27/198383527.db2.gz VCWKNBLHNLHKDJ-SJLPKXTDSA-N 2 1 317.477 2.307 10 0 DEAEMP C[C@H]([NH3+])CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404289811 540144306 /nfs/dbraw/zinc/14/43/06/540144306.db2.gz AHLONDZKHMSVBE-VGWMRTNUSA-N 2 1 303.450 2.234 10 0 DEAEMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000404296043 540144634 /nfs/dbraw/zinc/14/46/34/540144634.db2.gz CYBVNEGOVQDBJR-LISAXSMJSA-N 2 1 315.461 2.106 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180490550 199166224 /nfs/dbraw/zinc/16/62/24/199166224.db2.gz RJQNBVXBHLPOOF-RDTXWAMCSA-N 2 1 314.433 2.162 10 0 DEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000195271157 201371948 /nfs/dbraw/zinc/37/19/48/201371948.db2.gz UBZMQMCAGLSBMB-IBGZPJMESA-N 2 1 316.493 2.321 10 0 DEAEMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCO[C@H]1c1cn[nH]c1 ZINC000623769214 365167863 /nfs/dbraw/zinc/16/78/63/365167863.db2.gz PQDJGRZSIJAUKU-SUMWQHHRSA-N 2 1 315.421 2.128 10 0 DEAEMP C[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721367 193096736 /nfs/dbraw/zinc/09/67/36/193096736.db2.gz XWLJAFJDQAYHFV-FVQBIDKESA-N 2 1 312.816 2.473 10 0 DEAEMP C[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721367 193096738 /nfs/dbraw/zinc/09/67/38/193096738.db2.gz XWLJAFJDQAYHFV-FVQBIDKESA-N 2 1 312.816 2.473 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CCC[NH3+] ZINC000262636321 203360811 /nfs/dbraw/zinc/36/08/11/203360811.db2.gz HSMBUCJUJCRZOO-MNZLEMJZSA-N 2 1 317.477 2.340 10 0 DEAEMP CC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@@H+](CCOC)CC(C)C ZINC000093617319 193275255 /nfs/dbraw/zinc/27/52/55/193275255.db2.gz SWIZLCKRIKPPOR-DLBZAZTESA-N 2 1 300.487 2.122 10 0 DEAEMP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](CCOC)CC(C)C ZINC000093617316 193275702 /nfs/dbraw/zinc/27/57/02/193275702.db2.gz SWIZLCKRIKPPOR-SJORKVTESA-N 2 1 300.487 2.122 10 0 DEAEMP OC[C@]1([NH2+]C2CC2)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093857506 193319772 /nfs/dbraw/zinc/31/97/72/193319772.db2.gz QEXPFDGUEVTWMZ-KGLIPLIRSA-N 2 1 306.372 2.296 10 0 DEAEMP CC[NH2+]Cc1nc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cs1 ZINC000094443695 193369746 /nfs/dbraw/zinc/36/97/46/193369746.db2.gz PQGRKPDQERIYDG-ZFWWWQNUSA-N 2 1 308.495 2.311 10 0 DEAEMP C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000043284393 183350582 /nfs/dbraw/zinc/35/05/82/183350582.db2.gz UVZPUVAQXAQHLZ-CABZTGNLSA-N 2 1 318.284 2.146 10 0 DEAEMP CC[NH2+]Cc1c(N2CC[N@@H+](C)C(C)(C)C2)nc2sccn12 ZINC000110731129 194354486 /nfs/dbraw/zinc/35/44/86/194354486.db2.gz TYDNEDXVCGCDHC-UHFFFAOYSA-N 2 1 307.467 2.036 10 0 DEAEMP CCOCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000157467542 197190376 /nfs/dbraw/zinc/19/03/76/197190376.db2.gz ZONLXZYNRNATGJ-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000157467542 197190377 /nfs/dbraw/zinc/19/03/77/197190377.db2.gz ZONLXZYNRNATGJ-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000538315129 285031382 /nfs/dbraw/zinc/03/13/82/285031382.db2.gz DPSJNVUGPGBGCY-QGZVFWFLSA-N 2 1 303.450 2.061 10 0 DEAEMP CCC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000158753071 197299453 /nfs/dbraw/zinc/29/94/53/197299453.db2.gz SHIGKSJNLLKSCR-HNNXBMFYSA-N 2 1 310.463 2.041 10 0 DEAEMP CCC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000158753071 197299454 /nfs/dbraw/zinc/29/94/54/197299454.db2.gz SHIGKSJNLLKSCR-HNNXBMFYSA-N 2 1 310.463 2.041 10 0 DEAEMP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2ccsc2)[C@H]2CCCO[C@@H]12 ZINC000247953223 257114093 /nfs/dbraw/zinc/11/40/93/257114093.db2.gz CKTPBGSPCYDHEG-ARFHVFGLSA-N 2 1 310.463 2.058 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261930919 285520613 /nfs/dbraw/zinc/52/06/13/285520613.db2.gz LRSOFNUCDBZMPP-DDBAPUKQSA-N 2 1 316.445 2.299 10 0 DEAEMP C[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000358246759 133130951 /nfs/dbraw/zinc/13/09/51/133130951.db2.gz KTHXQZFTTPMZST-CQSZACIVSA-N 2 1 302.422 2.211 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416880 133180661 /nfs/dbraw/zinc/18/06/61/133180661.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@H+](CC)C2)[C@H](C)C1 ZINC000360416880 133180662 /nfs/dbraw/zinc/18/06/62/133180662.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](CC)C2)[C@H](C)C1 ZINC000360416880 133180663 /nfs/dbraw/zinc/18/06/63/133180663.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416880 133180664 /nfs/dbraw/zinc/18/06/64/133180664.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416880 133180665 /nfs/dbraw/zinc/18/06/65/133180665.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@H](C)C1 ZINC000360416880 133180666 /nfs/dbraw/zinc/18/06/66/133180666.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)[C@H](C)C1 ZINC000360416880 133180667 /nfs/dbraw/zinc/18/06/67/133180667.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 3 1 311.514 2.055 10 0 DEAEMP c1ccc(-c2noc(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000563800518 292073774 /nfs/dbraw/zinc/07/37/74/292073774.db2.gz VFSUOUOGMNWOLP-GOSISDBHSA-N 2 1 312.417 2.355 10 0 DEAEMP c1cc(OCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCO2 ZINC000564986293 292124783 /nfs/dbraw/zinc/12/47/83/292124783.db2.gz LLXNTOOYSDTACM-GOSISDBHSA-N 2 1 318.417 2.260 10 0 DEAEMP Cc1cnc(CC[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191596203 145061426 /nfs/dbraw/zinc/06/14/26/145061426.db2.gz JWUCPHLXQLKODU-UHFFFAOYSA-N 2 1 324.538 2.342 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246815530 145115235 /nfs/dbraw/zinc/11/52/35/145115235.db2.gz DJBJBOFTWIZPHI-ZACQAIPSSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246815530 145115236 /nfs/dbraw/zinc/11/52/36/145115236.db2.gz DJBJBOFTWIZPHI-ZACQAIPSSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246815530 145115238 /nfs/dbraw/zinc/11/52/38/145115238.db2.gz DJBJBOFTWIZPHI-ZACQAIPSSA-N 2 1 324.513 2.279 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247109059 145126556 /nfs/dbraw/zinc/12/65/56/145126556.db2.gz YIFDHXMQHBUOAN-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247109059 145126557 /nfs/dbraw/zinc/12/65/57/145126557.db2.gz YIFDHXMQHBUOAN-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247109059 145126558 /nfs/dbraw/zinc/12/65/58/145126558.db2.gz YIFDHXMQHBUOAN-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247109059 145126559 /nfs/dbraw/zinc/12/65/59/145126559.db2.gz YIFDHXMQHBUOAN-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000248747549 145166471 /nfs/dbraw/zinc/16/64/71/145166471.db2.gz UCJWMZFANCMDGM-WMLDXEAASA-N 2 1 307.482 2.050 10 0 DEAEMP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249882116 145191144 /nfs/dbraw/zinc/19/11/44/145191144.db2.gz NTSGHNSMKFFUIM-HOTGVXAUSA-N 2 1 318.465 2.429 10 0 DEAEMP C[N@H+]1CCC[C@@H]2CN(Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802504 145200943 /nfs/dbraw/zinc/20/09/43/145200943.db2.gz MQNBGWQCAGTPSE-NVXWUHKLSA-N 2 1 311.433 2.388 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261857104 145235115 /nfs/dbraw/zinc/23/51/15/145235115.db2.gz BSVCZDKNFLCIIL-QBPKDAKJSA-N 2 1 324.852 2.120 10 0 DEAEMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261912202 145241006 /nfs/dbraw/zinc/24/10/06/145241006.db2.gz JEGINAMEVGPXIB-RCCFBDPRSA-N 2 1 304.434 2.332 10 0 DEAEMP CC(C)[N@H+]1CCc2nc(CN3CC[C@H]([NH3+])C(C)(C)C3)sc2C1 ZINC000261918200 145241829 /nfs/dbraw/zinc/24/18/29/145241829.db2.gz YJRNCSKLLKHSFS-HNNXBMFYSA-N 2 1 322.522 2.469 10 0 DEAEMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261962645 145247782 /nfs/dbraw/zinc/24/77/82/145247782.db2.gz HKWIQOSSPAFSTH-MRXNPFEDSA-N 2 1 300.431 2.391 10 0 DEAEMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261962645 145247783 /nfs/dbraw/zinc/24/77/83/145247783.db2.gz HKWIQOSSPAFSTH-MRXNPFEDSA-N 2 1 300.431 2.391 10 0 DEAEMP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000262121952 145263559 /nfs/dbraw/zinc/26/35/59/145263559.db2.gz IUJZDQAGMBEBFJ-UUAJXVIYSA-N 2 1 307.482 2.144 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262325570 145276339 /nfs/dbraw/zinc/27/63/39/145276339.db2.gz DIMYIHWJMOWNCU-YVSFHVDLSA-N 2 1 309.498 2.249 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@H]1C ZINC000358648671 147173171 /nfs/dbraw/zinc/17/31/71/147173171.db2.gz MSBDCVWUUWGYTM-IAGOWNOFSA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@H]1C ZINC000358648671 147173172 /nfs/dbraw/zinc/17/31/72/147173172.db2.gz MSBDCVWUUWGYTM-IAGOWNOFSA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@H]1C ZINC000358648671 147173174 /nfs/dbraw/zinc/17/31/74/147173174.db2.gz MSBDCVWUUWGYTM-IAGOWNOFSA-N 2 1 322.497 2.153 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C2 ZINC000375264362 148349823 /nfs/dbraw/zinc/34/98/23/148349823.db2.gz YUBIGSIMESJPDJ-UONOGXRCSA-N 2 1 318.465 2.191 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000375264362 148349826 /nfs/dbraw/zinc/34/98/26/148349826.db2.gz YUBIGSIMESJPDJ-UONOGXRCSA-N 2 1 318.465 2.191 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073654657 401719809 /nfs/dbraw/zinc/71/98/09/401719809.db2.gz KMQFDLIMKLCUAC-JKSUJKDBSA-N 2 1 312.502 2.233 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000073654030 401719958 /nfs/dbraw/zinc/71/99/58/401719958.db2.gz ODMOEZPHLWDPEH-HZPDHXFCSA-N 2 1 312.502 2.090 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000128503570 401780094 /nfs/dbraw/zinc/78/00/94/401780094.db2.gz RCPMTNIWTRFLRA-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132165736 401863317 /nfs/dbraw/zinc/86/33/17/401863317.db2.gz CBDHTNBQNCWUKL-DOTOQJQBSA-N 2 1 324.513 2.136 10 0 DEAEMP CCOc1ccccc1NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000134983938 401922673 /nfs/dbraw/zinc/92/26/73/401922673.db2.gz TWAKYAZNGBSXJV-UHFFFAOYSA-N 2 1 319.449 2.440 10 0 DEAEMP CCCCOC(=O)CN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000151112442 402017043 /nfs/dbraw/zinc/01/70/43/402017043.db2.gz SKBBSCNVMWIZFI-OAHLLOKOSA-N 2 1 305.422 2.467 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000052519278 402043065 /nfs/dbraw/zinc/04/30/65/402043065.db2.gz VOUBRMHTYLJLEH-IRXDYDNUSA-N 2 1 318.465 2.073 10 0 DEAEMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261848683 286182050 /nfs/dbraw/zinc/18/20/50/286182050.db2.gz BAPVAQSQUGXCJF-IPMKNSEASA-N 2 1 318.461 2.470 10 0 DEAEMP C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000124312803 402174414 /nfs/dbraw/zinc/17/44/14/402174414.db2.gz ADNXLJJYNBYUFV-DLXPNOHRSA-N 2 1 309.498 2.484 10 0 DEAEMP CC[N@@H+](CCCC1CC[NH+](CC(C)(C)O)CC1)CC(C)(C)O ZINC000154719462 402227742 /nfs/dbraw/zinc/22/77/42/402227742.db2.gz KPJNHTOPQOIVEU-UHFFFAOYSA-N 2 1 314.514 2.342 10 0 DEAEMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185012213 402316969 /nfs/dbraw/zinc/31/69/69/402316969.db2.gz ZTKBQPATDFHBFF-HNNXBMFYSA-N 2 1 317.437 2.381 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2ccccc2F)CCN1C ZINC000177057742 402364618 /nfs/dbraw/zinc/36/46/18/402364618.db2.gz LBMXIXOWOSJUAK-OIISXLGYSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000177057742 402364624 /nfs/dbraw/zinc/36/46/24/402364624.db2.gz LBMXIXOWOSJUAK-OIISXLGYSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000177057742 402364627 /nfs/dbraw/zinc/36/46/27/402364627.db2.gz LBMXIXOWOSJUAK-OIISXLGYSA-N 2 1 324.440 2.118 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)nc1 ZINC000163454371 402450503 /nfs/dbraw/zinc/45/05/03/402450503.db2.gz FKNGOKXCQXWAFS-NVXWUHKLSA-N 2 1 302.466 2.431 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nc1 ZINC000163454371 402450506 /nfs/dbraw/zinc/45/05/06/402450506.db2.gz FKNGOKXCQXWAFS-NVXWUHKLSA-N 2 1 302.466 2.431 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000177868111 402441604 /nfs/dbraw/zinc/44/16/04/402441604.db2.gz LTJAVRHLRQJMPW-KRWDZBQOSA-N 2 1 324.513 2.092 10 0 DEAEMP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000187297893 402492342 /nfs/dbraw/zinc/49/23/42/402492342.db2.gz MVEPUYPYGLNSOI-LJQANCHMSA-N 2 1 316.493 2.300 10 0 DEAEMP Cc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000187297893 402492343 /nfs/dbraw/zinc/49/23/43/402492343.db2.gz MVEPUYPYGLNSOI-LJQANCHMSA-N 2 1 316.493 2.300 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178847973 402546614 /nfs/dbraw/zinc/54/66/14/402546614.db2.gz RLDRLWZJMNVXKK-HMQMGEFJSA-N 2 1 316.449 2.103 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247073135 402555662 /nfs/dbraw/zinc/55/56/62/402555662.db2.gz YQZCKBMIWITZEO-MSOLQXFVSA-N 2 1 315.461 2.447 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000171192355 402565315 /nfs/dbraw/zinc/56/53/15/402565315.db2.gz MWEAAFWGQJTIGT-XHSDSOJGSA-N 2 1 324.513 2.136 10 0 DEAEMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000171192355 402565318 /nfs/dbraw/zinc/56/53/18/402565318.db2.gz MWEAAFWGQJTIGT-XHSDSOJGSA-N 2 1 324.513 2.136 10 0 DEAEMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000171192355 402565320 /nfs/dbraw/zinc/56/53/20/402565320.db2.gz MWEAAFWGQJTIGT-XHSDSOJGSA-N 2 1 324.513 2.136 10 0 DEAEMP C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246195986 402517761 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Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000190458945 402602119 /nfs/dbraw/zinc/60/21/19/402602119.db2.gz LGJQRXSLFVQDCG-CQSZACIVSA-N 2 1 319.478 2.139 10 0 DEAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000190462559 402603028 /nfs/dbraw/zinc/60/30/28/402603028.db2.gz OBODJKBCSQVZMN-CQSZACIVSA-N 2 1 319.478 2.139 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249088747 402620014 /nfs/dbraw/zinc/62/00/14/402620014.db2.gz NOZUPHJRWQJGSW-RBUKOAKNSA-N 2 1 323.525 2.030 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccco2)N(C)C)CC[N@H+]1C ZINC000173355420 402693926 /nfs/dbraw/zinc/69/39/26/402693926.db2.gz BWXKWESOHQCYLS-ILXRZTDVSA-N 2 1 322.453 2.006 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000173355420 402693929 /nfs/dbraw/zinc/69/39/29/402693929.db2.gz BWXKWESOHQCYLS-ILXRZTDVSA-N 2 1 322.453 2.006 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000173395675 402695958 /nfs/dbraw/zinc/69/59/58/402695958.db2.gz KNCKRNWPPUGNEL-CVEARBPZSA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174770009 402756149 /nfs/dbraw/zinc/75/61/49/402756149.db2.gz OYTUKAFCULEKTI-GVDBMIGSSA-N 2 1 309.498 2.440 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175101161 402779003 /nfs/dbraw/zinc/77/90/03/402779003.db2.gz MSFWFNDQCVGVDA-BRWVUGGUSA-N 2 1 324.513 2.375 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175773795 402831187 /nfs/dbraw/zinc/83/11/87/402831187.db2.gz OQEHQWSTWHEKFK-HOCLYGCPSA-N 2 1 321.469 2.096 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175774886 402831846 /nfs/dbraw/zinc/83/18/46/402831846.db2.gz GCFHJIGKZWLLFF-UHFFFAOYSA-N 2 1 324.513 2.236 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000194131277 402785130 /nfs/dbraw/zinc/78/51/30/402785130.db2.gz GZUJWMUNEXKORO-HNNXBMFYSA-N 2 1 310.486 2.034 10 0 DEAEMP CO[C@@H]1C[NH+](C/C=C\C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342738098 403328454 /nfs/dbraw/zinc/32/84/54/403328454.db2.gz TXEKBEJYXOVQTQ-AVXICVFVSA-N 2 1 310.482 2.256 10 0 DEAEMP CO[C@@H]1C[N@H+](C/C=C\C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342738098 403328459 /nfs/dbraw/zinc/32/84/59/403328459.db2.gz TXEKBEJYXOVQTQ-AVXICVFVSA-N 2 1 310.482 2.256 10 0 DEAEMP CO[C@@H]1C[N@@H+](C/C=C\C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342738098 403328462 /nfs/dbraw/zinc/32/84/62/403328462.db2.gz TXEKBEJYXOVQTQ-AVXICVFVSA-N 2 1 310.482 2.256 10 0 DEAEMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C=O)CC2)[C@@H]1c1cccs1 ZINC000365495673 404676023 /nfs/dbraw/zinc/67/60/23/404676023.db2.gz SDZOUARQJGJIQI-RHSMWYFYSA-N 2 1 321.490 2.341 10 0 DEAEMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C=O)CC2)[C@@H]1c1cccs1 ZINC000365495673 404676030 /nfs/dbraw/zinc/67/60/30/404676030.db2.gz SDZOUARQJGJIQI-RHSMWYFYSA-N 2 1 321.490 2.341 10 0 DEAEMP CCN(CC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637871477 406454811 /nfs/dbraw/zinc/45/48/11/406454811.db2.gz QTRDUTLCZNGSFL-UHFFFAOYSA-N 2 1 303.450 2.238 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000129740022 196071735 /nfs/dbraw/zinc/07/17/35/196071735.db2.gz RIABVMBHYIQLIP-XEZPLFJOSA-N 2 1 310.463 2.081 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000129740022 196071737 /nfs/dbraw/zinc/07/17/37/196071737.db2.gz RIABVMBHYIQLIP-XEZPLFJOSA-N 2 1 310.463 2.081 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194895980 424879709 /nfs/dbraw/zinc/87/97/09/424879709.db2.gz WOOIQXBVEDEXDO-GOEBONIOSA-N 2 1 323.485 2.103 10 0 DEAEMP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000173328260 267473747 /nfs/dbraw/zinc/47/37/47/267473747.db2.gz SZLUGOCZOITGJV-HZPDHXFCSA-N 2 1 312.502 2.229 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659316703 425575783 /nfs/dbraw/zinc/57/57/83/425575783.db2.gz RIYNGQRMXXHZPW-OAHLLOKOSA-N 2 1 315.461 2.285 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246332113 279319227 /nfs/dbraw/zinc/31/92/27/279319227.db2.gz BBKDFGDVBBBMQM-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000154842081 280078365 /nfs/dbraw/zinc/07/83/65/280078365.db2.gz KRGZTAWFVDPKHH-PKOBYXMFSA-N 2 1 317.477 2.498 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000245399078 280099799 /nfs/dbraw/zinc/09/97/99/280099799.db2.gz VNEMZNUDEVWKOF-NVXWUHKLSA-N 2 1 320.481 2.319 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000246996253 288312840 /nfs/dbraw/zinc/31/28/40/288312840.db2.gz PUFSYWGMSSNHPG-PBHICJAKSA-N 2 1 301.434 2.057 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000247535667 297098211 /nfs/dbraw/zinc/09/82/11/297098211.db2.gz XYZKXULLXAJXDV-HIFRSBDPSA-N 2 1 322.497 2.174 10 0 DEAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309902551 535848503 /nfs/dbraw/zinc/84/85/03/535848503.db2.gz PHERICSAWQQECX-CGTJXYLNSA-N 2 1 317.477 2.388 10 0 DEAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261692742 536449750 /nfs/dbraw/zinc/44/97/50/536449750.db2.gz BBWCKLIVTRPCTP-RTBURBONSA-N 2 1 301.478 2.440 10 0 DEAEMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261914324 536646066 /nfs/dbraw/zinc/64/60/66/536646066.db2.gz JKRQAGCGVSYMDL-BRSBDYLESA-N 2 1 322.424 2.260 10 0 DEAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@H]1C(C)C ZINC000888097450 635540596 /nfs/dbraw/zinc/54/05/96/635540596.db2.gz JEWSXVDTOUCYCN-MKXGPGLRSA-N 2 1 317.477 2.349 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000724036827 777224907 /nfs/dbraw/zinc/22/49/07/777224907.db2.gz QKDMZLFKEXNGII-UTLUCORTSA-N 2 1 304.303 2.007 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000724036827 777224913 /nfs/dbraw/zinc/22/49/13/777224913.db2.gz QKDMZLFKEXNGII-UTLUCORTSA-N 2 1 304.303 2.007 10 0 DEAEMP COC[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721729147 781856686 /nfs/dbraw/zinc/85/66/86/781856686.db2.gz VOGNPQZIUFOTCD-MOPGFXCFSA-N 2 1 320.477 2.132 10 0 DEAEMP COC[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721729147 781856697 /nfs/dbraw/zinc/85/66/97/781856697.db2.gz VOGNPQZIUFOTCD-MOPGFXCFSA-N 2 1 320.477 2.132 10 0 DEAEMP Cc1nc[nH]c1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000713341229 792219543 /nfs/dbraw/zinc/21/95/43/792219543.db2.gz CGJZOGMJQAFHHW-CJNGLKHVSA-N 2 1 312.417 2.102 10 0 DEAEMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729470 793003309 /nfs/dbraw/zinc/00/33/09/793003309.db2.gz CIAYLWNORGRUIJ-OWLYRPNTSA-N 2 1 315.461 2.154 10 0 DEAEMP CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729470 793003321 /nfs/dbraw/zinc/00/33/21/793003321.db2.gz CIAYLWNORGRUIJ-OWLYRPNTSA-N 2 1 315.461 2.154 10 0 DEAEMP CN(C)C(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734527 793005315 /nfs/dbraw/zinc/00/53/15/793005315.db2.gz WAYINSSAZODQAH-KSZLIROESA-N 2 1 315.461 2.107 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712011 801844527 /nfs/dbraw/zinc/84/45/27/801844527.db2.gz WBAVZPPDMBXGMV-UKRRQHHQSA-N 2 1 322.453 2.427 10 0 DEAEMP CC(C)([NH3+])CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702052236 1086402316 /nfs/dbraw/zinc/40/23/16/1086402316.db2.gz XLCFJUWJLNMDCW-QFBILLFUSA-N 2 1 315.461 2.094 10 0 DEAEMP CCC[N@H+]1CC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710914541 1086690765 /nfs/dbraw/zinc/69/07/65/1086690765.db2.gz PPEUGODTVKWANR-CQSZACIVSA-N 2 1 311.470 2.175 10 0 DEAEMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000711477394 1087120456 /nfs/dbraw/zinc/12/04/56/1087120456.db2.gz QXQXBNDIGRTKRQ-GASCZTMLSA-N 2 1 309.454 2.141 10 0 DEAEMP [NH3+][C@H]1CCCCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000152665274 186095744 /nfs/dbraw/zinc/09/57/44/186095744.db2.gz SVVLOBNWBDNFLH-MSOLQXFVSA-N 2 1 315.461 2.238 10 0 DEAEMP Cn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273045042 539801280 /nfs/dbraw/zinc/80/12/80/539801280.db2.gz JGSDACYNEDOADO-QXAKKESOSA-N 2 1 310.445 2.420 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000309730797 539878709 /nfs/dbraw/zinc/87/87/09/539878709.db2.gz OZRONCHGRXLOMA-DOTOQJQBSA-N 2 1 303.450 2.013 10 0 DEAEMP CCC[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000236791161 202009941 /nfs/dbraw/zinc/00/99/41/202009941.db2.gz SURFCQUGNYMIQS-ZWKOTPCHSA-N 2 1 315.461 2.252 10 0 DEAEMP CCC[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000236791161 202009944 /nfs/dbraw/zinc/00/99/44/202009944.db2.gz SURFCQUGNYMIQS-ZWKOTPCHSA-N 2 1 315.461 2.252 10 0 DEAEMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399548406 283153263 /nfs/dbraw/zinc/15/32/63/283153263.db2.gz BJLQOIJCTRWXBC-INMHGKMJSA-N 2 1 305.466 2.243 10 0 DEAEMP CCC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000236941497 202082503 /nfs/dbraw/zinc/08/25/03/202082503.db2.gz SURFCQUGNYMIQS-QZTJIDSGSA-N 2 1 315.461 2.252 10 0 DEAEMP CCC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000236941497 202082506 /nfs/dbraw/zinc/08/25/06/202082506.db2.gz SURFCQUGNYMIQS-QZTJIDSGSA-N 2 1 315.461 2.252 10 0 DEAEMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180153110 199123864 /nfs/dbraw/zinc/12/38/64/199123864.db2.gz WSKJKHXLBXQSFU-PKOBYXMFSA-N 2 1 315.461 2.280 10 0 DEAEMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180152948 199124230 /nfs/dbraw/zinc/12/42/30/199124230.db2.gz WSKJKHXLBXQSFU-IEBWSBKVSA-N 2 1 315.461 2.280 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093190 240036591 /nfs/dbraw/zinc/03/65/91/240036591.db2.gz WKZQHXKMYYCTHI-HUUCEWRRSA-N 2 1 324.490 2.125 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093191 240037028 /nfs/dbraw/zinc/03/70/28/240037028.db2.gz WKZQHXKMYYCTHI-LSDHHAIUSA-N 2 1 324.490 2.125 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093188 240037217 /nfs/dbraw/zinc/03/72/17/240037217.db2.gz WKZQHXKMYYCTHI-CABCVRRESA-N 2 1 324.490 2.125 10 0 DEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631691 193082035 /nfs/dbraw/zinc/08/20/35/193082035.db2.gz MOSNPQKBXYFNMM-LSDHHAIUSA-N 2 1 303.454 2.277 10 0 DEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631691 193082037 /nfs/dbraw/zinc/08/20/37/193082037.db2.gz MOSNPQKBXYFNMM-LSDHHAIUSA-N 2 1 303.454 2.277 10 0 DEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631691 193082038 /nfs/dbraw/zinc/08/20/38/193082038.db2.gz MOSNPQKBXYFNMM-LSDHHAIUSA-N 2 1 303.454 2.277 10 0 DEAEMP CC[N@@H+](CC(=O)Nc1cccnc1Cl)C1CCC([NH3+])CC1 ZINC000091850937 193117509 /nfs/dbraw/zinc/11/75/09/193117509.db2.gz AUEFNMFRRQOKMV-UHFFFAOYSA-N 2 1 310.829 2.265 10 0 DEAEMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C)cc1Br ZINC000629652676 367287288 /nfs/dbraw/zinc/28/72/88/367287288.db2.gz BZZPFLRWFVEANC-UHFFFAOYSA-N 2 1 315.255 2.425 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)cc1Br ZINC000629652676 367287298 /nfs/dbraw/zinc/28/72/98/367287298.db2.gz BZZPFLRWFVEANC-UHFFFAOYSA-N 2 1 315.255 2.425 10 0 DEAEMP CCOC(=O)[C@@]1([NH3+])CCC[C@@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596063 193271453 /nfs/dbraw/zinc/27/14/53/193271453.db2.gz VMZJFWRMDLBBBD-DGCLKSJQSA-N 2 1 310.360 2.321 10 0 DEAEMP CC[NH2+][C@@H]1[C@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430083 193368260 /nfs/dbraw/zinc/36/82/60/193368260.db2.gz HKAUMPAKDNSOKI-UONOGXRCSA-N 2 1 300.487 2.261 10 0 DEAEMP CCCOc1ccc(Cl)cc1C[NH2+]CCC[NH2+]CCO ZINC000020967815 182256916 /nfs/dbraw/zinc/25/69/16/182256916.db2.gz MELKEBMDCYALOF-UHFFFAOYSA-N 2 1 300.830 2.190 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1N ZINC000111130590 194393490 /nfs/dbraw/zinc/39/34/90/194393490.db2.gz BQJZMTBPCDMACQ-UHFFFAOYSA-N 2 1 312.845 2.134 10 0 DEAEMP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014483 184201268 /nfs/dbraw/zinc/20/12/68/184201268.db2.gz NLGJTYCCKDIKST-ZDUSSCGKSA-N 2 1 309.841 2.155 10 0 DEAEMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014483 184201270 /nfs/dbraw/zinc/20/12/70/184201270.db2.gz NLGJTYCCKDIKST-ZDUSSCGKSA-N 2 1 309.841 2.155 10 0 DEAEMP O=C1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347663 296324737 /nfs/dbraw/zinc/32/47/37/296324737.db2.gz IPTLPQXRFPRNSO-QZTJIDSGSA-N 2 1 321.509 2.491 10 0 DEAEMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262043440 285506645 /nfs/dbraw/zinc/50/66/45/285506645.db2.gz YTQBGYDSKSHALC-QXCFHYIPSA-N 2 1 300.446 2.463 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564803591 292111724 /nfs/dbraw/zinc/11/17/24/292111724.db2.gz KGJPRVOUIBQCSX-IAGOWNOFSA-N 2 1 304.459 2.039 10 0 DEAEMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246370084 145100494 /nfs/dbraw/zinc/10/04/94/145100494.db2.gz GMBARYSWMSLSII-ZWKOTPCHSA-N 2 1 315.461 2.376 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCCC(C)C ZINC000246944840 145120192 /nfs/dbraw/zinc/12/01/92/145120192.db2.gz HTBYNHCDOQGFCI-ZBFHGGJFSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCC(C)C ZINC000246944840 145120194 /nfs/dbraw/zinc/12/01/94/145120194.db2.gz HTBYNHCDOQGFCI-ZBFHGGJFSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCCC1 ZINC000246986748 145121794 /nfs/dbraw/zinc/12/17/94/145121794.db2.gz JZPPVHBJRQMEBI-GDBMZVCRSA-N 2 1 304.438 2.057 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCCCC1 ZINC000246986748 145121797 /nfs/dbraw/zinc/12/17/97/145121797.db2.gz JZPPVHBJRQMEBI-GDBMZVCRSA-N 2 1 304.438 2.057 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)CC)C1 ZINC000247082865 145125724 /nfs/dbraw/zinc/12/57/24/145125724.db2.gz HCIABRFJAJXSDY-HUUCEWRRSA-N 2 1 306.454 2.339 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)CC)C1 ZINC000247082865 145125726 /nfs/dbraw/zinc/12/57/26/145125726.db2.gz HCIABRFJAJXSDY-HUUCEWRRSA-N 2 1 306.454 2.339 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000247461940 145137836 /nfs/dbraw/zinc/13/78/36/145137836.db2.gz ULSYNDXYHJTHQT-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000247461940 145137838 /nfs/dbraw/zinc/13/78/38/145137838.db2.gz ULSYNDXYHJTHQT-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000247461940 145137839 /nfs/dbraw/zinc/13/78/39/145137839.db2.gz ULSYNDXYHJTHQT-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+](CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000247522686 145140444 /nfs/dbraw/zinc/14/04/44/145140444.db2.gz ZEZASMBXGIIOLP-JKSUJKDBSA-N 2 1 312.502 2.133 10 0 DEAEMP Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247966205 145145584 /nfs/dbraw/zinc/14/55/84/145145584.db2.gz GUPXRNQTGQKDAV-DOTOQJQBSA-N 2 1 301.434 2.350 10 0 DEAEMP OCC1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248409390 145153023 /nfs/dbraw/zinc/15/30/23/145153023.db2.gz FXDGVNFCNHEOSI-OKZBNKHCSA-N 2 1 300.446 2.402 10 0 DEAEMP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000252744180 145200936 /nfs/dbraw/zinc/20/09/36/145200936.db2.gz VXSAECIQRJLYNZ-GJZGRUSLSA-N 2 1 307.438 2.406 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261540004 145205902 /nfs/dbraw/zinc/20/59/02/145205902.db2.gz DMRFIDYTYFXQJU-QGZVFWFLSA-N 2 1 303.450 2.096 10 0 DEAEMP CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261549213 145206685 /nfs/dbraw/zinc/20/66/85/145206685.db2.gz OJPNJORIIPNBLE-QZTJIDSGSA-N 2 1 315.461 2.252 10 0 DEAEMP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000261767705 145224365 /nfs/dbraw/zinc/22/43/65/145224365.db2.gz MBYFVUKKFYYYBH-IBGZPJMESA-N 2 1 316.493 2.020 10 0 DEAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000261767705 145224367 /nfs/dbraw/zinc/22/43/67/145224367.db2.gz MBYFVUKKFYYYBH-IBGZPJMESA-N 2 1 316.493 2.020 10 0 DEAEMP COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261941016 145245014 /nfs/dbraw/zinc/24/50/14/145245014.db2.gz MUQMMLHMTHWPAR-RCCFBDPRSA-N 2 1 304.434 2.080 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261954427 145246589 /nfs/dbraw/zinc/24/65/89/145246589.db2.gz OTSPTZWKIRGNQG-RCCFBDPRSA-N 2 1 304.434 2.332 10 0 DEAEMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261964479 145248116 /nfs/dbraw/zinc/24/81/16/145248116.db2.gz PYEPHYSXRXCDEE-KZNAEPCWSA-N 2 1 306.425 2.423 10 0 DEAEMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H]1OC ZINC000261976951 145248737 /nfs/dbraw/zinc/24/87/37/145248737.db2.gz RFSHRWHNZISZGI-DMRKSPOLSA-N 2 1 310.482 2.327 10 0 DEAEMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@@H]1OC ZINC000261976956 145248830 /nfs/dbraw/zinc/24/88/30/145248830.db2.gz RFSHRWHNZISZGI-NNXHMXCWSA-N 2 1 310.482 2.327 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000262036130 145255234 /nfs/dbraw/zinc/25/52/34/145255234.db2.gz XZXPRSJQZINOFN-QBPKDAKJSA-N 2 1 323.506 2.098 10 0 DEAEMP C[C@]1(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085371 145261043 /nfs/dbraw/zinc/26/10/43/145261043.db2.gz UGRKNFZUWSIEQX-WBVHZDCISA-N 2 1 320.412 2.021 10 0 DEAEMP C[C@]1(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085371 145261044 /nfs/dbraw/zinc/26/10/44/145261044.db2.gz UGRKNFZUWSIEQX-WBVHZDCISA-N 2 1 320.412 2.021 10 0 DEAEMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262324818 145276762 /nfs/dbraw/zinc/27/67/62/145276762.db2.gz FXRCLKIFNDVHKQ-YQVWRLOYSA-N 2 1 319.493 2.147 10 0 DEAEMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(C)(C)C ZINC000116566752 401854845 /nfs/dbraw/zinc/85/48/45/401854845.db2.gz FWKBSABWECXPGB-HZPDHXFCSA-N 2 1 324.513 2.233 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004011 401978901 /nfs/dbraw/zinc/97/89/01/401978901.db2.gz ZVHDNHWBENUSQJ-HRCADAONSA-N 2 1 320.481 2.368 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004011 401978902 /nfs/dbraw/zinc/97/89/02/401978902.db2.gz ZVHDNHWBENUSQJ-HRCADAONSA-N 2 1 320.481 2.368 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCCN(C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCN1C ZINC000123141918 402112645 /nfs/dbraw/zinc/11/26/45/402112645.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 2 1 324.557 2.206 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C ZINC000123141918 402112647 /nfs/dbraw/zinc/11/26/47/402112647.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 2 1 324.557 2.206 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C ZINC000123141918 402112651 /nfs/dbraw/zinc/11/26/51/402112651.db2.gz HPPJETFXQSHNBX-NCXUSEDFSA-N 2 1 324.557 2.206 10 0 DEAEMP COc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123285991 402119670 /nfs/dbraw/zinc/11/96/70/402119670.db2.gz WAICJHOTXARACC-KGLIPLIRSA-N 2 1 305.422 2.048 10 0 DEAEMP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000153140880 402128979 /nfs/dbraw/zinc/12/89/79/402128979.db2.gz BUFOYLRWCHLRBA-JKSUJKDBSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000153140880 402128980 /nfs/dbraw/zinc/12/89/80/402128980.db2.gz BUFOYLRWCHLRBA-JKSUJKDBSA-N 2 1 303.793 2.407 10 0 DEAEMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123726851 402143406 /nfs/dbraw/zinc/14/34/06/402143406.db2.gz SBLJJZQPXMPCOL-LSDHHAIUSA-N 2 1 318.465 2.122 10 0 DEAEMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123726851 402143407 /nfs/dbraw/zinc/14/34/07/402143407.db2.gz SBLJJZQPXMPCOL-LSDHHAIUSA-N 2 1 318.465 2.122 10 0 DEAEMP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000237143720 402396975 /nfs/dbraw/zinc/39/69/75/402396975.db2.gz FYXMTPWZNDVDTC-CVEARBPZSA-N 2 1 321.852 2.201 10 0 DEAEMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000237143720 402396978 /nfs/dbraw/zinc/39/69/78/402396978.db2.gz FYXMTPWZNDVDTC-CVEARBPZSA-N 2 1 321.852 2.201 10 0 DEAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237078774 402394079 /nfs/dbraw/zinc/39/40/79/402394079.db2.gz PHOKPSAWWDVGER-QAETUUGQSA-N 2 1 307.482 2.240 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000178332615 402485678 /nfs/dbraw/zinc/48/56/78/402485678.db2.gz JCEUHVKZOVULCL-KRWDZBQOSA-N 2 1 324.428 2.245 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000178332615 402485680 /nfs/dbraw/zinc/48/56/80/402485680.db2.gz JCEUHVKZOVULCL-KRWDZBQOSA-N 2 1 324.428 2.245 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246756388 402543964 /nfs/dbraw/zinc/54/39/64/402543964.db2.gz MLTNJHLGHKGBDC-GVDBMIGSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246756388 402543968 /nfs/dbraw/zinc/54/39/68/402543968.db2.gz MLTNJHLGHKGBDC-GVDBMIGSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246756388 402543970 /nfs/dbraw/zinc/54/39/70/402543970.db2.gz MLTNJHLGHKGBDC-GVDBMIGSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000246970964 402551784 /nfs/dbraw/zinc/55/17/84/402551784.db2.gz JKGRDWVAPXZARI-IKGGRYGDSA-N 2 1 309.498 2.201 10 0 DEAEMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000179143254 402575743 /nfs/dbraw/zinc/57/57/43/402575743.db2.gz JOUIURYBQDOXNV-KRWDZBQOSA-N 2 1 315.461 2.109 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246406439 402529300 /nfs/dbraw/zinc/52/93/00/402529300.db2.gz LQPBHMDPEGZRNY-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246406439 402529303 /nfs/dbraw/zinc/52/93/03/402529303.db2.gz LQPBHMDPEGZRNY-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246406439 402529307 /nfs/dbraw/zinc/52/93/07/402529307.db2.gz LQPBHMDPEGZRNY-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246512824 402534731 /nfs/dbraw/zinc/53/47/31/402534731.db2.gz QPFIHTHLOVIRLV-YALNPMBYSA-N 2 1 303.450 2.264 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000249748058 402640097 /nfs/dbraw/zinc/64/00/97/402640097.db2.gz AJMXIMNFPBYHDT-IAGOWNOFSA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249748058 402640099 /nfs/dbraw/zinc/64/00/99/402640099.db2.gz AJMXIMNFPBYHDT-IAGOWNOFSA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249748058 402640102 /nfs/dbraw/zinc/64/01/02/402640102.db2.gz AJMXIMNFPBYHDT-IAGOWNOFSA-N 2 1 324.513 2.282 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261556515 402713826 /nfs/dbraw/zinc/71/38/26/402713826.db2.gz VZRYYMGUALNYND-NVXWUHKLSA-N 2 1 303.450 2.094 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261556515 402713827 /nfs/dbraw/zinc/71/38/27/402713827.db2.gz VZRYYMGUALNYND-NVXWUHKLSA-N 2 1 303.450 2.094 10 0 DEAEMP CO[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182140812 402668465 /nfs/dbraw/zinc/66/84/65/402668465.db2.gz BAHSGLPXPZUSRG-APWZRJJASA-N 2 1 320.477 2.399 10 0 DEAEMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC000174352965 402737934 /nfs/dbraw/zinc/73/79/34/402737934.db2.gz IVLXOJRRMSWYCK-KRWDZBQOSA-N 2 1 324.513 2.375 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760481 402748491 /nfs/dbraw/zinc/74/84/91/402748491.db2.gz YFOBZLHGKDMQHP-RTBURBONSA-N 2 1 323.525 2.030 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263239843 402748945 /nfs/dbraw/zinc/74/89/45/402748945.db2.gz OKQZYRJAQUMYFU-JOYOIKCWSA-N 2 1 308.731 2.029 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263304275 402756206 /nfs/dbraw/zinc/75/62/06/402756206.db2.gz XOWDTJPYYSUREB-CHWSQXEVSA-N 2 1 317.424 2.000 10 0 DEAEMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263316713 402757809 /nfs/dbraw/zinc/75/78/09/402757809.db2.gz ZNKTUJMSGLCSBM-ROUUACIJSA-N 2 1 312.413 2.032 10 0 DEAEMP c1ccc(C[N@@H+]2CCCC[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000262361711 402724901 /nfs/dbraw/zinc/72/49/01/402724901.db2.gz IXPKAPKPTKCUDC-QGZVFWFLSA-N 2 1 300.450 2.228 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000175370046 402800877 /nfs/dbraw/zinc/80/08/77/402800877.db2.gz RCSRJDHIHABVIL-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP CCCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516112 402849678 /nfs/dbraw/zinc/84/96/78/402849678.db2.gz BVNHCMRWKMIRMB-HNNXBMFYSA-N 2 1 304.438 2.040 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C2)[nH+]1 ZINC000195516110 402849822 /nfs/dbraw/zinc/84/98/22/402849822.db2.gz BHLCDXQBJRXFCS-CQSZACIVSA-N 2 1 304.438 2.039 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369879606 404259837 /nfs/dbraw/zinc/25/98/37/404259837.db2.gz BOMZDVZBMJAJQS-IAGOWNOFSA-N 2 1 322.497 2.034 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn2ccccc12 ZINC000378373563 404946397 /nfs/dbraw/zinc/94/63/97/404946397.db2.gz TZVFHFNUIOITCF-NJAFHUGGSA-N 2 1 314.433 2.018 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnn2ccccc12 ZINC000378373563 404946401 /nfs/dbraw/zinc/94/64/01/404946401.db2.gz TZVFHFNUIOITCF-NJAFHUGGSA-N 2 1 314.433 2.018 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390004749 405042524 /nfs/dbraw/zinc/04/25/24/405042524.db2.gz VVHFUMDZXPYKIS-NXHRZFHOSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390004748 405042958 /nfs/dbraw/zinc/04/29/58/405042958.db2.gz VVHFUMDZXPYKIS-NJAFHUGGSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118544 406579358 /nfs/dbraw/zinc/57/93/58/406579358.db2.gz AKHSFJKQKXDBTQ-CRAIPNDOSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306475 406687557 /nfs/dbraw/zinc/68/75/57/406687557.db2.gz CZBROMHKSHCRPU-YJBOKZPZSA-N 2 1 315.461 2.013 10 0 DEAEMP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000130522339 196087094 /nfs/dbraw/zinc/08/70/94/196087094.db2.gz NFTXVFXLDXUYIW-HNNXBMFYSA-N 2 1 307.463 2.082 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000133822594 196338807 /nfs/dbraw/zinc/33/88/07/196338807.db2.gz FYBSMNJMKRZHRA-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000133822594 196338809 /nfs/dbraw/zinc/33/88/09/196338809.db2.gz FYBSMNJMKRZHRA-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000133822594 196338811 /nfs/dbraw/zinc/33/88/11/196338811.db2.gz FYBSMNJMKRZHRA-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000382769453 424910409 /nfs/dbraw/zinc/91/04/09/424910409.db2.gz ZQBKDVDNDUBQQC-APWZRJJASA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390775603 424917901 /nfs/dbraw/zinc/91/79/01/424917901.db2.gz MRIDKQYILKLNCK-NVXWUHKLSA-N 2 1 303.450 2.013 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404327775 424927170 /nfs/dbraw/zinc/92/71/70/424927170.db2.gz WWQUTZLZERHSQM-FUHWJXTLSA-N 2 1 317.477 2.484 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303208613 424892691 /nfs/dbraw/zinc/89/26/91/424892691.db2.gz XQQUKJDWEHMDID-OKZBNKHCSA-N 2 1 315.461 2.142 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C12CCCC2 ZINC000262017822 276353436 /nfs/dbraw/zinc/35/34/36/276353436.db2.gz WIILEQGQYQIVBS-HSFUPAIVSA-N 2 1 322.493 2.471 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000124619486 278025088 /nfs/dbraw/zinc/02/50/88/278025088.db2.gz QKYZJSOREIPEPQ-QZTJIDSGSA-N 3 1 322.541 2.009 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCN1C ZINC000124619486 278025089 /nfs/dbraw/zinc/02/50/89/278025089.db2.gz QKYZJSOREIPEPQ-QZTJIDSGSA-N 2 1 322.541 2.009 10 0 DEAEMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000164534080 278040942 /nfs/dbraw/zinc/04/09/42/278040942.db2.gz BSKJYOFOTSVNAH-OCVGTWLNSA-N 2 1 304.434 2.317 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N(C)c1ccccc1 ZINC000262029014 289693008 /nfs/dbraw/zinc/69/30/08/289693008.db2.gz XHHXQVWMAKWGBZ-OWYHZJEWSA-N 2 1 317.477 2.258 10 0 DEAEMP CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450677480 534789874 /nfs/dbraw/zinc/78/98/74/534789874.db2.gz GNXKDXNTANDOHB-SJCJKPOMSA-N 2 1 301.390 2.171 10 0 DEAEMP C[C@@H](c1ccccn1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000157653654 526115969 /nfs/dbraw/zinc/11/59/69/526115969.db2.gz QFRGURQWOBMDCB-XNHLSEOASA-N 2 1 314.477 2.385 10 0 DEAEMP C[C@@H](c1ccccn1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000157653654 526115977 /nfs/dbraw/zinc/11/59/77/526115977.db2.gz QFRGURQWOBMDCB-XNHLSEOASA-N 2 1 314.477 2.385 10 0 DEAEMP C[N@H+]1CC[C@@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261928917 536450091 /nfs/dbraw/zinc/45/00/91/536450091.db2.gz CBGWTMYXLSVOMI-SWLSCSKDSA-N 2 1 324.831 2.411 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262678357 535138376 /nfs/dbraw/zinc/13/83/76/535138376.db2.gz URCJTKWSGVGMJM-TWMKSMIVSA-N 2 1 307.482 2.001 10 0 DEAEMP CCCc1ccc([C@H](C)[N@H+](CC(N)=O)CC2CC[NH2+]CC2)cc1 ZINC000262116391 535426023 /nfs/dbraw/zinc/42/60/23/535426023.db2.gz BMRDMZZMYYXGEW-HNNXBMFYSA-N 2 1 317.477 2.487 10 0 DEAEMP COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262017652 536806106 /nfs/dbraw/zinc/80/61/06/536806106.db2.gz WFXFDAFYCJWCFG-KSZLIROESA-N 2 1 318.461 2.293 10 0 DEAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(F)c1 ZINC000261933507 536897473 /nfs/dbraw/zinc/89/74/73/536897473.db2.gz LZVLFZCQKRHUGS-OIISXLGYSA-N 2 1 308.397 2.081 10 0 DEAEMP CC[C@H](CNC(=O)[C@H]([NH3+])[C@@H](C)CC)[N@H+]1CCc2ccccc2C1 ZINC000237074390 636552228 /nfs/dbraw/zinc/55/22/28/636552228.db2.gz BODAKCGCSAJPOB-BMGDILEWSA-N 2 1 317.477 2.313 10 0 DEAEMP CN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381899182 685402321 /nfs/dbraw/zinc/40/23/21/685402321.db2.gz VOSVTHJSBDRPNN-KRWDZBQOSA-N 2 1 317.477 2.498 10 0 DEAEMP Cc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc(N)[nH+]1 ZINC000382910813 685405933 /nfs/dbraw/zinc/40/59/33/685405933.db2.gz FQIZGOVBJZYKBD-UHFFFAOYSA-N 2 1 311.433 2.298 10 0 DEAEMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000713040408 792212414 /nfs/dbraw/zinc/21/24/14/792212414.db2.gz FTIAYZPMTTXYSH-INIZCTEOSA-N 2 1 305.466 2.244 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401719546 801845084 /nfs/dbraw/zinc/84/50/84/801845084.db2.gz MUADQMZKPYHZSD-DZGCQCFKSA-N 2 1 311.470 2.316 10 0 DEAEMP CN(Cc1ccc(N)nn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703917448 1086567374 /nfs/dbraw/zinc/56/73/74/1086567374.db2.gz SJLJJHNTSAYVAI-INIZCTEOSA-N 2 1 311.433 2.013 10 0 DEAEMP OCc1c[nH+]ccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705944579 1086628091 /nfs/dbraw/zinc/62/80/91/1086628091.db2.gz IYCYLRPOSQPVLA-HDICACEKSA-N 2 1 309.413 2.142 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)Cc1ccccc1 ZINC000711337047 1087070544 /nfs/dbraw/zinc/07/05/44/1087070544.db2.gz UYQNZDRGLCYYBS-MJGOQNOKSA-N 2 1 315.461 2.157 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1C ZINC000189504012 282312118 /nfs/dbraw/zinc/31/21/18/282312118.db2.gz OOEKVSTZIXJJIW-MNOVXSKESA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1C ZINC000189504012 282312119 /nfs/dbraw/zinc/31/21/19/282312119.db2.gz OOEKVSTZIXJJIW-MNOVXSKESA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189504012 282312120 /nfs/dbraw/zinc/31/21/20/282312120.db2.gz OOEKVSTZIXJJIW-MNOVXSKESA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189504012 282312121 /nfs/dbraw/zinc/31/21/21/282312121.db2.gz OOEKVSTZIXJJIW-MNOVXSKESA-N 2 1 300.340 2.318 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)[nH+]1 ZINC000181712819 199342389 /nfs/dbraw/zinc/34/23/89/199342389.db2.gz HTUYBEXSBLBPAT-NEPJUHHUSA-N 2 1 303.328 2.047 10 0 DEAEMP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)nc(N)[nH+]1 ZINC000072152421 191057409 /nfs/dbraw/zinc/05/74/09/191057409.db2.gz SZHQQYBEMAEHLW-KRWDZBQOSA-N 2 1 301.438 2.070 10 0 DEAEMP CC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@H]1C[N@@H+](C)CCN1C ZINC000149690341 186052267 /nfs/dbraw/zinc/05/22/67/186052267.db2.gz IHSIRDAWDRHFBN-CABCVRRESA-N 2 1 309.523 2.467 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309678307 539878038 /nfs/dbraw/zinc/87/80/38/539878038.db2.gz YCLTYAZGPMXEEM-RTBURBONSA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309678307 539878041 /nfs/dbraw/zinc/87/80/41/539878041.db2.gz YCLTYAZGPMXEEM-RTBURBONSA-N 2 1 319.493 2.242 10 0 DEAEMP CCC(CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000073431487 191316406 /nfs/dbraw/zinc/31/64/06/191316406.db2.gz KETBENFOUSJIKA-MRXNPFEDSA-N 2 1 312.502 2.233 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382730908 540123975 /nfs/dbraw/zinc/12/39/75/540123975.db2.gz BANYIKHONHKCKN-WMZOPIPTSA-N 2 1 317.477 2.483 10 0 DEAEMP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3CO)CC2)cc1C ZINC000169789477 355984062 /nfs/dbraw/zinc/98/40/62/355984062.db2.gz MSBJWKOCPSXQCK-GOSISDBHSA-N 2 1 302.462 2.440 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000175592999 283170557 /nfs/dbraw/zinc/17/05/57/283170557.db2.gz MEJXSEKFAQVZCM-MQVJKMGUSA-N 2 1 310.486 2.033 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175592999 283170558 /nfs/dbraw/zinc/17/05/58/283170558.db2.gz MEJXSEKFAQVZCM-MQVJKMGUSA-N 2 1 310.486 2.033 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000175592999 283170562 /nfs/dbraw/zinc/17/05/62/283170562.db2.gz MEJXSEKFAQVZCM-MQVJKMGUSA-N 2 1 310.486 2.033 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694003 357347101 /nfs/dbraw/zinc/34/71/01/357347101.db2.gz FYVGVRKSMPYNNH-MRXNPFEDSA-N 2 1 320.481 2.120 10 0 DEAEMP Cn1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1=O ZINC000590819429 357619873 /nfs/dbraw/zinc/61/98/73/357619873.db2.gz CTSSXJPLMNAIGZ-SFHVURJKSA-N 2 1 317.477 2.473 10 0 DEAEMP Cn1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1=O ZINC000590819429 357619877 /nfs/dbraw/zinc/61/98/77/357619877.db2.gz CTSSXJPLMNAIGZ-SFHVURJKSA-N 2 1 317.477 2.473 10 0 DEAEMP COC(=O)c1ccccc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000187120125 200064649 /nfs/dbraw/zinc/06/46/49/200064649.db2.gz UUGZYJVSDCNLDA-ZBFHGGJFSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000187120125 200064651 /nfs/dbraw/zinc/06/46/51/200064651.db2.gz UUGZYJVSDCNLDA-ZBFHGGJFSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187120125 200064652 /nfs/dbraw/zinc/06/46/52/200064652.db2.gz UUGZYJVSDCNLDA-ZBFHGGJFSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187120125 200064654 /nfs/dbraw/zinc/06/46/54/200064654.db2.gz UUGZYJVSDCNLDA-ZBFHGGJFSA-N 2 1 304.434 2.430 10 0 DEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000091313765 193037754 /nfs/dbraw/zinc/03/77/54/193037754.db2.gz JCQJCHQVZPIGOC-CQSZACIVSA-N 2 1 313.239 2.259 10 0 DEAEMP CCC[N@H+]1CCc2nc(C(C)(C)N3CC[NH2+]CC3)sc2C1 ZINC000109472926 194267226 /nfs/dbraw/zinc/26/72/26/194267226.db2.gz ZLIFPUIVUGXVQA-UHFFFAOYSA-N 2 1 308.495 2.052 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157525685 197194309 /nfs/dbraw/zinc/19/43/09/197194309.db2.gz QQVRZZUHUPBMCE-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCOC(C)C)C(=O)OC ZINC000157525685 197194311 /nfs/dbraw/zinc/19/43/11/197194311.db2.gz QQVRZZUHUPBMCE-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1ccc(Br)cc1 ZINC000062739656 184252015 /nfs/dbraw/zinc/25/20/15/184252015.db2.gz SKNDMEJYJDEEFS-ZDUSSCGKSA-N 2 1 301.228 2.245 10 0 DEAEMP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000062739656 184252016 /nfs/dbraw/zinc/25/20/16/184252016.db2.gz SKNDMEJYJDEEFS-ZDUSSCGKSA-N 2 1 301.228 2.245 10 0 DEAEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130989 /nfs/dbraw/zinc/13/09/89/133130989.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@@H](NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130990 /nfs/dbraw/zinc/13/09/90/133130990.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[N@H+]1CC[C@@H](NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130991 /nfs/dbraw/zinc/13/09/91/133130991.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[NH+]1CC[C@@H](NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130992 /nfs/dbraw/zinc/13/09/92/133130992.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[NH+]1CC[C@@H](NCC[N@@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130993 /nfs/dbraw/zinc/13/09/93/133130993.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 2 1 323.525 2.365 10 0 DEAEMP CC[C@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468116 133184345 /nfs/dbraw/zinc/18/43/45/133184345.db2.gz UFNSNAQLMOTEJD-LPHOPBHVSA-N 2 1 317.477 2.403 10 0 DEAEMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249865968 145191106 /nfs/dbraw/zinc/19/11/06/145191106.db2.gz HXCOHXJBWUNSLI-HOTGVXAUSA-N 2 1 318.465 2.381 10 0 DEAEMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249869251 145191165 /nfs/dbraw/zinc/19/11/65/145191165.db2.gz IZNZTKDCPARKBS-HIFRSBDPSA-N 2 1 304.438 2.039 10 0 DEAEMP C[C@]1(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261910193 145240046 /nfs/dbraw/zinc/24/00/46/145240046.db2.gz YAKGMZQEFDIZII-SFHVURJKSA-N 2 1 307.482 2.101 10 0 DEAEMP C[C@]1(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261910193 145240048 /nfs/dbraw/zinc/24/00/48/145240048.db2.gz YAKGMZQEFDIZII-SFHVURJKSA-N 2 1 307.482 2.101 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000261907972 145240405 /nfs/dbraw/zinc/24/04/05/145240405.db2.gz INZKTUMXOVPSEM-XUWVNRHRSA-N 2 1 323.506 2.098 10 0 DEAEMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261961536 145246804 /nfs/dbraw/zinc/24/68/04/145246804.db2.gz PPKQLHPPTDAADW-WBQNTZJQSA-N 2 1 320.408 2.396 10 0 DEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1F ZINC000261966146 145247750 /nfs/dbraw/zinc/24/77/50/145247750.db2.gz QBNBAMBMIMWEBT-NUEKZKHPSA-N 2 1 310.388 2.254 10 0 DEAEMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262005612 145252095 /nfs/dbraw/zinc/25/20/95/145252095.db2.gz UYSSFFKPKDYILY-GVDBMIGSSA-N 2 1 324.852 2.466 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C12CCCC2 ZINC000262017813 145253568 /nfs/dbraw/zinc/25/35/68/145253568.db2.gz WIILEQGQYQIVBS-DFBDCSAJSA-N 2 1 322.493 2.471 10 0 DEAEMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262053800 145257882 /nfs/dbraw/zinc/25/78/82/145257882.db2.gz QMKPNRFOEJVLHA-SFHVURJKSA-N 3 1 302.466 2.229 10 0 DEAEMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103108 148211050 /nfs/dbraw/zinc/21/10/50/148211050.db2.gz DJCQICWBVQZRBN-QGZVFWFLSA-N 2 1 315.461 2.424 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000113604798 401784018 /nfs/dbraw/zinc/78/40/18/401784018.db2.gz HXDHRMLTGBGBAI-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415288 401827174 /nfs/dbraw/zinc/82/71/74/401827174.db2.gz HHOVHTAAWPBKFR-QGZVFWFLSA-N 2 1 321.440 2.378 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N([C@@H](C)C2CC2)C2CC2)[C@H](C)C1 ZINC000079461750 401872818 /nfs/dbraw/zinc/87/28/18/401872818.db2.gz USZKFSSINCMBNZ-VKJFTORMSA-N 2 1 321.509 2.438 10 0 DEAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000119162176 401929905 /nfs/dbraw/zinc/92/99/05/401929905.db2.gz UFPCJNZNFQNTMR-OAHLLOKOSA-N 2 1 318.527 2.111 10 0 DEAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954148 /nfs/dbraw/zinc/95/41/48/401954148.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 2 1 311.470 2.460 10 0 DEAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954150 /nfs/dbraw/zinc/95/41/50/401954150.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 2 1 311.470 2.460 10 0 DEAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954154 /nfs/dbraw/zinc/95/41/54/401954154.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 2 1 311.470 2.460 10 0 DEAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954159 /nfs/dbraw/zinc/95/41/59/401954159.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 2 1 311.470 2.460 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152373905 402092846 /nfs/dbraw/zinc/09/28/46/402092846.db2.gz HRGUUVRGYQXOKK-GVDBMIGSSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000123265881 402118812 /nfs/dbraw/zinc/11/88/12/402118812.db2.gz OGICMNJKIHYKKL-RDJZCZTQSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000123265881 402118815 /nfs/dbraw/zinc/11/88/15/402118815.db2.gz OGICMNJKIHYKKL-RDJZCZTQSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000123265881 402118818 /nfs/dbraw/zinc/11/88/18/402118818.db2.gz OGICMNJKIHYKKL-RDJZCZTQSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000123265881 402118821 /nfs/dbraw/zinc/11/88/21/402118821.db2.gz OGICMNJKIHYKKL-RDJZCZTQSA-N 2 1 303.450 2.060 10 0 DEAEMP CC[N@@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C1CC1 ZINC000101977092 402160062 /nfs/dbraw/zinc/16/00/62/402160062.db2.gz BNAUXYQEQVWPHC-KRWDZBQOSA-N 2 1 318.465 2.073 10 0 DEAEMP C(c1noc2c1CCCC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000108859320 402262947 /nfs/dbraw/zinc/26/29/47/402262947.db2.gz IITNVXLGQJONEY-UHFFFAOYSA-N 2 1 319.449 2.098 10 0 DEAEMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185012237 402316706 /nfs/dbraw/zinc/31/67/06/402316706.db2.gz ZTKBQPATDFHBFF-OAHLLOKOSA-N 2 1 317.437 2.381 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000176971197 402355333 /nfs/dbraw/zinc/35/53/33/402355333.db2.gz JBWAIKJSYXCXRX-KRWDZBQOSA-N 2 1 303.450 2.305 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245238143 402452941 /nfs/dbraw/zinc/45/29/41/402452941.db2.gz YGBZVBILLZITTB-QZTJIDSGSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245238143 402452945 /nfs/dbraw/zinc/45/29/45/402452945.db2.gz YGBZVBILLZITTB-QZTJIDSGSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000245238143 402452948 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0 DEAEMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247114348 402557629 /nfs/dbraw/zinc/55/76/29/402557629.db2.gz PILFPXYEBTWCEA-PMPSAXMXSA-N 2 1 303.450 2.346 10 0 DEAEMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247182129 402559578 /nfs/dbraw/zinc/55/95/78/402559578.db2.gz LAJPAXHLENBZJJ-IRXDYDNUSA-N 2 1 320.477 2.433 10 0 DEAEMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247182129 402559580 /nfs/dbraw/zinc/55/95/80/402559580.db2.gz LAJPAXHLENBZJJ-IRXDYDNUSA-N 2 1 320.477 2.433 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246197588 402517746 /nfs/dbraw/zinc/51/77/46/402517746.db2.gz DPLHDTFAWHGAPA-OKZBNKHCSA-N 2 1 315.461 2.094 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246335265 402526047 /nfs/dbraw/zinc/52/60/47/402526047.db2.gz DEOIXQBACOXTDU-XHSDSOJGSA-N 2 1 312.502 2.088 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC000178748431 402534702 /nfs/dbraw/zinc/53/47/02/402534702.db2.gz XMYZJAKTENGITE-OAHLLOKOSA-N 2 1 306.454 2.208 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCCC(C)(C)C ZINC000178748431 402534705 /nfs/dbraw/zinc/53/47/05/402534705.db2.gz XMYZJAKTENGITE-OAHLLOKOSA-N 2 1 306.454 2.208 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553883 402536651 /nfs/dbraw/zinc/53/66/51/402536651.db2.gz YSTNGUSBCVTXCM-TWMKSMIVSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553883 402536653 /nfs/dbraw/zinc/53/66/53/402536653.db2.gz YSTNGUSBCVTXCM-TWMKSMIVSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553883 402536655 /nfs/dbraw/zinc/53/66/55/402536655.db2.gz YSTNGUSBCVTXCM-TWMKSMIVSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)[C@H](C)C1 ZINC000180515622 402618754 /nfs/dbraw/zinc/61/87/54/402618754.db2.gz JVLCSKUGGZLCFM-KFWWJZLASA-N 2 1 305.470 2.036 10 0 DEAEMP Cc1[nH+]ccn1CCCN(C)Cc1nnc(C2CCC2)n1C ZINC000181512101 402647785 /nfs/dbraw/zinc/64/77/85/402647785.db2.gz QLZIHKUQYWAPOQ-UHFFFAOYSA-N 2 1 302.426 2.110 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000173278415 402690518 /nfs/dbraw/zinc/69/05/18/402690518.db2.gz UTYDXSMHXXUJFT-ZFWWWQNUSA-N 2 1 324.513 2.420 10 0 DEAEMP CC(C)OCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569194 402700625 /nfs/dbraw/zinc/70/06/25/402700625.db2.gz CFZNCLRPHCYKHJ-JWTNVVGKSA-N 2 1 309.498 2.044 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775550 402756831 /nfs/dbraw/zinc/75/68/31/402756831.db2.gz DXKSLLPEGUZQFI-RHSMWYFYSA-N 2 1 321.440 2.104 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306808 402756847 /nfs/dbraw/zinc/75/68/47/402756847.db2.gz XZKDYBWBZSBJHG-KBXCAEBGSA-N 2 1 316.376 2.288 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCN(C(C)C)C3=O)C2)[nH+]1 ZINC000175252527 402791892 /nfs/dbraw/zinc/79/18/92/402791892.db2.gz DJTYJQNZLRTCEI-HZPDHXFCSA-N 2 1 316.449 2.133 10 0 DEAEMP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740249 402813747 /nfs/dbraw/zinc/81/37/47/402813747.db2.gz UJJVTDYUPSEONL-ZWKOTPCHSA-N 2 1 317.477 2.355 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175524695 402814757 /nfs/dbraw/zinc/81/47/57/402814757.db2.gz VJMVXEWCNGCWLJ-INIZCTEOSA-N 2 1 321.469 2.097 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000194146156 402785541 /nfs/dbraw/zinc/78/55/41/402785541.db2.gz IMERHUBMEKWVMG-MRXNPFEDSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000194146156 402785544 /nfs/dbraw/zinc/78/55/44/402785544.db2.gz IMERHUBMEKWVMG-MRXNPFEDSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000194146156 402785547 /nfs/dbraw/zinc/78/55/47/402785547.db2.gz IMERHUBMEKWVMG-MRXNPFEDSA-N 2 1 324.513 2.425 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000333358958 403733673 /nfs/dbraw/zinc/73/36/73/403733673.db2.gz KUBZDLAYYJZTRV-BZUAXINKSA-N 2 1 310.486 2.018 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358191391 404755596 /nfs/dbraw/zinc/75/55/96/404755596.db2.gz PBOVBVVHYKYFBL-DLBZAZTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000358191391 404755599 /nfs/dbraw/zinc/75/55/99/404755599.db2.gz PBOVBVVHYKYFBL-DLBZAZTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000358191391 404755601 /nfs/dbraw/zinc/75/56/01/404755601.db2.gz PBOVBVVHYKYFBL-DLBZAZTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000358193194 404755879 /nfs/dbraw/zinc/75/58/79/404755879.db2.gz QGZFCSLOBFLNNK-INIZCTEOSA-N 2 1 324.513 2.304 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396334511 405055965 /nfs/dbraw/zinc/05/59/65/405055965.db2.gz TUUCSBHWNWNPQI-NXHRZFHOSA-N 2 1 315.461 2.094 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396334511 405055972 /nfs/dbraw/zinc/05/59/72/405055972.db2.gz TUUCSBHWNWNPQI-NXHRZFHOSA-N 2 1 315.461 2.094 10 0 DEAEMP C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000396343976 405057045 /nfs/dbraw/zinc/05/70/45/405057045.db2.gz ZMEPIDRYPRPECW-ZLPCBKJTSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000396343976 405057049 /nfs/dbraw/zinc/05/70/49/405057049.db2.gz ZMEPIDRYPRPECW-ZLPCBKJTSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452318 405063270 /nfs/dbraw/zinc/06/32/70/405063270.db2.gz RLDZUHXAJAAYJM-WDSOQIARSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452318 405063274 /nfs/dbraw/zinc/06/32/74/405063274.db2.gz RLDZUHXAJAAYJM-WDSOQIARSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452318 405063280 /nfs/dbraw/zinc/06/32/80/405063280.db2.gz RLDZUHXAJAAYJM-WDSOQIARSA-N 3 1 301.478 2.486 10 0 DEAEMP CN(C)CCn1c2ccccc2n(CC(=O)c2ccccc2)c1=N ZINC000367837772 405168869 /nfs/dbraw/zinc/16/88/69/405168869.db2.gz UKHFFLPIBVUUSJ-UHFFFAOYSA-N 2 1 322.412 2.367 10 0 DEAEMP C[NH2+][C@H](C)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851512 405713270 /nfs/dbraw/zinc/71/32/70/405713270.db2.gz NHNFTPHXOCRCSN-WBVHZDCISA-N 2 1 303.450 2.155 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638835522 405703143 /nfs/dbraw/zinc/70/31/43/405703143.db2.gz MELRNTSSYHAFKV-SUMDDJOVSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@H](C[NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852006 405715369 /nfs/dbraw/zinc/71/53/69/405715369.db2.gz SPYIDBHGXNHMKB-NVXWUHKLSA-N 2 1 303.450 2.142 10 0 DEAEMP C[C@@H](C[NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852005 405715529 /nfs/dbraw/zinc/71/55/29/405715529.db2.gz SPYIDBHGXNHMKB-DOTOQJQBSA-N 2 1 303.450 2.142 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)C2 ZINC000457207157 405752115 /nfs/dbraw/zinc/75/21/15/405752115.db2.gz BBAITZMOFDGEHM-LBPRGKRZSA-N 2 1 306.454 2.094 10 0 DEAEMP C[N@@H+](CCNC(=O)N1CCC(c2ncc[nH]2)CC1)C1CCCC1 ZINC000520616892 406306733 /nfs/dbraw/zinc/30/67/33/406306733.db2.gz ZNXYNRULRSLIQX-UHFFFAOYSA-N 2 1 319.453 2.173 10 0 DEAEMP C[C@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637948730 406491642 /nfs/dbraw/zinc/49/16/42/406491642.db2.gz QRBDKFFFWDTUBG-INIZCTEOSA-N 2 1 315.461 2.238 10 0 DEAEMP CC1(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638015413 406525256 /nfs/dbraw/zinc/52/52/56/406525256.db2.gz OMPBIPKAKZMRJY-UHFFFAOYSA-N 2 1 315.461 2.286 10 0 DEAEMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000638300414 406683520 /nfs/dbraw/zinc/68/35/20/406683520.db2.gz FORDJWKEZUQISA-WBVHZDCISA-N 2 1 305.466 2.387 10 0 DEAEMP C[N@H+]1CCC[C@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000134376005 196384015 /nfs/dbraw/zinc/38/40/15/196384015.db2.gz YOHUSHAPZBUHGU-AWEZNQCLSA-N 2 1 323.238 2.048 10 0 DEAEMP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876266 424849221 /nfs/dbraw/zinc/84/92/21/424849221.db2.gz LYNOYHUVBZCXJA-AWEZNQCLSA-N 2 1 320.481 2.368 10 0 DEAEMP C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000381042463 424908489 /nfs/dbraw/zinc/90/84/89/424908489.db2.gz DZIOFGZBLOIJDI-HKUYNNGSSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390750913 424917867 /nfs/dbraw/zinc/91/78/67/424917867.db2.gz SIIXPVXWJJQBFX-DLBZAZTESA-N 2 1 303.450 2.141 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390777115 424917927 /nfs/dbraw/zinc/91/79/27/424917927.db2.gz OBPKHNKXGSURSA-RDJZCZTQSA-N 2 1 303.450 2.142 10 0 DEAEMP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000407360410 424932766 /nfs/dbraw/zinc/93/27/66/424932766.db2.gz HEJSZZPGMDHDAC-JLSDUUJJSA-N 2 1 315.461 2.154 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309593268 424893300 /nfs/dbraw/zinc/89/33/00/424893300.db2.gz PJGAUINUXJEDEE-IAGOWNOFSA-N 2 1 303.450 2.141 10 0 DEAEMP Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657294731 425295558 /nfs/dbraw/zinc/29/55/58/425295558.db2.gz DNNYJZCKFJTWLG-KBXCAEBGSA-N 2 1 318.465 2.104 10 0 DEAEMP COCC(COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390887280 269097827 /nfs/dbraw/zinc/09/78/27/269097827.db2.gz YXRQLNZYQVCCSE-JLYLLQBASA-N 2 1 318.461 2.433 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703238 275391787 /nfs/dbraw/zinc/39/17/87/275391787.db2.gz GLJQHRCFRKYCHN-YRXWBPOGSA-N 2 1 322.493 2.378 10 0 DEAEMP CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261783627 276062107 /nfs/dbraw/zinc/06/21/07/276062107.db2.gz BOEMMJLWFXWMBU-ZMSDIMECSA-N 2 1 303.450 2.408 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176227107 279325477 /nfs/dbraw/zinc/32/54/77/279325477.db2.gz GRCHONBKMLJNFW-HOTGVXAUSA-N 2 1 312.502 2.088 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000249891744 281246083 /nfs/dbraw/zinc/24/60/83/281246083.db2.gz QPNNKEXYTSZWRO-CVEARBPZSA-N 2 1 318.465 2.285 10 0 DEAEMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000262405895 300399079 /nfs/dbraw/zinc/39/90/79/300399079.db2.gz RQYGIBSHTVORRV-XSLAGTTESA-N 2 1 321.509 2.488 10 0 DEAEMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1(C)C ZINC000583394841 332384935 /nfs/dbraw/zinc/38/49/35/332384935.db2.gz TULWXAFLMQYHDG-UHFFFAOYSA-N 2 1 315.461 2.449 10 0 DEAEMP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261847220 535692268 /nfs/dbraw/zinc/69/22/68/535692268.db2.gz REOPEKAGMKKUFT-MRXNPFEDSA-N 2 1 320.433 2.188 10 0 DEAEMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261847220 535692269 /nfs/dbraw/zinc/69/22/69/535692269.db2.gz REOPEKAGMKKUFT-MRXNPFEDSA-N 2 1 320.433 2.188 10 0 DEAEMP CN(C(=O)CCCCC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309716425 625628845 /nfs/dbraw/zinc/62/88/45/625628845.db2.gz MAXXWRSCXHITFX-KRWDZBQOSA-N 2 1 303.450 2.238 10 0 DEAEMP Cc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000382913661 685406793 /nfs/dbraw/zinc/40/67/93/685406793.db2.gz IRAPGQZTNFPMEO-HNNXBMFYSA-N 2 1 311.433 2.298 10 0 DEAEMP Cc1nocc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886029121 691987186 /nfs/dbraw/zinc/98/71/86/691987186.db2.gz QVJINKIKGRYHMO-QGZVFWFLSA-N 2 1 316.405 2.093 10 0 DEAEMP CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724102767 777241249 /nfs/dbraw/zinc/24/12/49/777241249.db2.gz JRDMKZJTAZIIFX-JTQLQIEISA-N 2 1 304.303 2.009 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724936902 787354559 /nfs/dbraw/zinc/35/45/59/787354559.db2.gz ONZVTFDFFPUULH-BHIYHBOVSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724936902 787354569 /nfs/dbraw/zinc/35/45/69/787354569.db2.gz ONZVTFDFFPUULH-BHIYHBOVSA-N 2 1 318.461 2.292 10 0 DEAEMP OC1CC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638695 792983079 /nfs/dbraw/zinc/98/30/79/792983079.db2.gz PUYHTDDGTYRZBK-VOUKYHDCSA-N 2 1 300.446 2.400 10 0 DEAEMP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000711250970 1087036182 /nfs/dbraw/zinc/03/61/82/1087036182.db2.gz OSNPMDRUGFTVEL-IAGOWNOFSA-N 2 1 315.461 2.013 10 0 DEAEMP CC[NH+](CC)CCOc1cc2c(cc1Cl)[C@@H]([NH2+]C)C(=O)N2 ZINC000092770038 185339408 /nfs/dbraw/zinc/33/94/08/185339408.db2.gz UYFKBXOJARYQGW-CQSZACIVSA-N 2 1 311.813 2.273 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000181704512 539652729 /nfs/dbraw/zinc/65/27/29/539652729.db2.gz GNIDFDJYXUPLAY-CRAIPNDOSA-N 2 1 305.441 2.426 10 0 DEAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181704512 539652734 /nfs/dbraw/zinc/65/27/34/539652734.db2.gz GNIDFDJYXUPLAY-CRAIPNDOSA-N 2 1 305.441 2.426 10 0 DEAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000181704512 539652735 /nfs/dbraw/zinc/65/27/35/539652735.db2.gz GNIDFDJYXUPLAY-CRAIPNDOSA-N 2 1 305.441 2.426 10 0 DEAEMP C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@H]1C[N@@H+](C)CCN1C ZINC000149584181 186051048 /nfs/dbraw/zinc/05/10/48/186051048.db2.gz MJRSPINNRPJKBO-CABCVRRESA-N 2 1 313.848 2.246 10 0 DEAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000152425360 186070953 /nfs/dbraw/zinc/07/09/53/186070953.db2.gz PTUALORBLAITFH-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000152425360 186070955 /nfs/dbraw/zinc/07/09/55/186070955.db2.gz PTUALORBLAITFH-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000152425360 186070957 /nfs/dbraw/zinc/07/09/57/186070957.db2.gz PTUALORBLAITFH-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323787659 539906187 /nfs/dbraw/zinc/90/61/87/539906187.db2.gz FVBAGPSMCUBEAZ-MSOLQXFVSA-N 2 1 315.461 2.096 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333551953 539963360 /nfs/dbraw/zinc/96/33/60/539963360.db2.gz KIEYWMRMYUZQIE-WCXIOVBPSA-N 2 1 316.449 2.001 10 0 DEAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382712636 540123413 /nfs/dbraw/zinc/12/34/13/540123413.db2.gz WKYCSJGGABMNQV-IEBWSBKVSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404312074 540144930 /nfs/dbraw/zinc/14/49/30/540144930.db2.gz LXFCGJSHCVOSFX-OWCLPIDISA-N 2 1 317.477 2.481 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000157745879 355956541 /nfs/dbraw/zinc/95/65/41/355956541.db2.gz ZQOVGWPSHFFRLU-INIZCTEOSA-N 2 1 324.513 2.140 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000184935737 356199619 /nfs/dbraw/zinc/19/96/19/356199619.db2.gz AXLMHIWOZUMYRE-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP CC(C)[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381616997 356671999 /nfs/dbraw/zinc/67/19/99/356671999.db2.gz ZGSOJPMGACQASU-KRWDZBQOSA-N 2 1 303.450 2.107 10 0 DEAEMP C[C@@H]([NH3+])CC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877568 296016769 /nfs/dbraw/zinc/01/67/69/296016769.db2.gz SMBOTDHHUAIQCL-RHSMWYFYSA-N 2 1 317.477 2.313 10 0 DEAEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000195271169 201371535 /nfs/dbraw/zinc/37/15/35/201371535.db2.gz UBZMQMCAGLSBMB-LJQANCHMSA-N 2 1 316.493 2.321 10 0 DEAEMP CC[N@@H+](CC(C)(C)O)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000092983388 193191163 /nfs/dbraw/zinc/19/11/63/193191163.db2.gz IYSFFOJYIQGFDX-QGZVFWFLSA-N 2 1 300.487 2.264 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](CC)CCOCC ZINC000093597919 193273337 /nfs/dbraw/zinc/27/33/37/193273337.db2.gz KKMINXWJJBEIHO-IAGOWNOFSA-N 2 1 300.487 2.266 10 0 DEAEMP CCC[NH2+][C@]1(C(N)=O)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756560 193301787 /nfs/dbraw/zinc/30/17/87/193301787.db2.gz ZCPFTDRQKJWWGV-WCQYABFASA-N 2 1 309.376 2.037 10 0 DEAEMP CCC[NH2+][C@]1(C(N)=O)CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756560 193301789 /nfs/dbraw/zinc/30/17/89/193301789.db2.gz ZCPFTDRQKJWWGV-WCQYABFASA-N 2 1 309.376 2.037 10 0 DEAEMP C[N@H+]1CCCC[C@H]1COc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334538 193360650 /nfs/dbraw/zinc/36/06/50/193360650.db2.gz XWPBDVCKOPGOHU-NSHDSACASA-N 2 1 303.328 2.422 10 0 DEAEMP C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)CC1CC[NH2+]CC1 ZINC000094024571 193339914 /nfs/dbraw/zinc/33/99/14/193339914.db2.gz VOOGYXHQCHGBEE-UHFFFAOYSA-N 2 1 313.804 2.349 10 0 DEAEMP C[NH2+][C@H]1[C@H](C[N@@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428311 193368480 /nfs/dbraw/zinc/36/84/80/193368480.db2.gz GIMXRTRFTNLNGU-GJZGRUSLSA-N 2 1 300.487 2.382 10 0 DEAEMP CCC[NH2+][C@@H]1[C@@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428444 193369064 /nfs/dbraw/zinc/36/90/64/193369064.db2.gz KDRUVYKKDIOFLY-HUUCEWRRSA-N 2 1 300.487 2.263 10 0 DEAEMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000458462186 248320935 /nfs/dbraw/zinc/32/09/35/248320935.db2.gz PWXPIVIARGDAHO-QGZVFWFLSA-N 2 1 324.513 2.234 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105215331 194085246 /nfs/dbraw/zinc/08/52/46/194085246.db2.gz CYIIOYQKAVLOLW-UHFFFAOYSA-N 2 1 324.513 2.282 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000111130587 194393804 /nfs/dbraw/zinc/39/38/04/194393804.db2.gz BIIFABOAQJGPQS-UHFFFAOYSA-N 2 1 312.845 2.134 10 0 DEAEMP COCCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000062034878 184203022 /nfs/dbraw/zinc/20/30/22/184203022.db2.gz CYLYHXBOGRALLX-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP COCCC[N@@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000062034878 184203024 /nfs/dbraw/zinc/20/30/24/184203024.db2.gz CYLYHXBOGRALLX-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCCc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)sc1C[NH2+]C ZINC000062942725 184262173 /nfs/dbraw/zinc/26/21/73/184262173.db2.gz YOKHONUOPBVMHE-CYBMUJFWSA-N 2 1 308.495 2.490 10 0 DEAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000063092285 184270197 /nfs/dbraw/zinc/27/01/97/184270197.db2.gz QSEPURNCHYPJLN-SNVBAGLBSA-N 2 1 314.227 2.474 10 0 DEAEMP C[N@H+]1CC[C@H](n2c(N)[nH+]c3cc(F)c(Br)cc32)C1 ZINC000158385619 197267277 /nfs/dbraw/zinc/26/72/77/197267277.db2.gz ORXYSKVZJVWMKX-ZETCQYMHSA-N 2 1 313.174 2.397 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@@H+](C)CCOC(C)C ZINC000157769551 197213952 /nfs/dbraw/zinc/21/39/52/197213952.db2.gz HWCFVOJTNIZMEU-DLBZAZTESA-N 2 1 300.487 2.264 10 0 DEAEMP CC(C)C[NH2+]CC1(C[N@@H+](C)CCOC(C)C)CCOCC1 ZINC000157606247 197201799 /nfs/dbraw/zinc/20/17/99/197201799.db2.gz QPYBGESTZIAYTM-UHFFFAOYSA-N 2 1 300.487 2.386 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176227090 285235952 /nfs/dbraw/zinc/23/59/52/285235952.db2.gz GRCHONBKMLJNFW-JKSUJKDBSA-N 2 1 312.502 2.088 10 0 DEAEMP C[N@H+]1CCC[C@@H]2CN(Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613724 145109095 /nfs/dbraw/zinc/10/90/95/145109095.db2.gz DQYLDZGPAQNNPY-CZUORRHYSA-N 2 1 311.433 2.128 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247944531 145145838 /nfs/dbraw/zinc/14/58/38/145145838.db2.gz HEXOYWUAQAKEGI-LMMKCTJWSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247944531 145145840 /nfs/dbraw/zinc/14/58/40/145145840.db2.gz HEXOYWUAQAKEGI-LMMKCTJWSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247944531 145145842 /nfs/dbraw/zinc/14/58/42/145145842.db2.gz HEXOYWUAQAKEGI-LMMKCTJWSA-N 2 1 318.461 2.151 10 0 DEAEMP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261549155 145206988 /nfs/dbraw/zinc/20/69/88/145206988.db2.gz OGTAHBCRDAIHPY-KZNAEPCWSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000261648906 145213835 /nfs/dbraw/zinc/21/38/35/145213835.db2.gz BFAACWOCWQMLMD-RVKKMQEKSA-N 2 1 315.461 2.019 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261741715 145221894 /nfs/dbraw/zinc/22/18/94/145221894.db2.gz SFCBOVNBEGAQGH-NCOADZHNSA-N 2 1 307.482 2.288 10 0 DEAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834942 145232067 /nfs/dbraw/zinc/23/20/67/145232067.db2.gz ULJYLKLWMPPUOO-DZOHQFGASA-N 2 1 315.461 2.313 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1cccc(F)c1 ZINC000261904772 145240100 /nfs/dbraw/zinc/24/01/00/145240100.db2.gz IEHRVUZYETUZHL-BNEJOLLZSA-N 2 1 322.424 2.340 10 0 DEAEMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261913322 145240978 /nfs/dbraw/zinc/24/09/78/145240978.db2.gz JISHNFZNFIUQAL-BHIYHBOVSA-N 2 1 313.445 2.457 10 0 DEAEMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261922150 145241858 /nfs/dbraw/zinc/24/18/58/145241858.db2.gz KONHEEVMZLBMHR-RAEVTNRLSA-N 2 1 307.438 2.142 10 0 DEAEMP COc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1C ZINC000261970358 145247541 /nfs/dbraw/zinc/24/75/41/145247541.db2.gz QMWQBYXQMONTOM-RCCFBDPRSA-N 2 1 318.461 2.293 10 0 DEAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000261964876 145248038 /nfs/dbraw/zinc/24/80/38/145248038.db2.gz YHVGVMMTOJZVFQ-ZFZWDLNGSA-N 2 1 319.424 2.062 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000261964876 145248040 /nfs/dbraw/zinc/24/80/40/145248040.db2.gz YHVGVMMTOJZVFQ-ZFZWDLNGSA-N 2 1 319.424 2.062 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203238 145336025 /nfs/dbraw/zinc/33/60/25/145336025.db2.gz JKAVNQODMKJDJF-BXKDBHETSA-N 2 1 308.731 2.029 10 0 DEAEMP CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372386880 148202112 /nfs/dbraw/zinc/20/21/12/148202112.db2.gz NDVHSBNHTBTRAR-ZDUSSCGKSA-N 2 1 306.454 2.096 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119600554 401961200 /nfs/dbraw/zinc/96/12/00/401961200.db2.gz FAOODDOUAIZTAW-GJZGRUSLSA-N 2 1 312.502 2.088 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136813894 401974219 /nfs/dbraw/zinc/97/42/19/401974219.db2.gz GJPYWWXKNDWPIB-MRXNPFEDSA-N 2 1 318.465 2.341 10 0 DEAEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121139779 402016924 /nfs/dbraw/zinc/01/69/24/402016924.db2.gz VDCPWBBFSAKQQW-OAHLLOKOSA-N 2 1 306.450 2.220 10 0 DEAEMP CC(C)Cn1ccnc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000121657374 402047733 /nfs/dbraw/zinc/04/77/33/402047733.db2.gz ASINWUJJVLCFAI-CABCVRRESA-N 2 1 321.469 2.067 10 0 DEAEMP Cc1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1C1CC1 ZINC000123422873 402127246 /nfs/dbraw/zinc/12/72/46/402127246.db2.gz LWYYFHJMWJGGII-UHFFFAOYSA-N 2 1 305.470 2.475 10 0 DEAEMP CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000123554225 402134087 /nfs/dbraw/zinc/13/40/87/402134087.db2.gz IVNTTZAYVMZKIA-NVXWUHKLSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000123554225 402134090 /nfs/dbraw/zinc/13/40/90/402134090.db2.gz IVNTTZAYVMZKIA-NVXWUHKLSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000123554225 402134093 /nfs/dbraw/zinc/13/40/93/402134093.db2.gz IVNTTZAYVMZKIA-NVXWUHKLSA-N 2 1 303.450 2.107 10 0 DEAEMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106458431 402213845 /nfs/dbraw/zinc/21/38/45/402213845.db2.gz YUCFDCOSKSMKLR-SJLPKXTDSA-N 2 1 317.477 2.007 10 0 DEAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106458431 402213847 /nfs/dbraw/zinc/21/38/47/402213847.db2.gz YUCFDCOSKSMKLR-SJLPKXTDSA-N 2 1 317.477 2.007 10 0 DEAEMP C(CCN1CCOCC1)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000158732101 402310933 /nfs/dbraw/zinc/31/09/33/402310933.db2.gz MZSUTCOHLUEZAZ-UHFFFAOYSA-N 2 1 323.525 2.486 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177164971 402377103 /nfs/dbraw/zinc/37/71/03/402377103.db2.gz BKJHITGNDLGZNY-QGZVFWFLSA-N 2 1 318.465 2.303 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236764250 402381410 /nfs/dbraw/zinc/38/14/10/402381410.db2.gz HHGLLMVOTYQRSU-QAETUUGQSA-N 2 1 307.482 2.097 10 0 DEAEMP CC(C)([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236838149 402385485 /nfs/dbraw/zinc/38/54/85/402385485.db2.gz BBGYJHQXLWXWSA-ALOPSCKCSA-N 2 1 315.461 2.426 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000186629448 402449271 /nfs/dbraw/zinc/44/92/71/402449271.db2.gz CXFBBAFTKWJXBI-IRXDYDNUSA-N 2 1 318.465 2.025 10 0 DEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245426331 402459348 /nfs/dbraw/zinc/45/93/48/402459348.db2.gz FYYBZYIOKPSCNK-SJORKVTESA-N 2 1 303.450 2.232 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245426331 402459350 /nfs/dbraw/zinc/45/93/50/402459350.db2.gz FYYBZYIOKPSCNK-SJORKVTESA-N 2 1 303.450 2.232 10 0 DEAEMP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304810 402482491 /nfs/dbraw/zinc/48/24/91/402482491.db2.gz OUMOOTPGTFSMHG-GOEBONIOSA-N 2 1 306.454 2.351 10 0 DEAEMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304810 402482496 /nfs/dbraw/zinc/48/24/96/402482496.db2.gz OUMOOTPGTFSMHG-GOEBONIOSA-N 2 1 306.454 2.351 10 0 DEAEMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000245965701 402500995 /nfs/dbraw/zinc/50/09/95/402500995.db2.gz DOVRFYNOYUFVER-BRWVUGGUSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000245965701 402500996 /nfs/dbraw/zinc/50/09/96/402500996.db2.gz DOVRFYNOYUFVER-BRWVUGGUSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000245965701 402500997 /nfs/dbraw/zinc/50/09/97/402500997.db2.gz DOVRFYNOYUFVER-BRWVUGGUSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246756398 402544000 /nfs/dbraw/zinc/54/40/00/402544000.db2.gz MLTNJHLGHKGBDC-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246756398 402544004 /nfs/dbraw/zinc/54/40/04/402544004.db2.gz MLTNJHLGHKGBDC-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246756398 402544007 /nfs/dbraw/zinc/54/40/07/402544007.db2.gz MLTNJHLGHKGBDC-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000246433352 402531499 /nfs/dbraw/zinc/53/14/99/402531499.db2.gz MWJPRTXGYJNVPA-DOTOQJQBSA-N 2 1 324.513 2.231 10 0 DEAEMP CCC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000248406539 402589646 /nfs/dbraw/zinc/58/96/46/402589646.db2.gz SMJDCUYUQPQCCF-HLLBOEOZSA-N 2 1 309.498 2.486 10 0 DEAEMP COC[C@@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000249774009 402641897 /nfs/dbraw/zinc/64/18/97/402641897.db2.gz KACWKEUITYYZRW-HKUYNNGSSA-N 2 1 319.493 2.237 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173669329 402707740 /nfs/dbraw/zinc/70/77/40/402707740.db2.gz UFCPMOALFPLLQL-DOTOQJQBSA-N 2 1 324.513 2.231 10 0 DEAEMP C1CCC([NH+]2CCC(N[C@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)C1 ZINC000261841629 402718126 /nfs/dbraw/zinc/71/81/26/402718126.db2.gz ALSGZBGVWISSNO-CEXWTWQISA-N 2 1 321.509 2.140 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262506636 402726692 /nfs/dbraw/zinc/72/66/92/402726692.db2.gz AFFXPNUJFXILTI-ZNMIVQPWSA-N 2 1 309.841 2.329 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262506636 402726694 /nfs/dbraw/zinc/72/66/94/402726694.db2.gz AFFXPNUJFXILTI-ZNMIVQPWSA-N 2 1 309.841 2.329 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175668667 402824386 /nfs/dbraw/zinc/82/43/86/402824386.db2.gz BKPBCLGNDBDIST-MRXNPFEDSA-N 2 1 322.497 2.177 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2cccs2)[C@H](C)C1 ZINC000175728964 402827282 /nfs/dbraw/zinc/82/72/82/402827282.db2.gz GOCOIBJTNDPKER-GDBMZVCRSA-N 2 1 323.506 2.369 10 0 DEAEMP Cn1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C(C)(C)C)n1 ZINC000275470575 403102766 /nfs/dbraw/zinc/10/27/66/403102766.db2.gz HRIIZCBWQIEDIX-ZDUSSCGKSA-N 2 1 301.438 2.266 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767674 403111653 /nfs/dbraw/zinc/11/16/53/403111653.db2.gz RAOJHBZOBSPHBA-WBVHZDCISA-N 2 1 317.477 2.401 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767674 403111656 /nfs/dbraw/zinc/11/16/56/403111656.db2.gz RAOJHBZOBSPHBA-WBVHZDCISA-N 2 1 317.477 2.401 10 0 DEAEMP COCCOc1ccccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275662361 403113759 /nfs/dbraw/zinc/11/37/59/403113759.db2.gz VDOHMFBKUHXLTG-OAHLLOKOSA-N 2 1 315.417 2.261 10 0 DEAEMP C(C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276778 404720879 /nfs/dbraw/zinc/72/08/79/404720879.db2.gz HOLSSGQZPVULED-RTBURBONSA-N 2 1 322.493 2.382 10 0 DEAEMP C[C@@H](CCNC(=O)C[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000379680532 405029981 /nfs/dbraw/zinc/02/99/81/405029981.db2.gz MRSCDZNCJAUBPC-WMZOPIPTSA-N 2 1 317.477 2.403 10 0 DEAEMP c1cc(OCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCO2 ZINC000420365301 405333481 /nfs/dbraw/zinc/33/34/81/405333481.db2.gz JATXAHPDHHEYPQ-GOSISDBHSA-N 2 1 318.417 2.260 10 0 DEAEMP c1nc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378951 405338255 /nfs/dbraw/zinc/33/82/55/405338255.db2.gz UURKKIMUMUCYKZ-CVEARBPZSA-N 2 1 302.466 2.398 10 0 DEAEMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000638852067 405714885 /nfs/dbraw/zinc/71/48/85/405714885.db2.gz VDKUMFMEIHMWIZ-QZTJIDSGSA-N 2 1 315.461 2.157 10 0 DEAEMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851753 405715219 /nfs/dbraw/zinc/71/52/19/405715219.db2.gz RQKZHHQPHNPRRN-IAGOWNOFSA-N 2 1 303.450 2.285 10 0 DEAEMP CC1(C)CN(C(=O)C2=CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000638101728 406570186 /nfs/dbraw/zinc/57/01/86/406570186.db2.gz RFHXXWUAXCCTFO-KRWDZBQOSA-N 2 1 313.445 2.157 10 0 DEAEMP COc1cccc([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000129807110 196077728 /nfs/dbraw/zinc/07/77/28/196077728.db2.gz JACSPRMUDMGJFU-MRXNPFEDSA-N 2 1 305.466 2.326 10 0 DEAEMP CC[C@](C)(C(=O)c1c(Cl)cnn1CC[NH+](C)C)[NH+](C)C ZINC000134100714 196361645 /nfs/dbraw/zinc/36/16/45/196361645.db2.gz CWZVDHFIFNXXCI-CQSZACIVSA-N 2 1 300.834 2.011 10 0 DEAEMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1C/C=C/C[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191159302 225105539 /nfs/dbraw/zinc/10/55/39/225105539.db2.gz DVVAKBYCUZLMPB-LQFVJPETSA-N 2 1 310.482 2.010 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972219 424917086 /nfs/dbraw/zinc/91/70/86/424917086.db2.gz CNKJLCPFIUTHKY-IWCVFHTOSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047016 269108028 /nfs/dbraw/zinc/10/80/28/269108028.db2.gz WDVTYVKTVFONIN-KCITZHQASA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398047016 269108030 /nfs/dbraw/zinc/10/80/30/269108030.db2.gz WDVTYVKTVFONIN-KCITZHQASA-N 2 1 301.478 2.485 10 0 DEAEMP c1nc(C2CC2)sc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000582772945 337145228 /nfs/dbraw/zinc/14/52/28/337145228.db2.gz HHUWRAWEDCOUAA-UHFFFAOYSA-N 2 1 320.506 2.327 10 0 DEAEMP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000246194753 524451047 /nfs/dbraw/zinc/45/10/47/524451047.db2.gz DMZBMJHVDZDNBG-VNHYZAJKSA-N 2 1 321.490 2.128 10 0 DEAEMP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000246194753 524451057 /nfs/dbraw/zinc/45/10/57/524451057.db2.gz DMZBMJHVDZDNBG-VNHYZAJKSA-N 2 1 321.490 2.128 10 0 DEAEMP COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262017657 536806319 /nfs/dbraw/zinc/80/63/19/536806319.db2.gz WFXFDAFYCJWCFG-KURKYZTESA-N 2 1 318.461 2.293 10 0 DEAEMP COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262017662 536806472 /nfs/dbraw/zinc/80/64/72/536806472.db2.gz WFXFDAFYCJWCFG-KZNAEPCWSA-N 2 1 318.461 2.293 10 0 DEAEMP [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379659458 685393372 /nfs/dbraw/zinc/39/33/72/685393372.db2.gz ARYYMYQGYZXCJF-ROUUACIJSA-N 2 1 315.461 2.285 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000397729193 790213672 /nfs/dbraw/zinc/21/36/72/790213672.db2.gz DNHLZIUXJKHCNR-HUUCEWRRSA-N 2 1 309.454 2.070 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000397729193 790213675 /nfs/dbraw/zinc/21/36/75/790213675.db2.gz DNHLZIUXJKHCNR-HUUCEWRRSA-N 2 1 309.454 2.070 10 0 DEAEMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713005418 792212466 /nfs/dbraw/zinc/21/24/66/792212466.db2.gz UAXYWJYZMXDZCX-IRXDYDNUSA-N 2 1 317.477 2.387 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747419 801848094 /nfs/dbraw/zinc/84/80/94/801848094.db2.gz LDHKSNOITOODCU-GDBMZVCRSA-N 2 1 323.481 2.483 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000701867903 1086388990 /nfs/dbraw/zinc/38/89/90/1086388990.db2.gz ODCNLYPQHIGWIK-YOFIQYCBSA-N 2 1 323.481 2.458 10 0 DEAEMP C[NH+](C)C1(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000710970596 1086692207 /nfs/dbraw/zinc/69/22/07/1086692207.db2.gz HOOIXHVILYGSNQ-UHFFFAOYSA-N 2 1 311.470 2.317 10 0 DEAEMP C[NH2+]CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000719690087 1092463000 /nfs/dbraw/zinc/46/30/00/1092463000.db2.gz GRXBTFKVGLPROH-SFHVURJKSA-N 2 1 317.477 2.405 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000380895733 1144379063 /nfs/dbraw/zinc/37/90/63/1144379063.db2.gz JEHXFLQXPSYDSG-DLBZAZTESA-N 2 1 303.450 2.142 10 0 DEAEMP CC[NH2+][C@H](CC[N@H+](CCO)CCOC)c1ccc(Cl)cc1 ZINC000164657907 197659502 /nfs/dbraw/zinc/65/95/02/197659502.db2.gz QYYDCLTUSSFSEG-MRXNPFEDSA-N 2 1 314.857 2.321 10 0 DEAEMP CC[NH2+][C@H](CC[N@@H+](CCO)CCOC)c1ccc(Cl)cc1 ZINC000164657907 197659503 /nfs/dbraw/zinc/65/95/03/197659503.db2.gz QYYDCLTUSSFSEG-MRXNPFEDSA-N 2 1 314.857 2.321 10 0 DEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435182 185250089 /nfs/dbraw/zinc/25/00/89/185250089.db2.gz VNKCMPSHTDTLIG-AAEUAGOBSA-N 2 1 310.360 2.321 10 0 DEAEMP COC(=O)[C@@](C)([NH3+])CCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435182 185250090 /nfs/dbraw/zinc/25/00/90/185250090.db2.gz VNKCMPSHTDTLIG-AAEUAGOBSA-N 2 1 310.360 2.321 10 0 DEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435289 185250312 /nfs/dbraw/zinc/25/03/12/185250312.db2.gz HTULHEIHQIXLOT-AAEUAGOBSA-N 2 1 310.360 2.321 10 0 DEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435289 185250313 /nfs/dbraw/zinc/25/03/13/185250313.db2.gz HTULHEIHQIXLOT-AAEUAGOBSA-N 2 1 310.360 2.321 10 0 DEAEMP C[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438770 185296680 /nfs/dbraw/zinc/29/66/80/185296680.db2.gz DIENTRPRFSQUPT-JSGCOSHPSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438770 185296681 /nfs/dbraw/zinc/29/66/81/185296681.db2.gz DIENTRPRFSQUPT-JSGCOSHPSA-N 2 1 313.239 2.115 10 0 DEAEMP CN(C[C@@H]1CCC[N@H+]1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000092624911 185330110 /nfs/dbraw/zinc/33/01/10/185330110.db2.gz SPMXNYNCORDEPG-QWRGUYRKSA-N 2 1 316.243 2.068 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000248550979 539774083 /nfs/dbraw/zinc/77/40/83/539774083.db2.gz GNIDFDJYXUPLAY-QAPCUYQASA-N 2 1 305.441 2.426 10 0 DEAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000248550979 539774087 /nfs/dbraw/zinc/77/40/87/539774087.db2.gz GNIDFDJYXUPLAY-QAPCUYQASA-N 2 1 305.441 2.426 10 0 DEAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000248550979 539774088 /nfs/dbraw/zinc/77/40/88/539774088.db2.gz GNIDFDJYXUPLAY-QAPCUYQASA-N 2 1 305.441 2.426 10 0 DEAEMP CC[NH2+][C@H](Cc1ccccc1Cl)C[C@H]1C[N@@H+](C)CCN1C ZINC000149684932 186052496 /nfs/dbraw/zinc/05/24/96/186052496.db2.gz ASTUJZHLYYNLOS-CVEARBPZSA-N 2 1 309.885 2.497 10 0 DEAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000152425467 186070870 /nfs/dbraw/zinc/07/08/70/186070870.db2.gz PTUALORBLAITFH-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000152425467 186070871 /nfs/dbraw/zinc/07/08/71/186070871.db2.gz PTUALORBLAITFH-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000152425467 186070873 /nfs/dbraw/zinc/07/08/73/186070873.db2.gz PTUALORBLAITFH-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](C2CC2)CC1)c1ccccc1 ZINC000171480664 186166711 /nfs/dbraw/zinc/16/67/11/186166711.db2.gz YVPUQXLFSCWYRA-GOSISDBHSA-N 2 1 315.461 2.376 10 0 DEAEMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](C2CC2)CC1)c1ccccc1 ZINC000171480664 186166713 /nfs/dbraw/zinc/16/67/13/186166713.db2.gz YVPUQXLFSCWYRA-GOSISDBHSA-N 2 1 315.461 2.376 10 0 DEAEMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171480664 186166715 /nfs/dbraw/zinc/16/67/15/186166715.db2.gz YVPUQXLFSCWYRA-GOSISDBHSA-N 2 1 315.461 2.376 10 0 DEAEMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000171480664 186166717 /nfs/dbraw/zinc/16/67/17/186166717.db2.gz YVPUQXLFSCWYRA-GOSISDBHSA-N 2 1 315.461 2.376 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000173682353 198239954 /nfs/dbraw/zinc/23/99/54/198239954.db2.gz NLGCSTHPTPXAEU-CYBMUJFWSA-N 2 1 311.857 2.260 10 0 DEAEMP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404312539 540145247 /nfs/dbraw/zinc/14/52/47/540145247.db2.gz MCWKTBQRNVSWPL-XUWVNRHRSA-N 2 1 303.450 2.104 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458164 283157176 /nfs/dbraw/zinc/15/71/76/283157176.db2.gz SXVYDJLVBROAAS-HIFRSBDPSA-N 2 1 322.453 2.427 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000175779905 283167342 /nfs/dbraw/zinc/16/73/42/283167342.db2.gz YNSJCOWSPKKGOV-KRWDZBQOSA-N 2 1 324.513 2.378 10 0 DEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000091313770 193038427 /nfs/dbraw/zinc/03/84/27/193038427.db2.gz PTILRAKHZCMFIW-CQSZACIVSA-N 2 1 313.239 2.259 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000629569733 367256334 /nfs/dbraw/zinc/25/63/34/367256334.db2.gz DZPZCGYYEZJILX-UHFFFAOYSA-N 2 1 301.228 2.117 10 0 DEAEMP CN1CC[N@H+](C)C[C@H]1c1nc(-c2cccc(C[NH3+])c2)cs1 ZINC000093896670 193325082 /nfs/dbraw/zinc/32/50/82/193325082.db2.gz NQVJGHKRSGOIED-HNNXBMFYSA-N 2 1 302.447 2.187 10 0 DEAEMP CN1CC[N@@H+](C)C[C@H]1c1nc(-c2cccc(C[NH3+])c2)cs1 ZINC000093896670 193325084 /nfs/dbraw/zinc/32/50/84/193325084.db2.gz NQVJGHKRSGOIED-HNNXBMFYSA-N 2 1 302.447 2.187 10 0 DEAEMP CS(=O)(=O)[C@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634617 193385863 /nfs/dbraw/zinc/38/58/63/193385863.db2.gz WPUZWSJQDOBVKI-HOTGVXAUSA-N 2 1 316.511 2.326 10 0 DEAEMP CCC[NH2+][C@@H]1[C@@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429263 193369185 /nfs/dbraw/zinc/36/91/85/193369185.db2.gz ORDQFFAOXYLHLO-HUUCEWRRSA-N 2 1 300.487 2.261 10 0 DEAEMP C[C@H]1C[C@](C[NH3+])(N2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094473233 193372667 /nfs/dbraw/zinc/37/26/67/193372667.db2.gz ICTQEYHJDKCYTR-DOTOQJQBSA-N 2 1 305.491 2.027 10 0 DEAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000020217645 182198185 /nfs/dbraw/zinc/19/81/85/182198185.db2.gz XNUYFHBSUXPQEK-AWEZNQCLSA-N 2 1 312.255 2.086 10 0 DEAEMP CC[NH+]1CCN([C@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475240 182221439 /nfs/dbraw/zinc/22/14/39/182221439.db2.gz REUNDJSNOGXMBO-LLVKDONJSA-N 2 1 318.284 2.148 10 0 DEAEMP C[NH+](C)CC1CC[NH+](Cc2nc3sccc3c(N)n2)CC1 ZINC000050815610 183805288 /nfs/dbraw/zinc/80/52/88/183805288.db2.gz FZIHHEJFBJGSKZ-UHFFFAOYSA-N 2 1 305.451 2.047 10 0 DEAEMP C[N@H+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1(C)C ZINC000110712193 194353465 /nfs/dbraw/zinc/35/34/65/194353465.db2.gz YFYWVYFCOAWHGU-JTQLQIEISA-N 2 1 316.243 2.068 10 0 DEAEMP Cc1cc(C)c(C(N)=S)c(NC[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000062080408 184204957 /nfs/dbraw/zinc/20/49/57/184204957.db2.gz OJUDAFBPMJCKNT-LLVKDONJSA-N 2 1 306.479 2.476 10 0 DEAEMP Cc1cc(C)c(C(N)=S)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000158026729 197236631 /nfs/dbraw/zinc/23/66/31/197236631.db2.gz DJZXAKOHABVGJJ-QWHCGFSZSA-N 2 1 304.463 2.371 10 0 DEAEMP 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DEAEMP CCNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348062505 404026238 /nfs/dbraw/zinc/02/62/38/404026238.db2.gz KLNCWIJMSQVDAL-MIGBEJBISA-N 2 1 315.461 2.296 10 0 DEAEMP CC(C)[NH2+]CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377315934 404835679 /nfs/dbraw/zinc/83/56/79/404835679.db2.gz KIUILZBKKDLAHM-OALUTQOASA-N 2 1 301.478 2.438 10 0 DEAEMP C[C@@H](CC[NH2+]C[C@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647577 405028037 /nfs/dbraw/zinc/02/80/37/405028037.db2.gz KQYNTJJDIKIYNK-JSGCOSHPSA-N 2 1 304.356 2.410 10 0 DEAEMP C[C@@H](CC[NH2+]C[C@H](O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379647577 405028041 /nfs/dbraw/zinc/02/80/41/405028041.db2.gz KQYNTJJDIKIYNK-JSGCOSHPSA-N 2 1 304.356 2.410 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423184434 405714014 /nfs/dbraw/zinc/71/40/14/405714014.db2.gz IBUDWGCMUHWMKK-GBESFXJTSA-N 2 1 316.493 2.462 10 0 DEAEMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639106902 405886575 /nfs/dbraw/zinc/88/65/75/405886575.db2.gz XBHVYBQOEYMRBM-MOPGFXCFSA-N 2 1 318.461 2.436 10 0 DEAEMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639106902 405886579 /nfs/dbraw/zinc/88/65/79/405886579.db2.gz XBHVYBQOEYMRBM-MOPGFXCFSA-N 2 1 318.461 2.436 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724286 406248646 /nfs/dbraw/zinc/24/86/46/406248646.db2.gz NIFKNXAJBWHOMZ-BHIYHBOVSA-N 2 1 320.477 2.130 10 0 DEAEMP [NH3+]C1(CC(=O)NCC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637927780 406482771 /nfs/dbraw/zinc/48/27/71/406482771.db2.gz YIPYAOUGUUOMAE-UHFFFAOYSA-N 2 1 315.461 2.286 10 0 DEAEMP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCn3cc[nH+]c3C)[C@H]2C1 ZINC000132724111 196278180 /nfs/dbraw/zinc/27/81/80/196278180.db2.gz GMFCJUCUVAVCGH-IKGGRYGDSA-N 2 1 307.438 2.240 10 0 DEAEMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCCn3cc[nH+]c3C)[C@H]2C1 ZINC000132724111 196278181 /nfs/dbraw/zinc/27/81/81/196278181.db2.gz GMFCJUCUVAVCGH-IKGGRYGDSA-N 2 1 307.438 2.240 10 0 DEAEMP C[N@@H+]1CCC[C@@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000134375910 196383972 /nfs/dbraw/zinc/38/39/72/196383972.db2.gz WDXJBLWHJXQQIC-CQSZACIVSA-N 2 1 323.238 2.048 10 0 DEAEMP C[N@H+]1CCC[C@@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000134375910 196383974 /nfs/dbraw/zinc/38/39/74/196383974.db2.gz WDXJBLWHJXQQIC-CQSZACIVSA-N 2 1 323.238 2.048 10 0 DEAEMP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390738390 424917382 /nfs/dbraw/zinc/91/73/82/424917382.db2.gz ABFNJWFYVACBFM-INIZCTEOSA-N 2 1 303.450 2.237 10 0 DEAEMP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309924346 424894131 /nfs/dbraw/zinc/89/41/31/424894131.db2.gz WYHUKGWNEWIAQF-QZTJIDSGSA-N 2 1 315.461 2.014 10 0 DEAEMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000362738036 269050410 /nfs/dbraw/zinc/05/04/10/269050410.db2.gz SBJDKBBLODZSOA-UHFFFAOYSA-N 2 1 309.498 2.441 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397304639 269105595 /nfs/dbraw/zinc/10/55/95/269105595.db2.gz GFKASXNMJQTFGR-JZXOWHBKSA-N 2 1 317.477 2.340 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397304639 269105596 /nfs/dbraw/zinc/10/55/96/269105596.db2.gz GFKASXNMJQTFGR-JZXOWHBKSA-N 2 1 317.477 2.340 10 0 DEAEMP COCC[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067934858 277220403 /nfs/dbraw/zinc/22/04/03/277220403.db2.gz KARZHYXVTXBCPL-KRWDZBQOSA-N 3 1 323.525 2.247 10 0 DEAEMP COCCN1CCC[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067934858 277220405 /nfs/dbraw/zinc/22/04/05/277220405.db2.gz KARZHYXVTXBCPL-KRWDZBQOSA-N 2 1 323.525 2.247 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826742 279272616 /nfs/dbraw/zinc/27/26/16/279272616.db2.gz IWETUZZISRCTLA-JKSUJKDBSA-N 2 1 312.502 2.136 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261560370 279283163 /nfs/dbraw/zinc/28/31/63/279283163.db2.gz ZUGAVJCSOVIWDT-HYVNUMGLSA-N 2 1 303.450 2.141 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000077644739 281054643 /nfs/dbraw/zinc/05/46/43/281054643.db2.gz FKSJISHPUMNZAZ-INIZCTEOSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000077644739 281054646 /nfs/dbraw/zinc/05/46/46/281054646.db2.gz FKSJISHPUMNZAZ-INIZCTEOSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000077644739 281054648 /nfs/dbraw/zinc/05/46/48/281054648.db2.gz FKSJISHPUMNZAZ-INIZCTEOSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000173379124 281189663 /nfs/dbraw/zinc/18/96/63/281189663.db2.gz VIEZQXLDVYCORT-DLBZAZTESA-N 2 1 322.497 2.127 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cccc(F)c2)CC1 ZINC000105862589 525750598 /nfs/dbraw/zinc/75/05/98/525750598.db2.gz QTLUCBXUPQXICY-HNNXBMFYSA-N 2 1 324.440 2.229 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247223737 535645190 /nfs/dbraw/zinc/64/51/90/535645190.db2.gz YTUHVZFATBMZEQ-LZWOXQAQSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247223737 535645197 /nfs/dbraw/zinc/64/51/97/535645197.db2.gz YTUHVZFATBMZEQ-LZWOXQAQSA-N 2 1 306.454 2.349 10 0 DEAEMP CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261783624 535668868 /nfs/dbraw/zinc/66/88/68/535668868.db2.gz BOEMMJLWFXWMBU-YQQAZPJKSA-N 2 1 303.450 2.408 10 0 DEAEMP CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309738538 625548617 /nfs/dbraw/zinc/54/86/17/625548617.db2.gz VDAOSVVSDRHDJX-AEFFLSMTSA-N 2 1 303.450 2.237 10 0 DEAEMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261925656 636767806 /nfs/dbraw/zinc/76/78/06/636767806.db2.gz LAYJDHCWZNVYTB-ZJPYXAASSA-N 2 1 304.434 2.121 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382771003 685405427 /nfs/dbraw/zinc/40/54/27/685405427.db2.gz LISGYUNEHTWNJW-NEWSRXKRSA-N 2 1 301.478 2.296 10 0 DEAEMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000713040410 792211507 /nfs/dbraw/zinc/21/15/07/792211507.db2.gz FTIAYZPMTTXYSH-MRXNPFEDSA-N 2 1 305.466 2.244 10 0 DEAEMP Cc1nc[nH]c1CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341228 792218917 /nfs/dbraw/zinc/21/89/17/792218917.db2.gz CGJZOGMJQAFHHW-BBRMVZONSA-N 2 1 312.417 2.102 10 0 DEAEMP COC[C@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620178 792978748 /nfs/dbraw/zinc/97/87/48/792978748.db2.gz LNHVSFNVXGAUHL-CADBVGFASA-N 2 1 318.461 2.027 10 0 DEAEMP CC(=O)NCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693664 793001418 /nfs/dbraw/zinc/00/14/18/793001418.db2.gz PUIUEIJNXABYOE-OTWHNJEPSA-N 2 1 315.461 2.155 10 0 DEAEMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724040873 1143897585 /nfs/dbraw/zinc/89/75/85/1143897585.db2.gz KZXIKCQLEDRESI-SNVBAGLBSA-N 2 1 306.319 2.255 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136666033 282089294 /nfs/dbraw/zinc/08/92/94/282089294.db2.gz MDPJIHZHYADDKF-GTPINHCMSA-N 2 1 324.513 2.280 10 0 DEAEMP COc1ccc(C[N@H+](C)Cc2scnc2C)cc1C(N)=[NH2+] ZINC000087828076 185232492 /nfs/dbraw/zinc/23/24/92/185232492.db2.gz UFRLKTNLMDFTNX-UHFFFAOYSA-N 2 1 304.419 2.376 10 0 DEAEMP COc1ccc(C[N@@H+](C)Cc2scnc2C)cc1C(N)=[NH2+] ZINC000087828076 185232493 /nfs/dbraw/zinc/23/24/93/185232493.db2.gz UFRLKTNLMDFTNX-UHFFFAOYSA-N 2 1 304.419 2.376 10 0 DEAEMP FC(F)(F)C1CC[NH+](C[C@@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000088436678 185250240 /nfs/dbraw/zinc/25/02/40/185250240.db2.gz RBOXIBWZTKBQAS-AWEZNQCLSA-N 2 1 306.372 2.419 10 0 DEAEMP C[NH2+][C@H](C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149573200 186050845 /nfs/dbraw/zinc/05/08/45/186050845.db2.gz VEPAZTZUGDKJFR-DZGCQCFKSA-N 2 1 311.857 2.245 10 0 DEAEMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309717720 539878126 /nfs/dbraw/zinc/87/81/26/539878126.db2.gz MMXCVISXNMQWSX-IEZWGBDMSA-N 2 1 315.461 2.155 10 0 DEAEMP CC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173682685 198240159 /nfs/dbraw/zinc/24/01/59/198240159.db2.gz BGWHMOJPYJAPDJ-RTBURBONSA-N 2 1 320.477 2.135 10 0 DEAEMP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000262353643 291037519 /nfs/dbraw/zinc/03/75/19/291037519.db2.gz HOWMQZSADIMALI-WMZOPIPTSA-N 2 1 321.509 2.489 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382730905 540123429 /nfs/dbraw/zinc/12/34/29/540123429.db2.gz BANYIKHONHKCKN-AEFFLSMTSA-N 2 1 317.477 2.483 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000121447313 355796139 /nfs/dbraw/zinc/79/61/39/355796139.db2.gz UOJHLTGIKRIYLI-SUMDDJOVSA-N 2 1 315.461 2.298 10 0 DEAEMP C[N@@H+](C[C@H](C(N)=S)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000080797766 192192435 /nfs/dbraw/zinc/19/24/35/192192435.db2.gz FBOFPZCYNGMKMB-INIZCTEOSA-N 2 1 305.491 2.330 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262666659 356343566 /nfs/dbraw/zinc/34/35/66/356343566.db2.gz KHDMYCQSUSUALX-VQHPVUNQSA-N 2 1 307.482 2.288 10 0 DEAEMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474200 283157088 /nfs/dbraw/zinc/15/70/88/283157088.db2.gz ZCROUABMQZYINY-NEPXVJNWSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474200 283157092 /nfs/dbraw/zinc/15/70/92/283157092.db2.gz ZCROUABMQZYINY-NEPXVJNWSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474200 283157094 /nfs/dbraw/zinc/15/70/94/283157094.db2.gz ZCROUABMQZYINY-NEPXVJNWSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474200 283157099 /nfs/dbraw/zinc/15/70/99/283157099.db2.gz ZCROUABMQZYINY-NEPXVJNWSA-N 3 1 301.478 2.485 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180490585 199166161 /nfs/dbraw/zinc/16/61/61/199166161.db2.gz RJQNBVXBHLPOOF-KDOFPFPSSA-N 2 1 314.433 2.162 10 0 DEAEMP Cc1ccc(N2CCC(C(=O)NCCCC[NH+](C)C)CC2)[nH+]c1 ZINC000603291990 360780644 /nfs/dbraw/zinc/78/06/44/360780644.db2.gz VEGQXLOQXMMSCC-UHFFFAOYSA-N 2 1 318.465 2.064 10 0 DEAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000193376255 201040266 /nfs/dbraw/zinc/04/02/66/201040266.db2.gz CKHQHHNRTTXOPT-SJORKVTESA-N 2 1 321.465 2.301 10 0 DEAEMP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193376255 201040270 /nfs/dbraw/zinc/04/02/70/201040270.db2.gz CKHQHHNRTTXOPT-SJORKVTESA-N 2 1 321.465 2.301 10 0 DEAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193376255 201040274 /nfs/dbraw/zinc/04/02/74/201040274.db2.gz CKHQHHNRTTXOPT-SJORKVTESA-N 2 1 321.465 2.301 10 0 DEAEMP CC1(C)CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000631078288 368004739 /nfs/dbraw/zinc/00/47/39/368004739.db2.gz SOIDATWFVFZTES-HKUYNNGSSA-N 2 1 318.461 2.171 10 0 DEAEMP CC1(C)CC[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000631078288 368004745 /nfs/dbraw/zinc/00/47/45/368004745.db2.gz SOIDATWFVFZTES-HKUYNNGSSA-N 2 1 318.461 2.171 10 0 DEAEMP CCC[NH2+][C@H]1[C@@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429264 193368314 /nfs/dbraw/zinc/36/83/14/193368314.db2.gz ORDQFFAOXYLHLO-CABCVRRESA-N 2 1 300.487 2.261 10 0 DEAEMP CC[NH2+][C@@H]1[C@@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430085 193368837 /nfs/dbraw/zinc/36/88/37/193368837.db2.gz HKAUMPAKDNSOKI-ZIAGYGMSSA-N 2 1 300.487 2.261 10 0 DEAEMP [NH3+]C[C@H](c1ccc(Br)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457595 193371116 /nfs/dbraw/zinc/37/11/16/193371116.db2.gz HUWLHTGLINCWMR-HUUCEWRRSA-N 2 1 324.266 2.229 10 0 DEAEMP C[C@H](C[N@H+](C)CCOc1cccc(Br)c1)C(N)=[NH2+] ZINC000042459865 183272561 /nfs/dbraw/zinc/27/25/61/183272561.db2.gz TUSMFYIJFMYHII-SNVBAGLBSA-N 2 1 314.227 2.332 10 0 DEAEMP C[C@H](C[N@@H+](C)CCOc1cccc(Br)c1)C(N)=[NH2+] ZINC000042459865 183272563 /nfs/dbraw/zinc/27/25/63/183272563.db2.gz TUSMFYIJFMYHII-SNVBAGLBSA-N 2 1 314.227 2.332 10 0 DEAEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000105861997 194148486 /nfs/dbraw/zinc/14/84/86/194148486.db2.gz QJBIRADISQXMOU-AWEZNQCLSA-N 2 1 324.440 2.359 10 0 DEAEMP CC(C)[N@H+]1CCc2nc(C(C)(C)N3CC[NH2+]CC3)sc2C1 ZINC000109472988 194267477 /nfs/dbraw/zinc/26/74/77/194267477.db2.gz KBXBRIBWYUCGML-UHFFFAOYSA-N 2 1 308.495 2.050 10 0 DEAEMP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CC[N@H+]1C ZINC000110711337 194353632 /nfs/dbraw/zinc/35/36/32/194353632.db2.gz YVKPGXJWXBMSKY-QWRGUYRKSA-N 2 1 316.243 2.068 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)CCC(=O)Nc1ccc(N)cc1Cl ZINC000111131518 194393622 /nfs/dbraw/zinc/39/36/22/194393622.db2.gz HFEYMUDILSYKKU-UHFFFAOYSA-N 2 1 312.845 2.134 10 0 DEAEMP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C(N)=S)c(C)[nH+]1 ZINC000156697018 197134072 /nfs/dbraw/zinc/13/40/72/197134072.db2.gz KCZNIWHSSLFFPU-OLZOCXBDSA-N 2 1 304.463 2.006 10 0 DEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306811 132581417 /nfs/dbraw/zinc/58/14/17/132581417.db2.gz XZKDYBWBZSBJHG-KSSFIOAISA-N 2 1 316.376 2.288 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358183888 133126827 /nfs/dbraw/zinc/12/68/27/133126827.db2.gz FVKGCUXBBPCCAM-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358183888 133126828 /nfs/dbraw/zinc/12/68/28/133126828.db2.gz FVKGCUXBBPCCAM-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358183888 133126829 /nfs/dbraw/zinc/12/68/29/133126829.db2.gz FVKGCUXBBPCCAM-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CC[C@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468114 133184247 /nfs/dbraw/zinc/18/42/47/133184247.db2.gz UFNSNAQLMOTEJD-APWZRJJASA-N 2 1 317.477 2.403 10 0 DEAEMP C[N@@H+](CCCNC(=O)N1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247218975 145129540 /nfs/dbraw/zinc/12/95/40/145129540.db2.gz BNZLDFOBCPWHEG-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP C[NH+](CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247218975 145129542 /nfs/dbraw/zinc/12/95/42/145129542.db2.gz BNZLDFOBCPWHEG-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP C[NH+](CCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247218975 145129544 /nfs/dbraw/zinc/12/95/44/145129544.db2.gz BNZLDFOBCPWHEG-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152015 145149458 /nfs/dbraw/zinc/14/94/58/145149458.db2.gz QWCONAKWUHUDNP-CZUORRHYSA-N 2 1 305.397 2.180 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248828799 145169044 /nfs/dbraw/zinc/16/90/44/145169044.db2.gz APXBVRKYRCBVTB-UXLLHSPISA-N 2 1 303.450 2.283 10 0 DEAEMP C[C@H](C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261737738 145222122 /nfs/dbraw/zinc/22/21/22/145222122.db2.gz NQEHMCIDXFYYSS-LAQRGFTBSA-N 2 1 315.461 2.408 10 0 DEAEMP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261805742 145228033 /nfs/dbraw/zinc/22/80/33/145228033.db2.gz HIMKKMUELKYRPX-HZPDHXFCSA-N 2 1 301.434 2.337 10 0 DEAEMP C[C@@]1(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261919985 145241680 /nfs/dbraw/zinc/24/16/80/145241680.db2.gz BLSSZZDOWHXWGN-VQIMIIECSA-N 2 1 315.461 2.128 10 0 DEAEMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261922144 145241724 /nfs/dbraw/zinc/24/17/24/145241724.db2.gz KONHEEVMZLBMHR-MPESAESLSA-N 2 1 307.438 2.142 10 0 DEAEMP Fc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262016253 145253673 /nfs/dbraw/zinc/25/36/73/145253673.db2.gz WAUQMYKMJNZLBK-OIISXLGYSA-N 2 1 310.388 2.254 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648674 147173483 /nfs/dbraw/zinc/17/34/83/147173483.db2.gz MSBDCVWUUWGYTM-IRXDYDNUSA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648674 147173485 /nfs/dbraw/zinc/17/34/85/147173485.db2.gz MSBDCVWUUWGYTM-IRXDYDNUSA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648674 147173488 /nfs/dbraw/zinc/17/34/88/147173488.db2.gz MSBDCVWUUWGYTM-IRXDYDNUSA-N 2 1 322.497 2.153 10 0 DEAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccccc2F)CC1 ZINC000121373092 402031716 /nfs/dbraw/zinc/03/17/16/402031716.db2.gz OAECKMFADWOKOQ-GOSISDBHSA-N 2 1 319.468 2.470 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccccc2F)CC1 ZINC000121373092 402031718 /nfs/dbraw/zinc/03/17/18/402031718.db2.gz OAECKMFADWOKOQ-GOSISDBHSA-N 2 1 319.468 2.470 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000123468873 402129317 /nfs/dbraw/zinc/12/93/17/402129317.db2.gz YEHTWCUMEPPRAF-BBWFWOEESA-N 2 1 324.513 2.135 10 0 DEAEMP Cc1cccc(CNC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123788081 402146033 /nfs/dbraw/zinc/14/60/33/402146033.db2.gz DOYKTCJACSPCBL-WBVHZDCISA-N 2 1 303.450 2.026 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000124620149 402188913 /nfs/dbraw/zinc/18/89/13/402188913.db2.gz QKYZJSOREIPEPQ-ROUUACIJSA-N 3 1 322.541 2.009 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCN1C ZINC000124620149 402188914 /nfs/dbraw/zinc/18/89/14/402188914.db2.gz QKYZJSOREIPEPQ-ROUUACIJSA-N 2 1 322.541 2.009 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000154088132 402191845 /nfs/dbraw/zinc/19/18/45/402191845.db2.gz MWLIBKYMWRRTCP-CGTJXYLNSA-N 2 1 317.477 2.496 10 0 DEAEMP C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]C1 ZINC000237394860 402407355 /nfs/dbraw/zinc/40/73/55/402407355.db2.gz WWBYJEGWQLXUCW-BFZKSOEOSA-N 2 1 307.482 2.144 10 0 DEAEMP CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCn3cc[nH+]c3C)[C@@H]2C1 ZINC000245570518 402471515 /nfs/dbraw/zinc/47/15/15/402471515.db2.gz GMFCJUCUVAVCGH-BRWVUGGUSA-N 2 1 307.438 2.240 10 0 DEAEMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCn3cc[nH+]c3C)[C@@H]2C1 ZINC000245570518 402471517 /nfs/dbraw/zinc/47/15/17/402471517.db2.gz GMFCJUCUVAVCGH-BRWVUGGUSA-N 2 1 307.438 2.240 10 0 DEAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000178295722 402481073 /nfs/dbraw/zinc/48/10/73/402481073.db2.gz MJHFXNJSFUYPPP-INIZCTEOSA-N 2 1 304.438 2.059 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCCCCC1 ZINC000178295722 402481077 /nfs/dbraw/zinc/48/10/77/402481077.db2.gz MJHFXNJSFUYPPP-INIZCTEOSA-N 2 1 304.438 2.059 10 0 DEAEMP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000168753643 402498661 /nfs/dbraw/zinc/49/86/61/402498661.db2.gz JYBAANUYJYEURA-OAHLLOKOSA-N 2 1 311.429 2.396 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000246721395 402542198 /nfs/dbraw/zinc/54/21/98/402542198.db2.gz YSJAVPPKEXXTBQ-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246721395 402542200 /nfs/dbraw/zinc/54/22/00/402542200.db2.gz YSJAVPPKEXXTBQ-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246721395 402542202 /nfs/dbraw/zinc/54/22/02/402542202.db2.gz YSJAVPPKEXXTBQ-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246962879 402551545 /nfs/dbraw/zinc/55/15/45/402551545.db2.gz JWLBDBMIPHLSKL-LSDHHAIUSA-N 2 1 312.502 2.136 10 0 DEAEMP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178978912 402561397 /nfs/dbraw/zinc/56/13/97/402561397.db2.gz KGMVEMVWYDKLHB-INIZCTEOSA-N 2 1 316.449 2.040 10 0 DEAEMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccco1 ZINC000171192951 402565108 /nfs/dbraw/zinc/56/51/08/402565108.db2.gz URNRDFNZJOIGCO-LSDHHAIUSA-N 2 1 322.453 2.056 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000247479054 402568860 /nfs/dbraw/zinc/56/88/60/402568860.db2.gz VYOOYDLOTCINBQ-VQHPVUNQSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000247479054 402568861 /nfs/dbraw/zinc/56/88/61/402568861.db2.gz VYOOYDLOTCINBQ-VQHPVUNQSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000247479054 402568864 /nfs/dbraw/zinc/56/88/64/402568864.db2.gz VYOOYDLOTCINBQ-VQHPVUNQSA-N 2 1 324.513 2.135 10 0 DEAEMP CO[C@@H]1C[NH+](C/C=C/C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251931118 402651562 /nfs/dbraw/zinc/65/15/62/402651562.db2.gz TXEKBEJYXOVQTQ-YWLVWCMISA-N 2 1 310.482 2.256 10 0 DEAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(F)c1 ZINC000261933509 402719593 /nfs/dbraw/zinc/71/95/93/402719593.db2.gz LZVLFZCQKRHUGS-USXIJHARSA-N 2 1 308.397 2.081 10 0 DEAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000263253201 402750591 /nfs/dbraw/zinc/75/05/91/402750591.db2.gz KAWBSNKVGXCYBZ-NCOADZHNSA-N 2 1 307.482 2.144 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183516444 402773488 /nfs/dbraw/zinc/77/34/88/402773488.db2.gz HEUYPYPLHOMFSQ-GASCZTMLSA-N 2 1 318.465 2.245 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183516444 402773491 /nfs/dbraw/zinc/77/34/91/402773491.db2.gz HEUYPYPLHOMFSQ-GASCZTMLSA-N 2 1 318.465 2.245 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)[nH+]1 ZINC000175252823 402791374 /nfs/dbraw/zinc/79/13/74/402791374.db2.gz PUXDFTZAGUYNFQ-JKSUJKDBSA-N 2 1 318.465 2.379 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175466356 402808968 /nfs/dbraw/zinc/80/89/68/402808968.db2.gz FWBNNTQIMUKUAH-GDBMZVCRSA-N 2 1 321.469 2.096 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175466356 402808969 /nfs/dbraw/zinc/80/89/69/402808969.db2.gz FWBNNTQIMUKUAH-GDBMZVCRSA-N 2 1 321.469 2.096 10 0 DEAEMP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516171 402849805 /nfs/dbraw/zinc/84/98/05/402849805.db2.gz ONPYGJPHAVJWRB-HNNXBMFYSA-N 2 1 318.465 2.429 10 0 DEAEMP Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn2cc[nH+]c12 ZINC000333272818 403713201 /nfs/dbraw/zinc/71/32/01/403713201.db2.gz GIQSYOZNGJDMCX-NWANDNLSSA-N 2 1 313.405 2.234 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333384074 403739579 /nfs/dbraw/zinc/73/95/79/403739579.db2.gz NXBHLDXTCWJMAH-HZPDHXFCSA-N 2 1 324.513 2.328 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836166 405704313 /nfs/dbraw/zinc/70/43/13/405704313.db2.gz QXYDUWYRZNTNQW-CGTJXYLNSA-N 2 1 317.477 2.244 10 0 DEAEMP [NH3+]CCCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851524 405715736 /nfs/dbraw/zinc/71/57/36/405715736.db2.gz NPFQIAQXIGLKIM-KRWDZBQOSA-N 2 1 303.450 2.286 10 0 DEAEMP CC(C)(C)OCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700764 406231998 /nfs/dbraw/zinc/23/19/98/406231998.db2.gz FHULQIFVPSWCAK-SFHVURJKSA-N 2 1 306.450 2.028 10 0 DEAEMP CC(C)(C)OCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700764 406232004 /nfs/dbraw/zinc/23/20/04/406232004.db2.gz FHULQIFVPSWCAK-SFHVURJKSA-N 2 1 306.450 2.028 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118546 406579563 /nfs/dbraw/zinc/57/95/63/406579563.db2.gz AKHSFJKQKXDBTQ-QAPCUYQASA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638119776 406580185 /nfs/dbraw/zinc/58/01/85/406580185.db2.gz VTAQFYFIKLUILD-ZTFGCOKTSA-N 2 1 313.445 2.061 10 0 DEAEMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000638300413 406683224 /nfs/dbraw/zinc/68/32/24/406683224.db2.gz FORDJWKEZUQISA-RDJZCZTQSA-N 2 1 305.466 2.387 10 0 DEAEMP CCc1nn(C)c(C[C@H]([NH3+])C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000129123410 196020998 /nfs/dbraw/zinc/02/09/98/196020998.db2.gz DFMXULWQJGKZEO-WVMKXHBISA-N 2 1 310.873 2.379 10 0 DEAEMP C[NH+](C)C[C@H](NC(=O)[C@H]([NH3+])c1cccs1)c1ccccc1 ZINC000130564645 196092077 /nfs/dbraw/zinc/09/20/77/196092077.db2.gz UJEZUSXTBUCONO-DZGCQCFKSA-N 2 1 303.431 2.167 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000130810646 196111649 /nfs/dbraw/zinc/11/16/49/196111649.db2.gz FANPFGXNCCGHGX-OAHLLOKOSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000130810646 196111651 /nfs/dbraw/zinc/11/16/51/196111651.db2.gz FANPFGXNCCGHGX-OAHLLOKOSA-N 2 1 311.832 2.477 10 0 DEAEMP C[N@H+]1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000134375968 196383757 /nfs/dbraw/zinc/38/37/57/196383757.db2.gz RJMWKASHQMHXDZ-CQSZACIVSA-N 2 1 323.238 2.048 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380937966 424908863 /nfs/dbraw/zinc/90/88/63/424908863.db2.gz KYKCLCPYVIMOFR-FGTMMUONSA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795139 424923778 /nfs/dbraw/zinc/92/37/78/424923778.db2.gz DZHRFUQCNCSDRN-APWZRJJASA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795147 424923850 /nfs/dbraw/zinc/92/38/50/424923850.db2.gz DZHRFUQCNCSDRN-VQIMIIECSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H](CC(N)=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192835 269303376 /nfs/dbraw/zinc/30/33/76/269303376.db2.gz QNHKSXXYTYAHFG-LLLHUVSDSA-N 2 1 301.434 2.036 10 0 DEAEMP COc1cccc2c(N3CCO[C@@H](C[NH+](C)C)C3)cc(C)[nH+]c12 ZINC000124919640 274150023 /nfs/dbraw/zinc/15/00/23/274150023.db2.gz GUUCFLBTHXELNV-AWEZNQCLSA-N 2 1 315.417 2.319 10 0 DEAEMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105166828 277149886 /nfs/dbraw/zinc/14/98/86/277149886.db2.gz MFRPKIVDNINQDD-MRXNPFEDSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000175385636 279309422 /nfs/dbraw/zinc/30/94/22/279309422.db2.gz UAPZPGXDSFUHFU-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175385636 279309423 /nfs/dbraw/zinc/30/94/23/279309423.db2.gz UAPZPGXDSFUHFU-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000175385636 279309424 /nfs/dbraw/zinc/30/94/24/279309424.db2.gz UAPZPGXDSFUHFU-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175364680 279309983 /nfs/dbraw/zinc/30/99/83/279309983.db2.gz DTGIJHDXPMPGTF-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000195516197 281246129 /nfs/dbraw/zinc/24/61/29/281246129.db2.gz QPNNKEXYTSZWRO-HOTGVXAUSA-N 2 1 318.465 2.285 10 0 DEAEMP CN(C)C(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000582702388 337122129 /nfs/dbraw/zinc/12/21/29/337122129.db2.gz LQDJPEKDHUHTJI-KRWDZBQOSA-N 2 1 309.498 2.443 10 0 DEAEMP c1ccc(CCC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000420386792 534484594 /nfs/dbraw/zinc/48/45/94/534484594.db2.gz IUCVNGYDEDASMW-MSOLQXFVSA-N 2 1 300.446 2.320 10 0 DEAEMP CCC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000132352028 520978679 /nfs/dbraw/zinc/97/86/79/520978679.db2.gz DYWGEDUIUJSNSU-MRXNPFEDSA-N 2 1 309.429 2.104 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448281084 528221514 /nfs/dbraw/zinc/22/15/14/528221514.db2.gz KWUVHZUJOBUMAC-KBAYOESNSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281084 528221519 /nfs/dbraw/zinc/22/15/19/528221519.db2.gz KWUVHZUJOBUMAC-KBAYOESNSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448281084 528221523 /nfs/dbraw/zinc/22/15/23/528221523.db2.gz KWUVHZUJOBUMAC-KBAYOESNSA-N 2 1 319.493 2.336 10 0 DEAEMP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000262019313 535488369 /nfs/dbraw/zinc/48/83/69/535488369.db2.gz WLGMLZUXDNTTEY-ZACQAIPSSA-N 2 1 310.482 2.330 10 0 DEAEMP CCN(C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960254 535771007 /nfs/dbraw/zinc/77/10/07/535771007.db2.gz HFFQQPNZQBWVQC-KBPBESRZSA-N 2 1 307.404 2.192 10 0 DEAEMP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261881374 536653407 /nfs/dbraw/zinc/65/34/07/536653407.db2.gz FIEMAQJKRRKYLU-BBWFWOEESA-N 2 1 304.434 2.250 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000742098295 638035511 /nfs/dbraw/zinc/03/55/11/638035511.db2.gz IWFCXFPZMVSUMB-UHFFFAOYSA-N 2 1 306.454 2.210 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)O2 ZINC000386910555 685419772 /nfs/dbraw/zinc/41/97/72/685419772.db2.gz KEAYNOKUMVGVQU-OWCLPIDISA-N 2 1 302.418 2.290 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)O2 ZINC000386910555 685419774 /nfs/dbraw/zinc/41/97/74/685419774.db2.gz KEAYNOKUMVGVQU-OWCLPIDISA-N 2 1 302.418 2.290 10 0 DEAEMP Cn1cccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041381 691990162 /nfs/dbraw/zinc/99/01/62/691990162.db2.gz PKTPNNNGNVYMIQ-GOSISDBHSA-N 2 1 314.433 2.135 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000724036825 777225096 /nfs/dbraw/zinc/22/50/96/777225096.db2.gz QKDMZLFKEXNGII-KXUCPTDWSA-N 2 1 304.303 2.007 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000724036825 777225101 /nfs/dbraw/zinc/22/51/01/777225101.db2.gz QKDMZLFKEXNGII-KXUCPTDWSA-N 2 1 304.303 2.007 10 0 DEAEMP COC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677600 792984268 /nfs/dbraw/zinc/98/42/68/792984268.db2.gz GPPNEXQFSVDBHP-VJANTYMQSA-N 2 1 318.461 2.027 10 0 DEAEMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714778 793004017 /nfs/dbraw/zinc/00/40/17/793004017.db2.gz WFZWQQCKJNUPMB-XSLAGTTESA-N 2 1 315.461 2.154 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748589 1086333407 /nfs/dbraw/zinc/33/34/07/1086333407.db2.gz BPULPXGLKFHHRV-TUVASFSCSA-N 2 1 311.470 2.457 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748589 1086333419 /nfs/dbraw/zinc/33/34/19/1086333419.db2.gz BPULPXGLKFHHRV-TUVASFSCSA-N 2 1 311.470 2.457 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000701867898 1086388094 /nfs/dbraw/zinc/38/80/94/1086388094.db2.gz ODCNLYPQHIGWIK-CQDIZWNASA-N 2 1 323.481 2.458 10 0 DEAEMP COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968392 1086692328 /nfs/dbraw/zinc/69/23/28/1086692328.db2.gz SWRJQSGYDACMKW-DLBZAZTESA-N 2 1 304.434 2.250 10 0 DEAEMP COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000710968392 1086692334 /nfs/dbraw/zinc/69/23/34/1086692334.db2.gz SWRJQSGYDACMKW-DLBZAZTESA-N 2 1 304.434 2.250 10 0 DEAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710973723 1086692352 /nfs/dbraw/zinc/69/23/52/1086692352.db2.gz RCWUCLPZXPWSSQ-AWEZNQCLSA-N 2 1 311.470 2.173 10 0 DEAEMP CCO[C@@H]1C[N@@H+](C[C@H](C)COCc2ccccc2)C[C@H]1C[NH3+] ZINC000719396199 1089083356 /nfs/dbraw/zinc/08/33/56/1089083356.db2.gz FKYVJWYVLSCRTE-CGTJXYLNSA-N 2 1 306.450 2.135 10 0 DEAEMP CC(C)[N@@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724040872 1143897681 /nfs/dbraw/zinc/89/76/81/1143897681.db2.gz KZXIKCQLEDRESI-JTQLQIEISA-N 2 1 306.319 2.255 10 0 DEAEMP CC[NH2+]Cc1c(N(C)C[C@H]2CCC[N@H+]2C)nc2sccn12 ZINC000092633005 185330327 /nfs/dbraw/zinc/33/03/27/185330327.db2.gz AXCJUAPAZLPFHQ-GFCCVEGCSA-N 2 1 307.467 2.036 10 0 DEAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855492 282262751 /nfs/dbraw/zinc/26/27/51/282262751.db2.gz HVMBEFWYHAZBJH-MSOLQXFVSA-N 2 1 315.461 2.061 10 0 DEAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)c1ccc(Br)cn1 ZINC000140201581 186026071 /nfs/dbraw/zinc/02/60/71/186026071.db2.gz UZZKRLXANABLGY-LBPRGKRZSA-N 2 1 307.195 2.325 10 0 DEAEMP C[NH+](C)CCC[N@H+](C)Cc1cc(N)cc(Br)c1 ZINC000148066854 186043394 /nfs/dbraw/zinc/04/33/94/186043394.db2.gz WGIIYJQXPMAGHS-UHFFFAOYSA-N 2 1 300.244 2.415 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)Cc1cc(N)cc(Br)c1 ZINC000148066854 186043396 /nfs/dbraw/zinc/04/33/96/186043396.db2.gz WGIIYJQXPMAGHS-UHFFFAOYSA-N 2 1 300.244 2.415 10 0 DEAEMP CN1CC[N@H+](C)C[C@H]1c1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000149411876 186049677 /nfs/dbraw/zinc/04/96/77/186049677.db2.gz BFSRIZCQNCFYEA-ZDUSSCGKSA-N 2 1 302.447 2.187 10 0 DEAEMP CN1CC[N@@H+](C)C[C@H]1c1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000149411876 186049679 /nfs/dbraw/zinc/04/96/79/186049679.db2.gz BFSRIZCQNCFYEA-ZDUSSCGKSA-N 2 1 302.447 2.187 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@H]2C[N@H+](C)CCN2C)nc1C ZINC000149766451 186052473 /nfs/dbraw/zinc/05/24/73/186052473.db2.gz FQOZVTDDZUXSIL-JSGCOSHPSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@H]2C[N@@H+](C)CCN2C)nc1C ZINC000149766451 186052476 /nfs/dbraw/zinc/05/24/76/186052476.db2.gz FQOZVTDDZUXSIL-JSGCOSHPSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@H]2CN(C)CC[N@@H+]2C)nc1C ZINC000149766451 186052478 /nfs/dbraw/zinc/05/24/78/186052478.db2.gz FQOZVTDDZUXSIL-JSGCOSHPSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@H]2CN(C)CC[N@H+]2C)nc1C ZINC000149766451 186052480 /nfs/dbraw/zinc/05/24/80/186052480.db2.gz FQOZVTDDZUXSIL-JSGCOSHPSA-N 2 1 310.511 2.300 10 0 DEAEMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171471463 186165404 /nfs/dbraw/zinc/16/54/04/186165404.db2.gz GMBARYSWMSLSII-MSOLQXFVSA-N 2 1 315.461 2.376 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309730799 539878654 /nfs/dbraw/zinc/87/86/54/539878654.db2.gz OZRONCHGRXLOMA-RDJZCZTQSA-N 2 1 303.450 2.013 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCCCn1cc[nH+]c1C ZINC000173831574 198258905 /nfs/dbraw/zinc/25/89/05/198258905.db2.gz WOLPOZCDQUJKLD-AWEZNQCLSA-N 2 1 309.458 2.001 10 0 DEAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243174 354705722 /nfs/dbraw/zinc/70/57/22/354705722.db2.gz UHSCBGWAWXQSIK-OAHLLOKOSA-N 2 1 300.450 2.357 10 0 DEAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390871151 540135145 /nfs/dbraw/zinc/13/51/45/540135145.db2.gz GEJOIMPWFBOQNJ-QZTJIDSGSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390871151 540135148 /nfs/dbraw/zinc/13/51/48/540135148.db2.gz GEJOIMPWFBOQNJ-QZTJIDSGSA-N 2 1 320.477 2.274 10 0 DEAEMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000404296036 540145452 /nfs/dbraw/zinc/14/54/52/540145452.db2.gz CYBVNEGOVQDBJR-CUSZFKRNSA-N 2 1 315.461 2.106 10 0 DEAEMP CC1CC[NH+](CCCc2noc([C@@H]([NH3+])C3CCOCC3)n2)CC1 ZINC000328630556 356463544 /nfs/dbraw/zinc/46/35/44/356463544.db2.gz JNGSQNBFRMLBAL-INIZCTEOSA-N 2 1 322.453 2.161 10 0 DEAEMP COC(=O)c1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187120109 200065027 /nfs/dbraw/zinc/06/50/27/200065027.db2.gz UUGZYJVSDCNLDA-GOEBONIOSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187120109 200065028 /nfs/dbraw/zinc/06/50/28/200065028.db2.gz UUGZYJVSDCNLDA-GOEBONIOSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187120109 200065031 /nfs/dbraw/zinc/06/50/31/200065031.db2.gz UUGZYJVSDCNLDA-GOEBONIOSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187120109 200065033 /nfs/dbraw/zinc/06/50/33/200065033.db2.gz UUGZYJVSDCNLDA-GOEBONIOSA-N 2 1 304.434 2.430 10 0 DEAEMP C[C@@H]([NH3+])c1nc(C(=O)Nc2ccccc2C[NH+](C)C)cs1 ZINC000090947645 192961321 /nfs/dbraw/zinc/96/13/21/192961321.db2.gz YVVAHKJHWBBUOH-SNVBAGLBSA-N 2 1 304.419 2.477 10 0 DEAEMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623897628 365213462 /nfs/dbraw/zinc/21/34/62/365213462.db2.gz QJVXBCKFNJLLPU-WDSOQIARSA-N 2 1 318.461 2.171 10 0 DEAEMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623897628 365213464 /nfs/dbraw/zinc/21/34/64/365213464.db2.gz QJVXBCKFNJLLPU-WDSOQIARSA-N 2 1 318.461 2.171 10 0 DEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000091313768 193038776 /nfs/dbraw/zinc/03/87/76/193038776.db2.gz JCQJCHQVZPIGOC-AWEZNQCLSA-N 2 1 313.239 2.259 10 0 DEAEMP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](CCOC)CC(C)C ZINC000093617318 193275355 /nfs/dbraw/zinc/27/53/55/193275355.db2.gz SWIZLCKRIKPPOR-IRXDYDNUSA-N 2 1 300.487 2.122 10 0 DEAEMP CCC(CC)[N@@H+](CCOC)CC[C@@H]1CCC[C@@]1(CO)[NH2+]C ZINC000093617878 193275500 /nfs/dbraw/zinc/27/55/00/193275500.db2.gz UNQOWJKBICOAEG-RDJZCZTQSA-N 2 1 300.487 2.264 10 0 DEAEMP C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CC[NH2+]CC1 ZINC000094024324 193340339 /nfs/dbraw/zinc/34/03/39/193340339.db2.gz DWLPYKHVXGVILV-UHFFFAOYSA-N 2 1 313.804 2.349 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355051 245089342 /nfs/dbraw/zinc/08/93/42/245089342.db2.gz HFKDGSRGIOYKCO-SPUZQDLCSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355051 245089348 /nfs/dbraw/zinc/08/93/48/245089348.db2.gz HFKDGSRGIOYKCO-SPUZQDLCSA-N 2 1 315.461 2.141 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357968265 535449075 /nfs/dbraw/zinc/44/90/75/535449075.db2.gz CPGRFEYIKXATLL-OAHLLOKOSA-N 2 1 312.502 2.136 10 0 DEAEMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000158990957 197317413 /nfs/dbraw/zinc/31/74/13/197317413.db2.gz DTXCLPIVPHQDPC-ZWKOTPCHSA-N 2 1 317.477 2.498 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245462681 285236529 /nfs/dbraw/zinc/23/65/29/285236529.db2.gz GRCHONBKMLJNFW-HZPDHXFCSA-N 2 1 312.502 2.088 10 0 DEAEMP Cn1ccnc1C[N@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCCC3)[C@@H]2C1 ZINC000248142343 257108583 /nfs/dbraw/zinc/10/85/83/257108583.db2.gz QQNOKSQNISMKCC-IKGGRYGDSA-N 2 1 302.466 2.364 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416881 133181005 /nfs/dbraw/zinc/18/10/05/133181005.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](CC)C2)[C@H](C)C1 ZINC000360416881 133181006 /nfs/dbraw/zinc/18/10/06/133181006.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](CC)C2)[C@H](C)C1 ZINC000360416881 133181007 /nfs/dbraw/zinc/18/10/07/133181007.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416881 133181008 /nfs/dbraw/zinc/18/10/08/133181008.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000360416881 133181009 /nfs/dbraw/zinc/18/10/09/133181009.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@H](C)C1 ZINC000360416881 133181010 /nfs/dbraw/zinc/18/10/10/133181010.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)[C@H](C)C1 ZINC000360416881 133181011 /nfs/dbraw/zinc/18/10/11/133181011.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 3 1 311.514 2.055 10 0 DEAEMP c1ccc(N2CCOCC2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563136184 292033736 /nfs/dbraw/zinc/03/37/36/292033736.db2.gz GWQVFCLZWXOCGI-IBGZPJMESA-N 2 1 315.461 2.099 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192058463 145070399 /nfs/dbraw/zinc/07/03/99/145070399.db2.gz GWTJAHIRULTFKD-GJZGRUSLSA-N 2 1 303.406 2.142 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192058463 145070401 /nfs/dbraw/zinc/07/04/01/145070401.db2.gz GWTJAHIRULTFKD-GJZGRUSLSA-N 2 1 303.406 2.142 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246951101 145120284 /nfs/dbraw/zinc/12/02/84/145120284.db2.gz DCIRCPMFZXKLSU-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000246951101 145120286 /nfs/dbraw/zinc/12/02/86/145120286.db2.gz DCIRCPMFZXKLSU-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000246951101 145120288 /nfs/dbraw/zinc/12/02/88/145120288.db2.gz DCIRCPMFZXKLSU-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000247319983 145133665 /nfs/dbraw/zinc/13/36/65/145133665.db2.gz LBMXIXOWOSJUAK-DJIMGWMZSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000247319983 145133666 /nfs/dbraw/zinc/13/36/66/145133666.db2.gz LBMXIXOWOSJUAK-DJIMGWMZSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1C ZINC000247319983 145133667 /nfs/dbraw/zinc/13/36/67/145133667.db2.gz LBMXIXOWOSJUAK-DJIMGWMZSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1C ZINC000247319983 145133668 /nfs/dbraw/zinc/13/36/68/145133668.db2.gz LBMXIXOWOSJUAK-DJIMGWMZSA-N 2 1 324.440 2.118 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000247401410 145135783 /nfs/dbraw/zinc/13/57/83/145135783.db2.gz RCDGLULTMGDLGJ-WMLDXEAASA-N 2 1 303.450 2.207 10 0 DEAEMP OCC1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000248409386 145153706 /nfs/dbraw/zinc/15/37/06/145153706.db2.gz FXDGVNFCNHEOSI-FGTMMUONSA-N 2 1 300.446 2.402 10 0 DEAEMP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539368 145206111 /nfs/dbraw/zinc/20/61/11/145206111.db2.gz CFUIBHYAZDDEPZ-CGTJXYLNSA-N 2 1 315.461 2.013 10 0 DEAEMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261913324 145241166 /nfs/dbraw/zinc/24/11/66/145241166.db2.gz JISHNFZNFIUQAL-QRQLOZEOSA-N 2 1 313.445 2.457 10 0 DEAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262393055 145281705 /nfs/dbraw/zinc/28/17/05/145281705.db2.gz PXMAFBMOUKUJRO-JYJNAYRXSA-N 2 1 309.498 2.391 10 0 DEAEMP C[C@H](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000262455140 145284847 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2.374 10 0 DEAEMP CC[NH+](CC)CCn1c2cc(C)c(C)cc2[nH+]c1NCCO ZINC000006869555 401733436 /nfs/dbraw/zinc/73/34/36/401733436.db2.gz DLBSBSSVKBCHPD-UHFFFAOYSA-N 2 1 304.438 2.399 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000129154499 401799502 /nfs/dbraw/zinc/79/95/02/401799502.db2.gz OYCDWPUIIJKQBS-IRXDYDNUSA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000129154499 401799504 /nfs/dbraw/zinc/79/95/04/401799504.db2.gz OYCDWPUIIJKQBS-IRXDYDNUSA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000129154499 401799508 /nfs/dbraw/zinc/79/95/08/401799508.db2.gz OYCDWPUIIJKQBS-IRXDYDNUSA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000127812794 401751213 /nfs/dbraw/zinc/75/12/13/401751213.db2.gz QHYOTFKJSMOBDT-CVEARBPZSA-N 2 1 312.502 2.090 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000113600767 401783332 /nfs/dbraw/zinc/78/33/32/401783332.db2.gz DCIRCPMFZXKLSU-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000113600767 401783336 /nfs/dbraw/zinc/78/33/36/401783336.db2.gz DCIRCPMFZXKLSU-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000113600767 401783338 /nfs/dbraw/zinc/78/33/38/401783338.db2.gz DCIRCPMFZXKLSU-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CC(C)CCOCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399839 401851344 /nfs/dbraw/zinc/85/13/44/401851344.db2.gz FXBWVSWUWDWQMX-SFHVURJKSA-N 2 1 311.514 2.151 10 0 DEAEMP CC(C)CCOCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399839 401851345 /nfs/dbraw/zinc/85/13/45/401851345.db2.gz FXBWVSWUWDWQMX-SFHVURJKSA-N 2 1 311.514 2.151 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000132331643 401865771 /nfs/dbraw/zinc/86/57/71/401865771.db2.gz JVSGPABIGGJRKC-IRXDYDNUSA-N 2 1 324.513 2.136 10 0 DEAEMP COc1cccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136067147 401959081 /nfs/dbraw/zinc/95/90/81/401959081.db2.gz RUBRCIYFCJSXCC-GOSISDBHSA-N 2 1 317.477 2.297 10 0 DEAEMP COc1cccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136067147 401959082 /nfs/dbraw/zinc/95/90/82/401959082.db2.gz RUBRCIYFCJSXCC-GOSISDBHSA-N 2 1 317.477 2.297 10 0 DEAEMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047971112 401991487 /nfs/dbraw/zinc/99/14/87/401991487.db2.gz KJZHYKQUAWHUQR-CALCHBBNSA-N 2 1 321.509 2.299 10 0 DEAEMP CC(C)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154713165 402227268 /nfs/dbraw/zinc/22/72/68/402227268.db2.gz PFWXLACWYIAILP-KRWDZBQOSA-N 2 1 309.498 2.345 10 0 DEAEMP CC[N@@H+](CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000107843718 402241802 /nfs/dbraw/zinc/24/18/02/402241802.db2.gz QSDBCKAURUPICC-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@@H+](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000105294400 402207728 /nfs/dbraw/zinc/20/77/28/402207728.db2.gz UABUFDQMJBLURB-UHFFFAOYSA-N 2 1 322.497 2.131 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185040505 402319524 /nfs/dbraw/zinc/31/95/24/402319524.db2.gz GPPUMVKBPCVJCA-UHFFFAOYSA-N 2 1 314.393 2.102 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185040505 402319527 /nfs/dbraw/zinc/31/95/27/402319527.db2.gz GPPUMVKBPCVJCA-UHFFFAOYSA-N 2 1 314.393 2.102 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000177502875 402409979 /nfs/dbraw/zinc/40/99/79/402409979.db2.gz HTTOPUPSOXSGHF-UHFFFAOYSA-N 2 1 322.453 2.199 10 0 DEAEMP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCOCC2 ZINC000186323689 402421209 /nfs/dbraw/zinc/42/12/09/402421209.db2.gz HOARIGLLWSOKFP-SJORKVTESA-N 2 1 310.482 2.425 10 0 DEAEMP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCOCC2 ZINC000186323689 402421211 /nfs/dbraw/zinc/42/12/11/402421211.db2.gz HOARIGLLWSOKFP-SJORKVTESA-N 2 1 310.482 2.425 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC000178294967 402481000 /nfs/dbraw/zinc/48/10/00/402481000.db2.gz CEKKVCHIVDERSU-KRWDZBQOSA-N 2 1 318.465 2.303 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC000178294967 402481003 /nfs/dbraw/zinc/48/10/03/402481003.db2.gz CEKKVCHIVDERSU-KRWDZBQOSA-N 2 1 318.465 2.303 10 0 DEAEMP CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178312931 402484271 /nfs/dbraw/zinc/48/42/71/402484271.db2.gz ULKLXVSRNHIQRP-INIZCTEOSA-N 2 1 306.454 2.352 10 0 DEAEMP CCCCCCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178312931 402484273 /nfs/dbraw/zinc/48/42/73/402484273.db2.gz ULKLXVSRNHIQRP-INIZCTEOSA-N 2 1 306.454 2.352 10 0 DEAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018894 402553733 /nfs/dbraw/zinc/55/37/33/402553733.db2.gz MADGXEIVEGNKEL-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018894 402553734 /nfs/dbraw/zinc/55/37/34/402553734.db2.gz MADGXEIVEGNKEL-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018894 402553735 /nfs/dbraw/zinc/55/37/35/402553735.db2.gz MADGXEIVEGNKEL-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018894 402553736 /nfs/dbraw/zinc/55/37/36/402553736.db2.gz MADGXEIVEGNKEL-YOEHRIQHSA-N 2 1 303.450 2.208 10 0 DEAEMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000179039980 402567267 /nfs/dbraw/zinc/56/72/67/402567267.db2.gz RCCTWSFOIOKCJE-MRXNPFEDSA-N 2 1 320.481 2.157 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553909 402536350 /nfs/dbraw/zinc/53/63/50/402536350.db2.gz YSTNGUSBCVTXCM-VQHPVUNQSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553909 402536354 /nfs/dbraw/zinc/53/63/54/402536354.db2.gz YSTNGUSBCVTXCM-VQHPVUNQSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553909 402536356 /nfs/dbraw/zinc/53/63/56/402536356.db2.gz YSTNGUSBCVTXCM-VQHPVUNQSA-N 2 1 324.513 2.231 10 0 DEAEMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171807574 402623979 /nfs/dbraw/zinc/62/39/79/402623979.db2.gz XNMIZGJDUPERRB-MRXNPFEDSA-N 2 1 302.422 2.060 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC000171929622 402633938 /nfs/dbraw/zinc/63/39/38/402633938.db2.gz PTQBQRONXVTDAR-HNNXBMFYSA-N 2 1 318.461 2.146 10 0 DEAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249982135 402643676 /nfs/dbraw/zinc/64/36/76/402643676.db2.gz YSVWZOOCZYZVIT-YJBOKZPZSA-N 2 1 306.450 2.015 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000173327947 402692940 /nfs/dbraw/zinc/69/29/40/402692940.db2.gz LQFGGGRGRLHKPZ-DLBZAZTESA-N 2 1 324.513 2.373 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194960061 402824510 /nfs/dbraw/zinc/82/45/10/402824510.db2.gz UARUWUSRMQAZMY-MRXNPFEDSA-N 2 1 310.486 2.034 10 0 DEAEMP Cn1c2ccc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2sc1=O ZINC000194990547 402825619 /nfs/dbraw/zinc/82/56/19/402825619.db2.gz ROFXRGNRRQZOGH-CQSZACIVSA-N 2 1 319.474 2.374 10 0 DEAEMP Cn1c2ccc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc2sc1=O ZINC000194990547 402825620 /nfs/dbraw/zinc/82/56/20/402825620.db2.gz ROFXRGNRRQZOGH-CQSZACIVSA-N 2 1 319.474 2.374 10 0 DEAEMP Cn1c2ccc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc2sc1=O ZINC000194990547 402825624 /nfs/dbraw/zinc/82/56/24/402825624.db2.gz ROFXRGNRRQZOGH-CQSZACIVSA-N 2 1 319.474 2.374 10 0 DEAEMP Cn1c2ccc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc2sc1=O ZINC000194990547 402825626 /nfs/dbraw/zinc/82/56/26/402825626.db2.gz ROFXRGNRRQZOGH-CQSZACIVSA-N 2 1 319.474 2.374 10 0 DEAEMP C[C@H](CCNC(=O)c1c[nH+]ccc1N(C)C)[NH+]1CCCCC1 ZINC000184441664 402843906 /nfs/dbraw/zinc/84/39/06/402843906.db2.gz UIPNCZOOYKKBDA-CQSZACIVSA-N 2 1 304.438 2.142 10 0 DEAEMP Cc1cn2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2n1 ZINC000266768324 402989935 /nfs/dbraw/zinc/98/99/35/402989935.db2.gz RTFNNFIIDZYWAP-CABCVRRESA-N 2 1 313.405 2.343 10 0 DEAEMP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000377571363 404839850 /nfs/dbraw/zinc/83/98/50/404839850.db2.gz KCDZGPRNICMHSE-BFYDXBDKSA-N 2 1 303.450 2.011 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000634724426 406248884 /nfs/dbraw/zinc/24/88/84/406248884.db2.gz PWNLPJFHWBCGLF-YUELXQCFSA-N 2 1 316.367 2.267 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000634724426 406248887 /nfs/dbraw/zinc/24/88/87/406248887.db2.gz PWNLPJFHWBCGLF-YUELXQCFSA-N 2 1 316.367 2.267 10 0 DEAEMP CC[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637869556 406454773 /nfs/dbraw/zinc/45/47/73/406454773.db2.gz XJFLPZXUVNPARP-OAHLLOKOSA-N 2 1 303.450 2.285 10 0 DEAEMP CCc1nn(C)c(C[C@@H]([NH3+])C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000129123635 196021055 /nfs/dbraw/zinc/02/10/55/196021055.db2.gz DFMXULWQJGKZEO-PSEXLTFBSA-N 2 1 310.873 2.379 10 0 DEAEMP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])c2cccs2)CC1 ZINC000130522733 196087618 /nfs/dbraw/zinc/08/76/18/196087618.db2.gz KUFRNHTVEODILI-OAHLLOKOSA-N 2 1 309.479 2.328 10 0 DEAEMP Cc1nc([C@@H](C)[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(C)s1 ZINC000130625964 196096935 /nfs/dbraw/zinc/09/69/35/196096935.db2.gz RHIOIVKZZPXYQH-ABAIWWIYSA-N 2 1 308.495 2.318 10 0 DEAEMP Cc1nc([C@@H](C)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)c(C)s1 ZINC000130625964 196096939 /nfs/dbraw/zinc/09/69/39/196096939.db2.gz RHIOIVKZZPXYQH-ABAIWWIYSA-N 2 1 308.495 2.318 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000195258115 225199927 /nfs/dbraw/zinc/19/99/27/225199927.db2.gz JNWTVPWQAOPXMS-HNNXBMFYSA-N 2 1 311.495 2.368 10 0 DEAEMP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876282 424849280 /nfs/dbraw/zinc/84/92/80/424849280.db2.gz SHIGFVAOIGEGMK-CABCVRRESA-N 2 1 320.481 2.368 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390750920 424917834 /nfs/dbraw/zinc/91/78/34/424917834.db2.gz SIIXPVXWJJQBFX-SJORKVTESA-N 2 1 303.450 2.141 10 0 DEAEMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665576 269112765 /nfs/dbraw/zinc/11/27/65/269112765.db2.gz HCSFTDJSTUCGIS-KBPBESRZSA-N 2 1 322.453 2.198 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)[C@H](C)C1 ZINC000089640695 276228812 /nfs/dbraw/zinc/22/88/12/276228812.db2.gz CJLKGSWBWAUASG-KGLIPLIRSA-N 2 1 309.479 2.188 10 0 DEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246915093 282000267 /nfs/dbraw/zinc/00/02/67/282000267.db2.gz GFYKTKVHSZTWRA-HIFRSBDPSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246915093 282000270 /nfs/dbraw/zinc/00/02/70/282000270.db2.gz GFYKTKVHSZTWRA-HIFRSBDPSA-N 2 1 306.454 2.349 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000246260731 521718108 /nfs/dbraw/zinc/71/81/08/521718108.db2.gz LASMEGGLEJSSBE-MKXAEBJUSA-N 2 1 307.482 2.096 10 0 DEAEMP C[C@H](CC[NH2+]C1CCN(C(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156199713 524193940 /nfs/dbraw/zinc/19/39/40/524193940.db2.gz IUMJHNHGSFJASG-OAHLLOKOSA-N 2 1 318.465 2.030 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246281079 535874266 /nfs/dbraw/zinc/87/42/66/535874266.db2.gz JZVIEWATNJGQKA-BZUAXINKSA-N 2 1 324.513 2.231 10 0 DEAEMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261914326 536645347 /nfs/dbraw/zinc/64/53/47/536645347.db2.gz JKRQAGCGVSYMDL-XWTMOSNGSA-N 2 1 322.424 2.260 10 0 DEAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(F)c1 ZINC000261933506 536897464 /nfs/dbraw/zinc/89/74/64/536897464.db2.gz LZVLFZCQKRHUGS-DJIMGWMZSA-N 2 1 308.397 2.081 10 0 DEAEMP Cc1nc(N)nc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309743493 625547337 /nfs/dbraw/zinc/54/73/37/625547337.db2.gz SRPISSRFRLVZLF-KRWDZBQOSA-N 2 1 312.421 2.086 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(Cl)s2)CC1 ZINC000175432746 648347688 /nfs/dbraw/zinc/34/76/88/648347688.db2.gz ZNUUHELPYSCNGH-NSHDSACASA-N 2 1 317.886 2.321 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261547906 648428299 /nfs/dbraw/zinc/42/82/99/648428299.db2.gz MTVIRHDNXHLMLW-WBVHZDCISA-N 2 1 317.477 2.401 10 0 DEAEMP COC(OC)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381757094 685402300 /nfs/dbraw/zinc/40/23/00/685402300.db2.gz GTONBNPIIOTJRC-HLLBOEOZSA-N 2 1 306.450 2.494 10 0 DEAEMP Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N)[nH+]1 ZINC000382894774 685405059 /nfs/dbraw/zinc/40/50/59/685405059.db2.gz LMSDOXCLKVKYDF-HNNXBMFYSA-N 2 1 311.433 2.298 10 0 DEAEMP C[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000721853495 780371266 /nfs/dbraw/zinc/37/12/66/780371266.db2.gz AIAKKABRMVNWIX-AWEZNQCLSA-N 2 1 311.470 2.316 10 0 DEAEMP O[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638677 792981844 /nfs/dbraw/zinc/98/18/44/792981844.db2.gz PUYHTDDGTYRZBK-OYSTVDSJSA-N 2 1 300.446 2.400 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747424 801849161 /nfs/dbraw/zinc/84/91/61/801849161.db2.gz LDHKSNOITOODCU-HOCLYGCPSA-N 2 1 323.481 2.483 10 0 DEAEMP C[NH2+]CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719657716 1092378208 /nfs/dbraw/zinc/37/82/08/1092378208.db2.gz BGEMLZKTVIJEIZ-KRWDZBQOSA-N 2 1 303.450 2.014 10 0 DEAEMP C[N@@H+]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311193 185174919 /nfs/dbraw/zinc/17/49/19/185174919.db2.gz LLUDMVOKGZLXJG-GOSISDBHSA-N 2 1 315.461 2.205 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311193 185174920 /nfs/dbraw/zinc/17/49/20/185174920.db2.gz LLUDMVOKGZLXJG-GOSISDBHSA-N 2 1 315.461 2.205 10 0 DEAEMP [NH3+]C[C@]1(Nc2cccc(Br)c2)CC[N@H+](C2CC2)C1 ZINC000087915086 185237463 /nfs/dbraw/zinc/23/74/63/185237463.db2.gz RBYNBEFMHJROJJ-CQSZACIVSA-N 2 1 310.239 2.427 10 0 DEAEMP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071736496 191019287 /nfs/dbraw/zinc/01/92/87/191019287.db2.gz PCTJUKWCACDUEM-QGZVFWFLSA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071736496 191019290 /nfs/dbraw/zinc/01/92/90/191019290.db2.gz PCTJUKWCACDUEM-QGZVFWFLSA-N 2 1 318.465 2.160 10 0 DEAEMP NC(=O)c1csc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152689154 186097340 /nfs/dbraw/zinc/09/73/40/186097340.db2.gz BFDZNBVSQFDJTN-UHFFFAOYSA-N 2 1 307.463 2.155 10 0 DEAEMP C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661776 356208880 /nfs/dbraw/zinc/20/88/80/356208880.db2.gz JFKNBGKIDGOUHU-UXLLHSPISA-N 2 1 312.498 2.405 10 0 DEAEMP C[N@@H+](CCCNC(=O)C[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000309536883 356410294 /nfs/dbraw/zinc/41/02/94/356410294.db2.gz IREPTVFCRVHZAA-QGZVFWFLSA-N 2 1 303.450 2.014 10 0 DEAEMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000248422379 295934717 /nfs/dbraw/zinc/93/47/17/295934717.db2.gz CFZGHEALGYOXHP-KFWWJZLASA-N 2 1 318.465 2.244 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180589363 199180682 /nfs/dbraw/zinc/18/06/82/199180682.db2.gz WKOHCONEJQIXMF-XJKSGUPXSA-N 2 1 322.416 2.438 10 0 DEAEMP Cc1ccc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)ccc2n1 ZINC000189278060 200374884 /nfs/dbraw/zinc/37/48/84/200374884.db2.gz DWNZCHBIVUKHBG-GOSISDBHSA-N 2 1 313.445 2.480 10 0 DEAEMP C[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721365 193096574 /nfs/dbraw/zinc/09/65/74/193096574.db2.gz XWLJAFJDQAYHFV-BMFZPTHFSA-N 2 1 312.816 2.473 10 0 DEAEMP C[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721365 193096576 /nfs/dbraw/zinc/09/65/76/193096576.db2.gz XWLJAFJDQAYHFV-BMFZPTHFSA-N 2 1 312.816 2.473 10 0 DEAEMP COc1ccc(Cl)cc1C[C@H]([NH3+])[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720254 193096598 /nfs/dbraw/zinc/09/65/98/193096598.db2.gz YTPZWOCGMVCIEA-YCPHGPKFSA-N 2 1 310.825 2.082 10 0 DEAEMP COc1ccc(Br)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838505 368415696 /nfs/dbraw/zinc/41/56/96/368415696.db2.gz PLZGAQYCCDCRRS-JQWIXIFHSA-N 2 1 313.239 2.484 10 0 DEAEMP COc1ccc(Br)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838505 368415700 /nfs/dbraw/zinc/41/57/00/368415700.db2.gz PLZGAQYCCDCRRS-JQWIXIFHSA-N 2 1 313.239 2.484 10 0 DEAEMP C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631844272 368420205 /nfs/dbraw/zinc/42/02/05/368420205.db2.gz WDHIKHNDPWZWOL-RYUDHWBXSA-N 2 1 313.239 2.355 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000093142280 193207139 /nfs/dbraw/zinc/20/71/39/193207139.db2.gz SVRMGPHBYQTHRB-GOSISDBHSA-N 2 1 319.493 2.219 10 0 DEAEMP CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756558 193301026 /nfs/dbraw/zinc/30/10/26/193301026.db2.gz RZTXPYGJWGORKE-YPMHNXCESA-N 2 1 309.376 2.035 10 0 DEAEMP CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756558 193301028 /nfs/dbraw/zinc/30/10/28/193301028.db2.gz RZTXPYGJWGORKE-YPMHNXCESA-N 2 1 309.376 2.035 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CC[C@@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857098 193319847 /nfs/dbraw/zinc/31/98/47/193319847.db2.gz ZYICVWIUZJKNEX-SJORKVTESA-N 2 1 300.487 2.407 10 0 DEAEMP OC[C@]1([NH2+]C2CC2)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093857504 193320107 /nfs/dbraw/zinc/32/01/07/193320107.db2.gz QEXPFDGUEVTWMZ-KBPBESRZSA-N 2 1 306.372 2.296 10 0 DEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635753 193385843 /nfs/dbraw/zinc/38/58/43/193385843.db2.gz NSXKJSYDRMDLGX-GJZGRUSLSA-N 2 1 304.500 2.052 10 0 DEAEMP [NH3+]C[C@@H](c1ccccc1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457328 193370705 /nfs/dbraw/zinc/37/07/05/193370705.db2.gz SSQHDNKLLDPONK-DOMZBBRYSA-N 2 1 324.266 2.229 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105125113 194076281 /nfs/dbraw/zinc/07/62/81/194076281.db2.gz KLJFILVKUUMPDJ-JKSUJKDBSA-N 2 1 312.502 2.136 10 0 DEAEMP CCOCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915712 194169252 /nfs/dbraw/zinc/16/92/52/194169252.db2.gz KHKHQNVDKSNNJZ-LJQANCHMSA-N 2 1 320.477 2.400 10 0 DEAEMP C[N@@H+](CCCCO)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915639 194169514 /nfs/dbraw/zinc/16/95/14/194169514.db2.gz BCNIIWMVONWFJQ-LJQANCHMSA-N 2 1 320.477 2.136 10 0 DEAEMP COCC[NH2+]Cc1c(Cl)cccc1N1CCC[N@@H+](C)CC1 ZINC000062734910 184251527 /nfs/dbraw/zinc/25/15/27/184251527.db2.gz SUTPRFQVYYGBOF-UHFFFAOYSA-N 2 1 311.857 2.218 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000539417229 285076770 /nfs/dbraw/zinc/07/67/70/285076770.db2.gz HCFRWHUEGXSCEH-GOSISDBHSA-N 2 1 317.477 2.451 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000155571601 197068363 /nfs/dbraw/zinc/06/83/63/197068363.db2.gz WSPWAHPBCNVSNK-HZPDHXFCSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000155571601 197068365 /nfs/dbraw/zinc/06/83/65/197068365.db2.gz WSPWAHPBCNVSNK-HZPDHXFCSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000155571601 197068366 /nfs/dbraw/zinc/06/83/66/197068366.db2.gz WSPWAHPBCNVSNK-HZPDHXFCSA-N 2 1 312.502 2.136 10 0 DEAEMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC4OCCO4)C[C@H]3C2)cc1 ZINC000377778130 133346705 /nfs/dbraw/zinc/34/67/05/133346705.db2.gz OWABDGDJTJUHHI-QZTJIDSGSA-N 2 1 316.445 2.203 10 0 DEAEMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC4OCCO4)C[C@H]3C2)cc1 ZINC000377778130 133346706 /nfs/dbraw/zinc/34/67/06/133346706.db2.gz OWABDGDJTJUHHI-QZTJIDSGSA-N 2 1 316.445 2.203 10 0 DEAEMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4OCCO4)C[C@H]3C2)cc1 ZINC000377778130 133346707 /nfs/dbraw/zinc/34/67/07/133346707.db2.gz OWABDGDJTJUHHI-QZTJIDSGSA-N 2 1 316.445 2.203 10 0 DEAEMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000192544792 145074895 /nfs/dbraw/zinc/07/48/95/145074895.db2.gz OLIYMJAMATYFBG-CQSZACIVSA-N 2 1 304.438 2.359 10 0 DEAEMP Cc1cc(C)n(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2)n1 ZINC000193657664 145089171 /nfs/dbraw/zinc/08/91/71/145089171.db2.gz HLGINWXAHJOVNM-HDICACEKSA-N 2 1 310.445 2.483 10 0 DEAEMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)n1 ZINC000193657664 145089173 /nfs/dbraw/zinc/08/91/73/145089173.db2.gz HLGINWXAHJOVNM-HDICACEKSA-N 2 1 310.445 2.483 10 0 DEAEMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195336323 145091490 /nfs/dbraw/zinc/09/14/90/145091490.db2.gz JMXSVWHROAUTFS-SFHVURJKSA-N 2 1 313.445 2.203 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402947 145101632 /nfs/dbraw/zinc/10/16/32/145101632.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 2 1 313.449 2.429 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402947 145101633 /nfs/dbraw/zinc/10/16/33/145101633.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 2 1 313.449 2.429 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402947 145101634 /nfs/dbraw/zinc/10/16/34/145101634.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 2 1 313.449 2.429 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402947 145101635 /nfs/dbraw/zinc/10/16/35/145101635.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 2 1 313.449 2.429 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246948763 145120452 /nfs/dbraw/zinc/12/04/52/145120452.db2.gz SAMNBPSGXXPMLY-MGNMYUMUSA-N 2 1 322.497 2.175 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948763 145120454 /nfs/dbraw/zinc/12/04/54/145120454.db2.gz SAMNBPSGXXPMLY-MGNMYUMUSA-N 2 1 322.497 2.175 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246948763 145120457 /nfs/dbraw/zinc/12/04/57/145120457.db2.gz SAMNBPSGXXPMLY-MGNMYUMUSA-N 2 1 322.497 2.175 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261559654 145208146 /nfs/dbraw/zinc/20/81/46/145208146.db2.gz ZEJCLZSUTIPIEJ-BZSNNMDCSA-N 2 1 315.461 2.094 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2c1NCC2 ZINC000261787639 145226353 /nfs/dbraw/zinc/22/63/53/145226353.db2.gz FYZMFDCLBNZBAJ-KURKYZTESA-N 2 1 315.461 2.338 10 0 DEAEMP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000261810527 145228868 /nfs/dbraw/zinc/22/88/68/145228868.db2.gz MPSVRRMYQLRMGP-NAZJXLNTSA-N 2 1 315.461 2.248 10 0 DEAEMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1C ZINC000261862355 145234302 /nfs/dbraw/zinc/23/43/02/145234302.db2.gz CEZQWFSUALGPBL-BRWVUGGUSA-N 2 1 304.434 2.250 10 0 DEAEMP C[C@H]1C[C@H](CCNC2=[NH+]CCCN2)C[N@H+]1Cc1ccccc1 ZINC000261862067 145234743 /nfs/dbraw/zinc/23/47/43/145234743.db2.gz NHVGXAAXOQTVDJ-RDJZCZTQSA-N 2 1 300.450 2.226 10 0 DEAEMP CCOC(=O)[C@H]1C[N@@H+](CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261920480 145241796 /nfs/dbraw/zinc/24/17/96/145241796.db2.gz KJMXOIKSSYJNPD-KRWDZBQOSA-N 2 1 302.418 2.149 10 0 DEAEMP C[N@H+]1CC[C@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261928915 145243232 /nfs/dbraw/zinc/24/32/32/145243232.db2.gz CBGWTMYXLSVOMI-IUODEOHRSA-N 2 1 324.831 2.411 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1F ZINC000262038498 145256149 /nfs/dbraw/zinc/25/61/49/145256149.db2.gz YHJIZKSHNRFTOK-MUIFIZLQSA-N 2 1 322.424 2.340 10 0 DEAEMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258545 /nfs/dbraw/zinc/25/85/45/145258545.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258546 /nfs/dbraw/zinc/25/85/46/145258546.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258548 /nfs/dbraw/zinc/25/85/48/145258548.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086786 145261007 /nfs/dbraw/zinc/26/10/07/145261007.db2.gz ULOVINYMXBVUDK-QAPCUYQASA-N 2 1 316.449 2.040 10 0 DEAEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121139625 402016955 /nfs/dbraw/zinc/01/69/55/402016955.db2.gz VDCPWBBFSAKQQW-HNNXBMFYSA-N 2 1 306.450 2.220 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1C ZINC000123210709 402115866 /nfs/dbraw/zinc/11/58/66/402115866.db2.gz LTLAFSBOPROUNZ-NVXWUHKLSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1C ZINC000123210709 402115871 /nfs/dbraw/zinc/11/58/71/402115871.db2.gz LTLAFSBOPROUNZ-NVXWUHKLSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123210709 402115874 /nfs/dbraw/zinc/11/58/74/402115874.db2.gz LTLAFSBOPROUNZ-NVXWUHKLSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123210709 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10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177058658 402365449 /nfs/dbraw/zinc/36/54/49/402365449.db2.gz OOZNEURSDFSNCN-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177058658 402365452 /nfs/dbraw/zinc/36/54/52/402365452.db2.gz OOZNEURSDFSNCN-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177058658 402365454 /nfs/dbraw/zinc/36/54/54/402365454.db2.gz OOZNEURSDFSNCN-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177058658 402365458 /nfs/dbraw/zinc/36/54/58/402365458.db2.gz OOZNEURSDFSNCN-BRWVUGGUSA-N 2 1 306.450 2.149 10 0 DEAEMP CCn1cnnc1[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163481415 402451196 /nfs/dbraw/zinc/45/11/96/402451196.db2.gz APENAFJMUSOVFC-MRXNPFEDSA-N 2 1 316.453 2.463 10 0 DEAEMP CCn1cnnc1[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163481415 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Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000178304851 402482241 /nfs/dbraw/zinc/48/22/41/402482241.db2.gz HTBYNHCDOQGFCI-GOEBONIOSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000178304851 402482244 /nfs/dbraw/zinc/48/22/44/402482244.db2.gz HTBYNHCDOQGFCI-GOEBONIOSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178847842 402546641 /nfs/dbraw/zinc/54/66/41/402546641.db2.gz CXKYGYZPSWPXPL-UAGQMJEPSA-N 2 1 318.465 2.208 10 0 DEAEMP CC1(C)CCC[N@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000171066920 402554129 /nfs/dbraw/zinc/55/41/29/402554129.db2.gz JEUADUVQQDKIGK-UHFFFAOYSA-N 2 1 321.490 2.267 10 0 DEAEMP C[N@@H+](C[C@@H](c1cccs1)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000178980820 402562093 /nfs/dbraw/zinc/56/20/93/402562093.db2.gz PPQNIYNPTUQLPZ-INIZCTEOSA-N 2 1 323.506 2.053 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000171239816 402569645 /nfs/dbraw/zinc/56/96/45/402569645.db2.gz MQEHNKXCPORFMP-INIZCTEOSA-N 2 1 312.502 2.282 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000246505801 402534053 /nfs/dbraw/zinc/53/40/53/402534053.db2.gz WUUHZXXCNAUQHC-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP Cc1ncsc1CC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000179251517 402582713 /nfs/dbraw/zinc/58/27/13/402582713.db2.gz NZYXPWXNIFOORR-INIZCTEOSA-N 2 1 322.522 2.096 10 0 DEAEMP Cc1ncsc1CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000179251517 402582716 /nfs/dbraw/zinc/58/27/16/402582716.db2.gz NZYXPWXNIFOORR-INIZCTEOSA-N 2 1 322.522 2.096 10 0 DEAEMP Cc1ncsc1CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000179251517 402582717 /nfs/dbraw/zinc/58/27/17/402582717.db2.gz NZYXPWXNIFOORR-INIZCTEOSA-N 2 1 322.522 2.096 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCOCC2 ZINC000248911815 402614082 /nfs/dbraw/zinc/61/40/82/402614082.db2.gz CGDHDSJRLWFMGH-DJIMGWMZSA-N 2 1 308.466 2.035 10 0 DEAEMP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261805674 402717736 /nfs/dbraw/zinc/71/77/36/402717736.db2.gz HIATWQWKUNETJQ-DLBZAZTESA-N 2 1 308.466 2.430 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000173471275 402698889 /nfs/dbraw/zinc/69/88/89/402698889.db2.gz PPMOHVWKRWYWGU-DLBZAZTESA-N 2 1 307.482 2.192 10 0 DEAEMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182561865 402699416 /nfs/dbraw/zinc/69/94/16/402699416.db2.gz XRSQEIDHUBIUHX-ZOBUZTSGSA-N 2 1 322.497 2.033 10 0 DEAEMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561865 402699417 /nfs/dbraw/zinc/69/94/17/402699417.db2.gz XRSQEIDHUBIUHX-ZOBUZTSGSA-N 2 1 322.497 2.033 10 0 DEAEMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561865 402699419 /nfs/dbraw/zinc/69/94/19/402699419.db2.gz XRSQEIDHUBIUHX-ZOBUZTSGSA-N 2 1 322.497 2.033 10 0 DEAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc(F)ccc2o1 ZINC000182954371 402729406 /nfs/dbraw/zinc/72/94/06/402729406.db2.gz JLQFVUHSSNSKGJ-UHFFFAOYSA-N 2 1 320.412 2.036 10 0 DEAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183388602 402762448 /nfs/dbraw/zinc/76/24/48/402762448.db2.gz PZWDFYDEAWJQEM-OAHLLOKOSA-N 2 1 318.465 2.390 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000175209757 402788148 /nfs/dbraw/zinc/78/81/48/402788148.db2.gz KFXIZUXIOZLDJX-QGZVFWFLSA-N 2 1 320.481 2.320 10 0 DEAEMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333549402 403778409 /nfs/dbraw/zinc/77/84/09/403778409.db2.gz KBUFDSMGEUKCSS-RDJZCZTQSA-N 2 1 322.497 2.225 10 0 DEAEMP C[C@]1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650005 406208038 /nfs/dbraw/zinc/20/80/38/406208038.db2.gz ZBMUOWLEHVPJFT-CVEARBPZSA-N 2 1 310.388 2.258 10 0 DEAEMP C[C@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650005 406208042 /nfs/dbraw/zinc/20/80/42/406208042.db2.gz ZBMUOWLEHVPJFT-CVEARBPZSA-N 2 1 310.388 2.258 10 0 DEAEMP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638079417 406558467 /nfs/dbraw/zinc/55/84/67/406558467.db2.gz DFZLIRBFPMSLQC-FUHWJXTLSA-N 2 1 313.445 2.062 10 0 DEAEMP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638079416 406559070 /nfs/dbraw/zinc/55/90/70/406559070.db2.gz DFZLIRBFPMSLQC-AEFFLSMTSA-N 2 1 313.445 2.062 10 0 DEAEMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638307211 406687718 /nfs/dbraw/zinc/68/77/18/406687718.db2.gz HVEGRDCMZWOGJT-JCGIZDLHSA-N 2 1 313.445 2.061 10 0 DEAEMP CC(C)[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](C)[NH3+] ZINC000399369719 424922687 /nfs/dbraw/zinc/92/26/87/424922687.db2.gz KFTYGLJSOKGLNX-NUJGCVRESA-N 2 1 317.477 2.339 10 0 DEAEMP CC(C)[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](C)[NH3+] ZINC000399369719 424922688 /nfs/dbraw/zinc/92/26/88/424922688.db2.gz KFTYGLJSOKGLNX-NUJGCVRESA-N 2 1 317.477 2.339 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245951850 279275787 /nfs/dbraw/zinc/27/57/87/279275787.db2.gz ZNZZSZNTLDZSLX-SJORKVTESA-N 2 1 307.482 2.338 10 0 DEAEMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901769 289163914 /nfs/dbraw/zinc/16/39/14/289163914.db2.gz WGFZUQNITZPHHK-CRAIPNDOSA-N 2 1 317.481 2.184 10 0 DEAEMP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388498863 333316832 /nfs/dbraw/zinc/31/68/32/333316832.db2.gz NMZZKNZJWHAGJY-IEBWSBKVSA-N 2 1 315.461 2.252 10 0 DEAEMP CN(c1cccc(Br)c1C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000168306408 517941742 /nfs/dbraw/zinc/94/17/42/517941742.db2.gz BXMNHCZSSQFYTA-NSHDSACASA-N 2 1 312.255 2.438 10 0 DEAEMP CC(=O)N(C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C)C1CC1 ZINC000328621375 526494202 /nfs/dbraw/zinc/49/42/02/526494202.db2.gz AJRQTISBGUWXGS-KRWDZBQOSA-N 2 1 304.438 2.057 10 0 DEAEMP CC(=O)N(C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C)C1CC1 ZINC000328621375 526494210 /nfs/dbraw/zinc/49/42/10/526494210.db2.gz AJRQTISBGUWXGS-KRWDZBQOSA-N 2 1 304.438 2.057 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247249534 535266377 /nfs/dbraw/zinc/26/63/77/535266377.db2.gz NNEVRYHXLLJCHW-WBVHZDCISA-N 2 1 322.497 2.129 10 0 DEAEMP CCO[C@@H]1C[C@@]([NH3+])(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C ZINC000262070029 535441470 /nfs/dbraw/zinc/44/14/70/535441470.db2.gz RYXPVCVNYWXSEK-CXAGYDPISA-N 2 1 316.405 2.184 10 0 DEAEMP CC[NH+](CC)CCC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000191588236 535509168 /nfs/dbraw/zinc/50/91/68/535509168.db2.gz IDSBYZZUQXIVFG-UHFFFAOYSA-N 2 1 305.470 2.109 10 0 DEAEMP CCCNC(=O)CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309939276 625285768 /nfs/dbraw/zinc/28/57/68/625285768.db2.gz ZCSOQFYOEFDHDI-FGTMMUONSA-N 2 1 315.461 2.013 10 0 DEAEMP CCCNC(=O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309939276 625285770 /nfs/dbraw/zinc/28/57/70/625285770.db2.gz ZCSOQFYOEFDHDI-FGTMMUONSA-N 2 1 315.461 2.013 10 0 DEAEMP CCCNC(=O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309939276 625285773 /nfs/dbraw/zinc/28/57/73/625285773.db2.gz ZCSOQFYOEFDHDI-FGTMMUONSA-N 2 1 315.461 2.013 10 0 DEAEMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000066243427 625057228 /nfs/dbraw/zinc/05/72/28/625057228.db2.gz YULHAKXZYYLSPS-HNNXBMFYSA-N 2 1 318.465 2.226 10 0 DEAEMP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178877400 636471577 /nfs/dbraw/zinc/47/15/77/636471577.db2.gz OAKWUKQOIVPLQE-RHSMWYFYSA-N 2 1 318.465 2.140 10 0 DEAEMP COC[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721729150 781856748 /nfs/dbraw/zinc/85/67/48/781856748.db2.gz VOGNPQZIUFOTCD-RBUKOAKNSA-N 2 1 320.477 2.132 10 0 DEAEMP COC[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721729150 781856754 /nfs/dbraw/zinc/85/67/54/781856754.db2.gz VOGNPQZIUFOTCD-RBUKOAKNSA-N 2 1 320.477 2.132 10 0 DEAEMP C[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC000090438773 185296552 /nfs/dbraw/zinc/29/65/52/185296552.db2.gz KAFPWTDLBRROKE-GXTWGEPZSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000090438773 185296553 /nfs/dbraw/zinc/29/65/53/185296553.db2.gz KAFPWTDLBRROKE-GXTWGEPZSA-N 2 1 313.239 2.115 10 0 DEAEMP CC(C)C[NH2+]Cc1nc(CN(C)C[C@H]2CCC[N@H+]2C)cs1 ZINC000092674606 185332856 /nfs/dbraw/zinc/33/28/56/185332856.db2.gz VPPLMBQKRJQLTR-OAHLLOKOSA-N 2 1 310.511 2.415 10 0 DEAEMP Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(C)n1 ZINC000186558523 539676081 /nfs/dbraw/zinc/67/60/81/539676081.db2.gz UGSVUYAQCKJPPC-KRWDZBQOSA-N 2 1 311.433 2.447 10 0 DEAEMP Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C)[nH+]1 ZINC000186558523 539676085 /nfs/dbraw/zinc/67/60/85/539676085.db2.gz UGSVUYAQCKJPPC-KRWDZBQOSA-N 2 1 311.433 2.447 10 0 DEAEMP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nc(N)[nH+]1 ZINC000072152422 191057816 /nfs/dbraw/zinc/05/78/16/191057816.db2.gz SZHQQYBEMAEHLW-QGZVFWFLSA-N 2 1 301.438 2.070 10 0 DEAEMP C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149583779 186050787 /nfs/dbraw/zinc/05/07/87/186050787.db2.gz MJRSPINNRPJKBO-HUUCEWRRSA-N 2 1 313.848 2.246 10 0 DEAEMP CSc1nc(N2CCC(C[NH+]3CCCC3)CC2)cc(N)[nH+]1 ZINC000149637748 186052098 /nfs/dbraw/zinc/05/20/98/186052098.db2.gz HYMGHSPXZDVSCC-UHFFFAOYSA-N 2 1 307.467 2.093 10 0 DEAEMP C=Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617507070 363162234 /nfs/dbraw/zinc/16/22/34/363162234.db2.gz HAZQWFDJQRCZDJ-HNNXBMFYSA-N 2 1 303.450 2.331 10 0 DEAEMP C=Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617507070 363162238 /nfs/dbraw/zinc/16/22/38/363162238.db2.gz HAZQWFDJQRCZDJ-HNNXBMFYSA-N 2 1 303.450 2.331 10 0 DEAEMP COC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173682838 198239540 /nfs/dbraw/zinc/23/95/40/198239540.db2.gz RBKBBVWGKBPLFT-LPHOPBHVSA-N 2 1 320.477 2.399 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777632 198383322 /nfs/dbraw/zinc/38/33/22/198383322.db2.gz QWFYDNYFEIEEFF-TZMCWYRMSA-N 2 1 324.856 2.336 10 0 DEAEMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000262405892 291038179 /nfs/dbraw/zinc/03/81/79/291038179.db2.gz RQYGIBSHTVORRV-FJIDUMEYSA-N 2 1 321.509 2.488 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000073654027 191336447 /nfs/dbraw/zinc/33/64/47/191336447.db2.gz ODMOEZPHLWDPEH-CVEARBPZSA-N 2 1 312.502 2.090 10 0 DEAEMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000169790005 355984735 /nfs/dbraw/zinc/98/47/35/355984735.db2.gz RVVJSKMKYMYDIH-QGZVFWFLSA-N 2 1 320.481 2.254 10 0 DEAEMP CC/C=C\CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000588476128 540258271 /nfs/dbraw/zinc/25/82/71/540258271.db2.gz HQCBBKRIYYQVKY-PLNGDYQASA-N 2 1 307.482 2.219 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591550 239039734 /nfs/dbraw/zinc/03/97/34/239039734.db2.gz DLKKCEAQOGXGGN-MJGOQNOKSA-N 3 1 319.493 2.065 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591550 239039742 /nfs/dbraw/zinc/03/97/42/239039742.db2.gz DLKKCEAQOGXGGN-MJGOQNOKSA-N 3 1 319.493 2.065 10 0 DEAEMP [NH3+]C1CC[NH+](C[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000090900027 192943847 /nfs/dbraw/zinc/94/38/47/192943847.db2.gz YWAOWMOHURAPJD-CYBMUJFWSA-N 2 1 311.223 2.176 10 0 DEAEMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643775 193282391 /nfs/dbraw/zinc/28/23/91/193282391.db2.gz WIPCLKWERIDCQP-NVXWUHKLSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643775 193282393 /nfs/dbraw/zinc/28/23/93/193282393.db2.gz WIPCLKWERIDCQP-NVXWUHKLSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643775 193282394 /nfs/dbraw/zinc/28/23/94/193282394.db2.gz WIPCLKWERIDCQP-NVXWUHKLSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1-n1cncn1 ZINC000093643775 193282396 /nfs/dbraw/zinc/28/23/96/193282396.db2.gz WIPCLKWERIDCQP-NVXWUHKLSA-N 2 1 313.449 2.490 10 0 DEAEMP C[N@H+]1CCC[C@@H]1CCOc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334490 193360188 /nfs/dbraw/zinc/36/01/88/193360188.db2.gz RZBLJAZMLSDGQP-LLVKDONJSA-N 2 1 303.328 2.422 10 0 DEAEMP C[C@H](C[N@@H+](C)CCOc1ccc(Br)cc1)C(N)=[NH2+] ZINC000042459869 183272536 /nfs/dbraw/zinc/27/25/36/183272536.db2.gz QMOPFQXUVAPXCW-SNVBAGLBSA-N 2 1 314.227 2.332 10 0 DEAEMP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918454 194168615 /nfs/dbraw/zinc/16/86/15/194168615.db2.gz MXSVPMVVDWDHIW-HNNXBMFYSA-N 2 1 318.465 2.076 10 0 DEAEMP C[C@@H]1CN(c2c(C(N)=S)c[nH+]c3ccccc32)CC[N@@H+]1C ZINC000110755779 194356428 /nfs/dbraw/zinc/35/64/28/194356428.db2.gz BKKGSFOYPIHVSG-LLVKDONJSA-N 2 1 300.431 2.009 10 0 DEAEMP C[C@@H]1CN(c2c(C(N)=S)c[nH+]c3ccccc32)CC[N@H+]1C ZINC000110755779 194356430 /nfs/dbraw/zinc/35/64/30/194356430.db2.gz BKKGSFOYPIHVSG-LLVKDONJSA-N 2 1 300.431 2.009 10 0 DEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)o2)CC[N@H+]1C ZINC000110711334 194353147 /nfs/dbraw/zinc/35/31/47/194353147.db2.gz YVKPGXJWXBMSKY-MNOVXSKESA-N 2 1 316.243 2.068 10 0 DEAEMP Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCCC[NH+](C)C)c1 ZINC000062066179 184203778 /nfs/dbraw/zinc/20/37/78/184203778.db2.gz CDYNYNSUXMRVCH-KRWDZBQOSA-N 2 1 303.450 2.027 10 0 DEAEMP CCO[C@H](C[NH3+])C[N@H+](C)Cc1ccc(Br)cc1 ZINC000062739657 184252040 /nfs/dbraw/zinc/25/20/40/184252040.db2.gz SKNDMEJYJDEEFS-CYBMUJFWSA-N 2 1 301.228 2.245 10 0 DEAEMP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000062739657 184252041 /nfs/dbraw/zinc/25/20/41/184252041.db2.gz SKNDMEJYJDEEFS-CYBMUJFWSA-N 2 1 301.228 2.245 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156441802 197113471 /nfs/dbraw/zinc/11/34/71/197113471.db2.gz PUFSYWGMSSNHPG-RHSMWYFYSA-N 2 1 301.434 2.057 10 0 DEAEMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115329 /nfs/dbraw/zinc/11/53/29/257115329.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115330 /nfs/dbraw/zinc/11/53/30/257115330.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115331 /nfs/dbraw/zinc/11/53/31/257115331.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115332 /nfs/dbraw/zinc/11/53/32/257115332.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 2 1 301.434 2.014 10 0 DEAEMP c1csc(C[N@@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCOCC4)[C@@H]3C2)n1 ZINC000263621720 257103978 /nfs/dbraw/zinc/10/39/78/257103978.db2.gz BWLJWQMGAKCHIV-PMPSAXMXSA-N 2 1 321.490 2.323 10 0 DEAEMP C(C[NH+]1CCCC1)O[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC1)C2 ZINC000253596840 257105305 /nfs/dbraw/zinc/10/53/05/257105305.db2.gz WJPOZQOSSXQBOD-ZWKOTPCHSA-N 2 1 308.466 2.275 10 0 DEAEMP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703253 133246695 /nfs/dbraw/zinc/24/66/95/133246695.db2.gz PSHRBWKSGOPLCS-MJGOQNOKSA-N 2 1 301.478 2.187 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000113604795 144635576 /nfs/dbraw/zinc/63/55/76/144635576.db2.gz HXDHRMLTGBGBAI-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000247320000 145133207 /nfs/dbraw/zinc/13/32/07/145133207.db2.gz LBMXIXOWOSJUAK-HYVNUMGLSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000247320000 145133209 /nfs/dbraw/zinc/13/32/09/145133209.db2.gz LBMXIXOWOSJUAK-HYVNUMGLSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1C ZINC000247320000 145133210 /nfs/dbraw/zinc/13/32/10/145133210.db2.gz LBMXIXOWOSJUAK-HYVNUMGLSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2F)CC[NH+]1C ZINC000247320000 145133212 /nfs/dbraw/zinc/13/32/12/145133212.db2.gz LBMXIXOWOSJUAK-HYVNUMGLSA-N 2 1 324.440 2.118 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000247461952 145137885 /nfs/dbraw/zinc/13/78/85/145137885.db2.gz ULSYNDXYHJTHQT-ZACQAIPSSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000247461952 145137887 /nfs/dbraw/zinc/13/78/87/145137887.db2.gz ULSYNDXYHJTHQT-ZACQAIPSSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000247461952 145137889 /nfs/dbraw/zinc/13/78/89/145137889.db2.gz ULSYNDXYHJTHQT-ZACQAIPSSA-N 2 1 324.513 2.135 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249105783 145179096 /nfs/dbraw/zinc/17/90/96/145179096.db2.gz QHQVUJSGEBSKFQ-MOPGFXCFSA-N 2 1 323.525 2.030 10 0 DEAEMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683088 145216232 /nfs/dbraw/zinc/21/62/32/145216232.db2.gz KBQNGWVPUXMMCI-CJNGLKHVSA-N 2 1 320.433 2.186 10 0 DEAEMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683088 145216233 /nfs/dbraw/zinc/21/62/33/145216233.db2.gz KBQNGWVPUXMMCI-CJNGLKHVSA-N 2 1 320.433 2.186 10 0 DEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1F ZINC000261966141 145247818 /nfs/dbraw/zinc/24/78/18/145247818.db2.gz QBNBAMBMIMWEBT-BMFZPTHFSA-N 2 1 310.388 2.254 10 0 DEAEMP COCc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1F ZINC000261972928 145248714 /nfs/dbraw/zinc/24/87/14/145248714.db2.gz QUKMLICDMMJDTF-CGTJXYLNSA-N 2 1 322.424 2.219 10 0 DEAEMP C[C@@]1(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085362 145260560 /nfs/dbraw/zinc/26/05/60/145260560.db2.gz UGRKNFZUWSIEQX-DOTOQJQBSA-N 2 1 320.412 2.021 10 0 DEAEMP C[C@@]1(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085362 145260563 /nfs/dbraw/zinc/26/05/63/145260563.db2.gz UGRKNFZUWSIEQX-DOTOQJQBSA-N 2 1 320.412 2.021 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000128333516 401772343 /nfs/dbraw/zinc/77/23/43/401772343.db2.gz YLIPSFHFKLZDPK-IKGGRYGDSA-N 2 1 324.513 2.233 10 0 DEAEMP CC(C)NC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110103 401783760 /nfs/dbraw/zinc/78/37/60/401783760.db2.gz FAOGQNGHGRYRBV-GOSISDBHSA-N 2 1 317.477 2.355 10 0 DEAEMP CC(C)NC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110103 401783762 /nfs/dbraw/zinc/78/37/62/401783762.db2.gz FAOGQNGHGRYRBV-GOSISDBHSA-N 2 1 317.477 2.355 10 0 DEAEMP CC(C)NC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110103 401783765 /nfs/dbraw/zinc/78/37/65/401783765.db2.gz FAOGQNGHGRYRBV-GOSISDBHSA-N 2 1 317.477 2.355 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)[C@H](C)C1 ZINC000119006041 401918379 /nfs/dbraw/zinc/91/83/79/401918379.db2.gz WLGNDVSXGXYKLZ-KFWWJZLASA-N 2 1 305.470 2.036 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000089633103 401954889 /nfs/dbraw/zinc/95/48/89/401954889.db2.gz RHTMOVXOFDGJAB-STQMWFEESA-N 2 1 321.446 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/nfs/dbraw/zinc/87/52/57/424875257.db2.gz WZGHCRLIUXECHW-MRXNPFEDSA-N 2 1 304.438 2.354 10 0 DEAEMP C[C@H](CNC(=O)C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000390778659 424917707 /nfs/dbraw/zinc/91/77/07/424917707.db2.gz PGJSPOGGDJQLAK-ODIFPOPNSA-N 2 1 303.450 2.141 10 0 DEAEMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000401720527 269112625 /nfs/dbraw/zinc/11/26/25/269112625.db2.gz ZVXBAYKWDIWJGH-CQSZACIVSA-N 2 1 322.453 2.342 10 0 DEAEMP CCCCN1C(=O)CC[C@@H]2C[N@H+](C3CC[NH+](C)CC3)CC[C@@H]21 ZINC000014966135 276234271 /nfs/dbraw/zinc/23/42/71/276234271.db2.gz ASMBCAOHGBHCHB-WBVHZDCISA-N 2 1 307.482 2.194 10 0 DEAEMP CCCCN1C(=O)CC[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)CC[C@@H]21 ZINC000014966135 276234273 /nfs/dbraw/zinc/23/42/73/276234273.db2.gz ASMBCAOHGBHCHB-WBVHZDCISA-N 2 1 307.482 2.194 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000245475263 279298061 /nfs/dbraw/zinc/29/80/61/279298061.db2.gz RTBYDEDWFBIQTL-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245475263 279298062 /nfs/dbraw/zinc/29/80/62/279298062.db2.gz RTBYDEDWFBIQTL-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245475263 279298063 /nfs/dbraw/zinc/29/80/63/279298063.db2.gz RTBYDEDWFBIQTL-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245462679 279326286 /nfs/dbraw/zinc/32/62/86/279326286.db2.gz GRCHONBKMLJNFW-CVEARBPZSA-N 2 1 312.502 2.088 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000111847457 519842555 /nfs/dbraw/zinc/84/25/55/519842555.db2.gz GAMXSGDPFQQLFQ-QGZVFWFLSA-N 2 1 324.513 2.282 10 0 DEAEMP CCC(CC)(C[NH3+])C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000261686426 534931454 /nfs/dbraw/zinc/93/14/54/534931454.db2.gz IDLJCJCGJITHCG-UHFFFAOYSA-N 2 1 318.465 2.240 10 0 DEAEMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360154602 535049969 /nfs/dbraw/zinc/04/99/69/535049969.db2.gz TXLREYPBNJGOKG-WMZOPIPTSA-N 2 1 317.477 2.403 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454640497 535447938 /nfs/dbraw/zinc/44/79/38/535447938.db2.gz DFMUIQQAFWMLOX-UHFFFAOYSA-N 2 1 324.513 2.282 10 0 DEAEMP CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261783621 535668982 /nfs/dbraw/zinc/66/89/82/535668982.db2.gz BOEMMJLWFXWMBU-UXLLHSPISA-N 2 1 303.450 2.408 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000247154974 536174042 /nfs/dbraw/zinc/17/40/42/536174042.db2.gz LXZJKEWXTPJHAU-HZPDHXFCSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000247154974 536174043 /nfs/dbraw/zinc/17/40/43/536174043.db2.gz LXZJKEWXTPJHAU-HZPDHXFCSA-N 2 1 318.465 2.483 10 0 DEAEMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261946285 536306849 /nfs/dbraw/zinc/30/68/49/536306849.db2.gz MGTMHZUQRAAOST-XYPWUTKMSA-N 2 1 305.397 2.369 10 0 DEAEMP CC1(C)C(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000177688703 625060036 /nfs/dbraw/zinc/06/00/36/625060036.db2.gz IPJXJWWZNGZFFF-UHFFFAOYSA-N 2 1 307.482 2.399 10 0 DEAEMP C[NH+](C)Cc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1 ZINC000067897793 648373211 /nfs/dbraw/zinc/37/32/11/648373211.db2.gz NNXKMYICZZMYAV-UHFFFAOYSA-N 2 1 307.438 2.218 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380924999 685398663 /nfs/dbraw/zinc/39/86/63/685398663.db2.gz BRDXILJRZSSCRR-OALUTQOASA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000380924999 685398671 /nfs/dbraw/zinc/39/86/71/685398671.db2.gz BRDXILJRZSSCRR-OALUTQOASA-N 2 1 319.493 2.242 10 0 DEAEMP COC(OC)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381757102 685402055 /nfs/dbraw/zinc/40/20/55/685402055.db2.gz GTONBNPIIOTJRC-ZOBUZTSGSA-N 2 1 306.450 2.494 10 0 DEAEMP CN1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000723583744 777128194 /nfs/dbraw/zinc/12/81/94/777128194.db2.gz WKTIBLHHQFHKIL-QGZVFWFLSA-N 2 1 315.461 2.109 10 0 DEAEMP CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000721856695 780392051 /nfs/dbraw/zinc/39/20/51/780392051.db2.gz WJVLSRCVCXWLQJ-UKRRQHHQSA-N 2 1 311.470 2.316 10 0 DEAEMP CCCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731557 793003982 /nfs/dbraw/zinc/00/39/82/793003982.db2.gz KYLZHTLPQMPQOF-BZSNNMDCSA-N 2 1 315.461 2.155 10 0 DEAEMP CCCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716731557 793003993 /nfs/dbraw/zinc/00/39/93/793003993.db2.gz KYLZHTLPQMPQOF-BZSNNMDCSA-N 2 1 315.461 2.155 10 0 DEAEMP C[NH+]1CCC([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000701932766 1086394563 /nfs/dbraw/zinc/39/45/63/1086394563.db2.gz YCQGXWROQSDRPR-UHFFFAOYSA-N 2 1 309.454 2.070 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968394 1086692505 /nfs/dbraw/zinc/69/25/05/1086692505.db2.gz SWRJQSGYDACMKW-IRXDYDNUSA-N 2 1 304.434 2.250 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000710968394 1086692508 /nfs/dbraw/zinc/69/25/08/1086692508.db2.gz SWRJQSGYDACMKW-IRXDYDNUSA-N 2 1 304.434 2.250 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000711344642 1087069614 /nfs/dbraw/zinc/06/96/14/1087069614.db2.gz JLASIKYYWMVSDW-OIISXLGYSA-N 2 1 315.461 2.011 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000711436430 1087102814 /nfs/dbraw/zinc/10/28/14/1087102814.db2.gz BJOCCAZEVAMBHH-TUVASFSCSA-N 2 1 311.470 2.362 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152424844 282144631 /nfs/dbraw/zinc/14/46/31/282144631.db2.gz DGBKUCGZXZQERV-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152424844 282144633 /nfs/dbraw/zinc/14/46/33/282144633.db2.gz DGBKUCGZXZQERV-DLBZAZTESA-N 2 1 324.513 2.090 10 0 DEAEMP [NH3+]Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088417764 185249207 /nfs/dbraw/zinc/24/92/07/185249207.db2.gz PIYDQUASZNARBM-KBPBESRZSA-N 2 1 302.340 2.453 10 0 DEAEMP [NH3+]C[C@@](O)(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439774 185250622 /nfs/dbraw/zinc/25/06/22/185250622.db2.gz OLOGXUCWZRKQHW-UONOGXRCSA-N 2 1 302.340 2.107 10 0 DEAEMP [NH3+]C[C@@](O)(C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000088439774 185250623 /nfs/dbraw/zinc/25/06/23/185250623.db2.gz OLOGXUCWZRKQHW-UONOGXRCSA-N 2 1 302.340 2.107 10 0 DEAEMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000192950943 539710602 /nfs/dbraw/zinc/71/06/02/539710602.db2.gz RGHGYTBQHSRBPK-AWEZNQCLSA-N 2 1 324.440 2.359 10 0 DEAEMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447550 283157219 /nfs/dbraw/zinc/15/72/19/283157219.db2.gz NXCVKRBBAVDROC-GOEBONIOSA-N 2 1 323.481 2.483 10 0 DEAEMP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000578247192 356787013 /nfs/dbraw/zinc/78/70/13/356787013.db2.gz NZMFJKBJLJHLAX-SFHVURJKSA-N 2 1 304.434 2.430 10 0 DEAEMP c1csc(N2CCC([NH2+]C[C@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC000275428545 212327326 /nfs/dbraw/zinc/32/73/26/212327326.db2.gz FBPCOBLHSUKEFP-CYBMUJFWSA-N 2 1 317.462 2.161 10 0 DEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000091313774 193039171 /nfs/dbraw/zinc/03/91/71/193039171.db2.gz YBACOHWWXUBWMU-CYBMUJFWSA-N 2 1 313.239 2.259 10 0 DEAEMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Br)cc1F ZINC000629567869 367254885 /nfs/dbraw/zinc/25/48/85/367254885.db2.gz PYCVBBOIIBWYDH-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000629567869 367254886 /nfs/dbraw/zinc/25/48/86/367254886.db2.gz PYCVBBOIIBWYDH-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)c(Br)c1 ZINC000629653661 367287591 /nfs/dbraw/zinc/28/75/91/367287591.db2.gz LWZGPHDFHSCLDP-UHFFFAOYSA-N 2 1 315.255 2.425 10 0 DEAEMP CC[N@H+](CC(=O)NCc1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093891628 193323829 /nfs/dbraw/zinc/32/38/29/193323829.db2.gz PYNLNIMAABRXQS-UHFFFAOYSA-N 2 1 311.857 2.263 10 0 DEAEMP CC[N@@H+](CC(=O)NCc1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093891628 193323830 /nfs/dbraw/zinc/32/38/30/193323830.db2.gz PYNLNIMAABRXQS-UHFFFAOYSA-N 2 1 311.857 2.263 10 0 DEAEMP CCC[N@H+](CC(=O)N(C)Cc1ccsc1)CC(C)(C)C[NH3+] ZINC000093892155 193324309 /nfs/dbraw/zinc/32/43/09/193324309.db2.gz SPDXVCCKGYPGOT-UHFFFAOYSA-N 2 1 311.495 2.403 10 0 DEAEMP CCC[N@@H+](CC(=O)N(C)Cc1ccsc1)CC(C)(C)C[NH3+] ZINC000093892155 193324311 /nfs/dbraw/zinc/32/43/11/193324311.db2.gz SPDXVCCKGYPGOT-UHFFFAOYSA-N 2 1 311.495 2.403 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC000105862430 194150371 /nfs/dbraw/zinc/15/03/71/194150371.db2.gz ZCBVAAOAJKKSNA-CYBMUJFWSA-N 2 1 312.404 2.489 10 0 DEAEMP CC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106386577 194205318 /nfs/dbraw/zinc/20/53/18/194205318.db2.gz BGWHMOJPYJAPDJ-OALUTQOASA-N 2 1 320.477 2.135 10 0 DEAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262405893 296312930 /nfs/dbraw/zinc/31/29/30/296312930.db2.gz RQYGIBSHTVORRV-MHORFTMASA-N 2 1 321.509 2.488 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157484057 197191241 /nfs/dbraw/zinc/19/12/41/197191241.db2.gz PWPAMXIMIAUTDZ-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCOCC)C(=O)OCC ZINC000157484057 197191242 /nfs/dbraw/zinc/19/12/42/197191242.db2.gz PWPAMXIMIAUTDZ-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC(C)C[NH2+]C[C@@]1(C[N@H+]2CCSC(C)(C)C2)CCOC1 ZINC000159132178 197330557 /nfs/dbraw/zinc/33/05/57/197330557.db2.gz KCDQHDWYRREMJG-MRXNPFEDSA-N 2 1 300.512 2.466 10 0 DEAEMP C[N@H+]1CC[C@@H](n2c(N)[nH+]c3cc(F)c(Br)cc32)C1 ZINC000158385768 197267413 /nfs/dbraw/zinc/26/74/13/197267413.db2.gz ORXYSKVZJVWMKX-SSDOTTSWSA-N 2 1 313.174 2.397 10 0 DEAEMP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000158036379 197237990 /nfs/dbraw/zinc/23/79/90/197237990.db2.gz OXXMIINQRIGXRM-QWHCGFSZSA-N 2 1 304.463 2.371 10 0 DEAEMP Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c(C(N)=S)c(C)[nH+]1 ZINC000156665682 197132537 /nfs/dbraw/zinc/13/25/37/197132537.db2.gz YLHYTMNKAMSCGG-ZDUSSCGKSA-N 2 1 306.479 2.475 10 0 DEAEMP c1csc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)n1 ZINC000156655792 197131446 /nfs/dbraw/zinc/13/14/46/197131446.db2.gz XFWBSWKXCBMVCK-UHFFFAOYSA-N 2 1 300.431 2.069 10 0 DEAEMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121908356 195372461 /nfs/dbraw/zinc/37/24/61/195372461.db2.gz BZMXXSQVGAMYCJ-MRXNPFEDSA-N 2 1 318.465 2.076 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121908356 195372463 /nfs/dbraw/zinc/37/24/63/195372463.db2.gz BZMXXSQVGAMYCJ-MRXNPFEDSA-N 2 1 318.465 2.076 10 0 DEAEMP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261874483 533367220 /nfs/dbraw/zinc/36/72/20/533367220.db2.gz DLQYXNDNVYVYCG-KURKYZTESA-N 2 1 310.482 2.473 10 0 DEAEMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000357407877 133076083 /nfs/dbraw/zinc/07/60/83/133076083.db2.gz FPKYMJNUWMDRDL-MAUKXSAKSA-N 2 1 315.461 2.495 10 0 DEAEMP COc1cc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC000193041836 145081782 /nfs/dbraw/zinc/08/17/82/145081782.db2.gz VSBXOSVCUSZEAI-VHRNVKJDSA-N 2 1 319.449 2.331 10 0 DEAEMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247318347 145133579 /nfs/dbraw/zinc/13/35/79/145133579.db2.gz SBLJJZQPXMPCOL-GJZGRUSLSA-N 2 1 318.465 2.122 10 0 DEAEMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247318347 145133581 /nfs/dbraw/zinc/13/35/81/145133581.db2.gz SBLJJZQPXMPCOL-GJZGRUSLSA-N 2 1 318.465 2.122 10 0 DEAEMP C[C@@H]1C[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000248997009 145175122 /nfs/dbraw/zinc/17/51/22/145175122.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 3 1 309.498 2.091 10 0 DEAEMP C[C@@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000248997009 145175123 /nfs/dbraw/zinc/17/51/23/145175123.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 3 1 309.498 2.091 10 0 DEAEMP C[C@@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000248997009 145175124 /nfs/dbraw/zinc/17/51/24/145175124.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 3 1 309.498 2.091 10 0 DEAEMP C[C@@H]1C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248997009 145175125 /nfs/dbraw/zinc/17/51/25/145175125.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 2 1 309.498 2.091 10 0 DEAEMP C[C@@H]1C[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248997009 145175126 /nfs/dbraw/zinc/17/51/26/145175126.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 2 1 309.498 2.091 10 0 DEAEMP C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261560406 145208140 /nfs/dbraw/zinc/20/81/40/145208140.db2.gz ZWTVZXGDPXHJSV-XOYOTBSWSA-N 2 1 315.461 2.141 10 0 DEAEMP CN(C(=O)CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261558161 145208152 /nfs/dbraw/zinc/20/81/52/145208152.db2.gz XXYPNSHWEMAJJE-SFHVURJKSA-N 2 1 315.461 2.109 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261857106 145234502 /nfs/dbraw/zinc/23/45/02/145234502.db2.gz BSVCZDKNFLCIIL-VVLHAWIVSA-N 2 1 324.852 2.120 10 0 DEAEMP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000261882156 145236862 /nfs/dbraw/zinc/23/68/62/145236862.db2.gz WNXKJOIUPWRZNS-STQMWFEESA-N 2 1 314.474 2.033 10 0 DEAEMP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC(C)(C)[NH3+] ZINC000261882156 145236864 /nfs/dbraw/zinc/23/68/64/145236864.db2.gz WNXKJOIUPWRZNS-STQMWFEESA-N 2 1 314.474 2.033 10 0 DEAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261964874 145247525 /nfs/dbraw/zinc/24/75/25/145247525.db2.gz YHVGVMMTOJZVFQ-SDNTUTLCSA-N 2 1 319.424 2.062 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261964874 145247527 /nfs/dbraw/zinc/24/75/27/145247527.db2.gz YHVGVMMTOJZVFQ-SDNTUTLCSA-N 2 1 319.424 2.062 10 0 DEAEMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261964478 145247933 /nfs/dbraw/zinc/24/79/33/145247933.db2.gz PYEPHYSXRXCDEE-KURKYZTESA-N 2 1 306.425 2.423 10 0 DEAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000262013185 145252947 /nfs/dbraw/zinc/25/29/47/145252947.db2.gz VSWIUBGRCJMOJT-KANFNMMFSA-N 2 1 315.461 2.012 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260583 /nfs/dbraw/zinc/26/05/83/145260583.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 2 1 302.466 2.006 10 0 DEAEMP CN1CC[C@@H](C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000262093899 145260587 /nfs/dbraw/zinc/26/05/87/145260587.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 2 1 302.466 2.006 10 0 DEAEMP CN1CC[C@@H](C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000262093899 145260589 /nfs/dbraw/zinc/26/05/89/145260589.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 2 1 302.466 2.006 10 0 DEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000263194738 145334927 /nfs/dbraw/zinc/33/49/27/145334927.db2.gz IHQNHGLAHWGLKI-WFASDCNBSA-N 2 1 306.406 2.224 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071871590 401689636 /nfs/dbraw/zinc/68/96/36/401689636.db2.gz AXQWTTLWHVYYPX-AWEZNQCLSA-N 2 1 323.481 2.497 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(C(C)(C)C)o2)CC1 ZINC000071871590 401689639 /nfs/dbraw/zinc/68/96/39/401689639.db2.gz AXQWTTLWHVYYPX-AWEZNQCLSA-N 2 1 323.481 2.497 10 0 DEAEMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516166 401896854 /nfs/dbraw/zinc/89/68/54/401896854.db2.gz FYBIGEHDQVHURU-ROUUACIJSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516166 401896855 /nfs/dbraw/zinc/89/68/55/401896855.db2.gz FYBIGEHDQVHURU-ROUUACIJSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516166 401896858 /nfs/dbraw/zinc/89/68/58/401896858.db2.gz FYBIGEHDQVHURU-ROUUACIJSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516166 401896860 /nfs/dbraw/zinc/89/68/60/401896860.db2.gz FYBIGEHDQVHURU-ROUUACIJSA-N 2 1 320.477 2.398 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119382722 401946569 /nfs/dbraw/zinc/94/65/69/401946569.db2.gz ZXZFFFJSMFTSGZ-FHERZECASA-N 2 1 312.502 2.136 10 0 DEAEMP COCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121102358 402015157 /nfs/dbraw/zinc/01/51/57/402015157.db2.gz WWGSGBHPYVJRFZ-MRXNPFEDSA-N 2 1 320.477 2.358 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107845038 402242113 /nfs/dbraw/zinc/24/21/13/402242113.db2.gz IRVXNKGVUTUXIO-IRXDYDNUSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000245482417 402464911 /nfs/dbraw/zinc/46/49/11/402464911.db2.gz ZHGWEIBGFARXDE-DLBZAZTESA-N 2 1 324.513 2.233 10 0 DEAEMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000246138622 402512885 /nfs/dbraw/zinc/51/28/85/402512885.db2.gz FYBIGEHDQVHURU-ZWKOTPCHSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000246138622 402512886 /nfs/dbraw/zinc/51/28/86/402512886.db2.gz FYBIGEHDQVHURU-ZWKOTPCHSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000246138622 402512887 /nfs/dbraw/zinc/51/28/87/402512887.db2.gz FYBIGEHDQVHURU-ZWKOTPCHSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000246138622 402512889 /nfs/dbraw/zinc/51/28/89/402512889.db2.gz FYBIGEHDQVHURU-ZWKOTPCHSA-N 2 1 320.477 2.398 10 0 DEAEMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178333102 402485611 /nfs/dbraw/zinc/48/56/11/402485611.db2.gz LBAKERFAEJAZOF-DLBZAZTESA-N 2 1 318.465 2.447 10 0 DEAEMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178333102 402485614 /nfs/dbraw/zinc/48/56/14/402485614.db2.gz LBAKERFAEJAZOF-DLBZAZTESA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791727 402488407 /nfs/dbraw/zinc/48/84/07/402488407.db2.gz WIPCLKWERIDCQP-DOTOQJQBSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791727 402488410 /nfs/dbraw/zinc/48/84/10/402488410.db2.gz WIPCLKWERIDCQP-DOTOQJQBSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791727 402488412 /nfs/dbraw/zinc/48/84/12/402488412.db2.gz WIPCLKWERIDCQP-DOTOQJQBSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791727 402488415 /nfs/dbraw/zinc/48/84/15/402488415.db2.gz WIPCLKWERIDCQP-DOTOQJQBSA-N 2 1 313.449 2.490 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000246570967 402536958 /nfs/dbraw/zinc/53/69/58/402536958.db2.gz YPDIDGVNCJBWIJ-VQHPVUNQSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560026 402595598 /nfs/dbraw/zinc/59/55/98/402595598.db2.gz JFKNBGKIDGOUHU-ZMSDIMECSA-N 2 1 312.498 2.405 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000249095625 402620626 /nfs/dbraw/zinc/62/06/26/402620626.db2.gz VKXFRMKGBBNPEH-MSOLQXFVSA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N(C)c1ccccc1 ZINC000262029015 402721282 /nfs/dbraw/zinc/72/12/82/402721282.db2.gz XHHXQVWMAKWGBZ-QXCFHYIPSA-N 2 1 317.477 2.258 10 0 DEAEMP C1CCC([NH+]2CCC(N[C@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000261841632 402717983 /nfs/dbraw/zinc/71/79/83/402717983.db2.gz ALSGZBGVWISSNO-FHWLQOOXSA-N 2 1 321.509 2.140 10 0 DEAEMP Cc1nc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000172792024 402675881 /nfs/dbraw/zinc/67/58/81/402675881.db2.gz KRAGRJQDOZAALR-GFCCVEGCSA-N 2 1 311.495 2.285 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C12CCC2 ZINC000261958374 402720210 /nfs/dbraw/zinc/72/02/10/402720210.db2.gz PFIWJUZMMVREIE-UHDSXZAQSA-N 2 1 308.466 2.081 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000194601918 402804891 /nfs/dbraw/zinc/80/48/91/402804891.db2.gz DMKVAYBVJBXACH-QGZVFWFLSA-N 2 1 301.434 2.059 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000194601918 402804894 /nfs/dbraw/zinc/80/48/94/402804894.db2.gz DMKVAYBVJBXACH-QGZVFWFLSA-N 2 1 301.434 2.059 10 0 DEAEMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452320 405063511 /nfs/dbraw/zinc/06/35/11/405063511.db2.gz RLDZUHXAJAAYJM-YTQUADARSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452320 405063515 /nfs/dbraw/zinc/06/35/15/405063515.db2.gz RLDZUHXAJAAYJM-YTQUADARSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452320 405063520 /nfs/dbraw/zinc/06/35/20/405063520.db2.gz RLDZUHXAJAAYJM-YTQUADARSA-N 3 1 301.478 2.486 10 0 DEAEMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000361699743 405203787 /nfs/dbraw/zinc/20/37/87/405203787.db2.gz RMAJVRWYWDJCLB-ZDUSSCGKSA-N 2 1 306.458 2.123 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000580151336 405593651 /nfs/dbraw/zinc/59/36/51/405593651.db2.gz RBJJWQFKRWRYQT-QGZVFWFLSA-N 2 1 324.513 2.377 10 0 DEAEMP C[C@@H]([NH3+])CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851386 405713433 /nfs/dbraw/zinc/71/34/33/405713433.db2.gz JLNGLXKSNNERJZ-WBVHZDCISA-N 2 1 303.450 2.285 10 0 DEAEMP C[NH2+]CCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850418 405713498 /nfs/dbraw/zinc/71/34/98/405713498.db2.gz GCBNOGFUBYBVFT-KRWDZBQOSA-N 2 1 303.450 2.157 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000634724425 406248716 /nfs/dbraw/zinc/24/87/16/406248716.db2.gz PWNLPJFHWBCGLF-VHDGCEQUSA-N 2 1 316.367 2.267 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000634724425 406248717 /nfs/dbraw/zinc/24/87/17/406248717.db2.gz PWNLPJFHWBCGLF-VHDGCEQUSA-N 2 1 316.367 2.267 10 0 DEAEMP CC(C)(C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637871984 406456212 /nfs/dbraw/zinc/45/62/12/406456212.db2.gz XFBPJOHYQWPPPX-UHFFFAOYSA-N 2 1 303.450 2.285 10 0 DEAEMP CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638081432 406559998 /nfs/dbraw/zinc/55/99/98/406559998.db2.gz YUNHSAUXRIBHSY-WBVHZDCISA-N 2 1 303.450 2.155 10 0 DEAEMP C[C@H]1C[C@H](NC(=O)CCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638103175 406571887 /nfs/dbraw/zinc/57/18/87/406571887.db2.gz LJHKHMCZCPTNHI-MAUKXSAKSA-N 2 1 315.461 2.155 10 0 DEAEMP Cc1nc([C@H](C)[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(C)s1 ZINC000130626175 196096913 /nfs/dbraw/zinc/09/69/13/196096913.db2.gz RHIOIVKZZPXYQH-NHYWBVRUSA-N 2 1 308.495 2.318 10 0 DEAEMP Cc1nc([C@H](C)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)c(C)s1 ZINC000130626175 196096916 /nfs/dbraw/zinc/09/69/16/196096916.db2.gz RHIOIVKZZPXYQH-NHYWBVRUSA-N 2 1 308.495 2.318 10 0 DEAEMP CO[C@@H]1CC[C@H]2OCC[N@H+](CCCCn3cc[nH+]c3C)[C@H]2C1 ZINC000132724321 196278044 /nfs/dbraw/zinc/27/80/44/196278044.db2.gz GMFCJUCUVAVCGH-IXDOHACOSA-N 2 1 307.438 2.240 10 0 DEAEMP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCn3cc[nH+]c3C)[C@H]2C1 ZINC000132724321 196278046 /nfs/dbraw/zinc/27/80/46/196278046.db2.gz GMFCJUCUVAVCGH-IXDOHACOSA-N 2 1 307.438 2.240 10 0 DEAEMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000195127638 424880610 /nfs/dbraw/zinc/88/06/10/424880610.db2.gz NRJCZQXYRKQZQP-IRXDYDNUSA-N 2 1 324.513 2.136 10 0 DEAEMP C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000382769462 424910694 /nfs/dbraw/zinc/91/06/94/424910694.db2.gz ZQBKDVDNDUBQQC-QFBILLFUSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972220 424916704 /nfs/dbraw/zinc/91/67/04/424916704.db2.gz CNKJLCPFIUTHKY-KUQKPQIMSA-N 2 1 315.461 2.141 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247962108 276362356 /nfs/dbraw/zinc/36/23/56/276362356.db2.gz CYDGGGTXMQTSBC-RCCFBDPRSA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000247962108 276362357 /nfs/dbraw/zinc/36/23/57/276362357.db2.gz CYDGGGTXMQTSBC-RCCFBDPRSA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000247962108 276362359 /nfs/dbraw/zinc/36/23/59/276362359.db2.gz CYDGGGTXMQTSBC-RCCFBDPRSA-N 2 1 315.461 2.422 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247962105 276362453 /nfs/dbraw/zinc/36/24/53/276362453.db2.gz CYDGGGTXMQTSBC-KURKYZTESA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247962105 276362455 /nfs/dbraw/zinc/36/24/55/276362455.db2.gz CYDGGGTXMQTSBC-KURKYZTESA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247962105 276362457 /nfs/dbraw/zinc/36/24/57/276362457.db2.gz CYDGGGTXMQTSBC-KURKYZTESA-N 2 1 315.461 2.422 10 0 DEAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000122038687 281767158 /nfs/dbraw/zinc/76/71/58/281767158.db2.gz WGUZHYYFTFVEBA-MRXNPFEDSA-N 2 1 323.485 2.199 10 0 DEAEMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000246492430 522080981 /nfs/dbraw/zinc/08/09/81/522080981.db2.gz PIEBMMUHPRDKGI-YWPYICTPSA-N 2 1 309.841 2.186 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246272254 525380981 /nfs/dbraw/zinc/38/09/81/525380981.db2.gz LVRIWKWSYMZJSY-XUWVNRHRSA-N 2 1 309.498 2.377 10 0 DEAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000361877454 535362824 /nfs/dbraw/zinc/36/28/24/535362824.db2.gz NQLWTLBBHBCACH-KRWDZBQOSA-N 2 1 307.482 2.338 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248184717 535996148 /nfs/dbraw/zinc/99/61/48/535996148.db2.gz XBRCQGINUHPSIV-QZTJIDSGSA-N 2 1 315.461 2.305 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000066242290 624084133 /nfs/dbraw/zinc/08/41/33/624084133.db2.gz SIELQTRDKIYNAL-IRXDYDNUSA-N 2 1 318.465 2.153 10 0 DEAEMP O=C1OCCN1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686699 639284988 /nfs/dbraw/zinc/28/49/88/639284988.db2.gz WMXUMIMRZAIUFJ-KRWDZBQOSA-N 2 1 323.481 2.417 10 0 DEAEMP O=C1OCCN1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686699 639284992 /nfs/dbraw/zinc/28/49/92/639284992.db2.gz WMXUMIMRZAIUFJ-KRWDZBQOSA-N 2 1 323.481 2.417 10 0 DEAEMP COC(OC)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381757100 685401781 /nfs/dbraw/zinc/40/17/81/685401781.db2.gz GTONBNPIIOTJRC-VYDXJSESSA-N 2 1 306.450 2.494 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724936915 787354778 /nfs/dbraw/zinc/35/47/78/787354778.db2.gz ONZVTFDFFPUULH-QRQLOZEOSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CCOC1 ZINC000724936915 787354788 /nfs/dbraw/zinc/35/47/88/787354788.db2.gz ONZVTFDFFPUULH-QRQLOZEOSA-N 2 1 318.461 2.292 10 0 DEAEMP OCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716635416 792982011 /nfs/dbraw/zinc/98/20/11/792982011.db2.gz FSNDGVKGFRZDLT-BZSNNMDCSA-N 2 1 300.446 2.402 10 0 DEAEMP C[C@]12CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000720829953 1086187048 /nfs/dbraw/zinc/18/70/48/1086187048.db2.gz HPHASAKSHSHWOX-RYRKJORJSA-N 2 1 323.431 2.423 10 0 DEAEMP C[C@]12CN(C[C@@H]3CCC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702087336 1086406614 /nfs/dbraw/zinc/40/66/14/1086406614.db2.gz ZYTGHXZYNIMSBY-AQNXPRMDSA-N 2 1 313.489 2.440 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1 ZINC000194674393 282146289 /nfs/dbraw/zinc/14/62/89/282146289.db2.gz NVEMBVNYHFVDTR-UHFFFAOYSA-N 2 1 301.434 2.059 10 0 DEAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000079192869 185161413 /nfs/dbraw/zinc/16/14/13/185161413.db2.gz JDYJITTWPUNIRP-LSDHHAIUSA-N 2 1 324.469 2.158 10 0 DEAEMP Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000328802261 231351807 /nfs/dbraw/zinc/35/18/07/231351807.db2.gz JPHYIXVYRWXSSW-UHFFFAOYSA-N 2 1 323.400 2.163 10 0 DEAEMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580726 282255100 /nfs/dbraw/zinc/25/51/00/282255100.db2.gz GERXJYDOUAHZCZ-INIZCTEOSA-N 2 1 303.450 2.280 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000178845629 539637635 /nfs/dbraw/zinc/63/76/35/539637635.db2.gz XQHJDJYERWITPG-VUCTXSBTSA-N 2 1 312.417 2.485 10 0 DEAEMP CC(C)CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080506114 192163900 /nfs/dbraw/zinc/16/39/00/192163900.db2.gz OWQMQISXTWBVSB-ALOPSCKCSA-N 2 1 324.513 2.231 10 0 DEAEMP COc1cc(C[NH2+]CCc2[nH]cc[nH+]2)c(SC)cc1OC ZINC000139171381 186020188 /nfs/dbraw/zinc/02/01/88/186020188.db2.gz IARMEUCQLXWDDR-UHFFFAOYSA-N 2 1 307.419 2.481 10 0 DEAEMP CCCNc1cc(NCC[N@H+](C)CCOC)nc(SC)[nH+]1 ZINC000149293897 186048924 /nfs/dbraw/zinc/04/89/24/186048924.db2.gz BHZZRVXKDXYHHY-UHFFFAOYSA-N 2 1 313.471 2.011 10 0 DEAEMP CCCNc1cc(NCC[N@@H+](C)CCOC)nc(SC)[nH+]1 ZINC000149293897 186048926 /nfs/dbraw/zinc/04/89/26/186048926.db2.gz BHZZRVXKDXYHHY-UHFFFAOYSA-N 2 1 313.471 2.011 10 0 DEAEMP Cn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273045043 539801512 /nfs/dbraw/zinc/80/15/12/539801512.db2.gz JGSDACYNEDOADO-YTQUADARSA-N 2 1 310.445 2.420 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)OC(C)C)C2)n1 ZINC000173779645 198250917 /nfs/dbraw/zinc/25/09/17/198250917.db2.gz RLGZJVUWLNMISK-HNNXBMFYSA-N 2 1 305.422 2.466 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)OC(C)C)C2)[nH+]1 ZINC000173779645 198250921 /nfs/dbraw/zinc/25/09/21/198250921.db2.gz RLGZJVUWLNMISK-HNNXBMFYSA-N 2 1 305.422 2.466 10 0 DEAEMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243175 354705351 /nfs/dbraw/zinc/70/53/51/354705351.db2.gz UHSCBGWAWXQSIK-HNNXBMFYSA-N 2 1 300.450 2.357 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382730907 540123438 /nfs/dbraw/zinc/12/34/38/540123438.db2.gz BANYIKHONHKCKN-SJLPKXTDSA-N 2 1 317.477 2.483 10 0 DEAEMP C[N@H+]1CCN(CC[C@@H]2CSCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000091291956 193033456 /nfs/dbraw/zinc/03/34/56/193033456.db2.gz UHRDYQIHIQEJPE-SJORKVTESA-N 2 1 305.491 2.070 10 0 DEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000091313772 193038507 /nfs/dbraw/zinc/03/85/07/193038507.db2.gz PTILRAKHZCMFIW-AWEZNQCLSA-N 2 1 313.239 2.259 10 0 DEAEMP C[C@]1(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033356 291380854 /nfs/dbraw/zinc/38/08/54/291380854.db2.gz OGGWFLLRUZPKRC-QAPCUYQASA-N 2 1 302.466 2.398 10 0 DEAEMP c1cc(OCCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc2c1OCO2 ZINC000631886506 368441450 /nfs/dbraw/zinc/44/14/50/368441450.db2.gz IGUBFAAKIQMPJT-GDBMZVCRSA-N 2 1 318.417 2.258 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](CC)CCOCC ZINC000093597920 193272459 /nfs/dbraw/zinc/27/24/59/193272459.db2.gz KKMINXWJJBEIHO-IRXDYDNUSA-N 2 1 300.487 2.266 10 0 DEAEMP COCC[N@@H+](CC(C)C)[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093782964 193307200 /nfs/dbraw/zinc/30/72/00/193307200.db2.gz ZGTKSLRPDRUWEZ-DLBZAZTESA-N 2 1 300.487 2.263 10 0 DEAEMP CCc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1C[NH2+]C1CC1 ZINC000110760437 194357365 /nfs/dbraw/zinc/35/73/65/194357365.db2.gz KNBUKGDLVGFMHA-UHFFFAOYSA-N 2 1 308.495 2.488 10 0 DEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCCOC)C(=O)OC ZINC000062034981 184202881 /nfs/dbraw/zinc/20/28/81/184202881.db2.gz IYOTXWSXZRHXAW-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCCOC)C(=O)OC ZINC000062034981 184202883 /nfs/dbraw/zinc/20/28/83/184202883.db2.gz IYOTXWSXZRHXAW-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP NC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000159220347 197336861 /nfs/dbraw/zinc/33/68/61/197336861.db2.gz MAIGOOKGQMITFI-QGZVFWFLSA-N 2 1 322.497 2.164 10 0 DEAEMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188679982 145015545 /nfs/dbraw/zinc/01/55/45/145015545.db2.gz IXPJAUSDFTUDMS-UHFFFAOYSA-N 2 1 312.417 2.316 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246815454 145114914 /nfs/dbraw/zinc/11/49/14/145114914.db2.gz DJBJBOFTWIZPHI-BBWFWOEESA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246815454 145114916 /nfs/dbraw/zinc/11/49/16/145114916.db2.gz DJBJBOFTWIZPHI-BBWFWOEESA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246815454 145114918 /nfs/dbraw/zinc/11/49/18/145114918.db2.gz DJBJBOFTWIZPHI-BBWFWOEESA-N 2 1 324.513 2.279 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000247342980 145134060 /nfs/dbraw/zinc/13/40/60/145134060.db2.gz JHGJCWURZSQCDH-PVAVHDDUSA-N 2 1 303.450 2.230 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000247342980 145134063 /nfs/dbraw/zinc/13/40/63/145134063.db2.gz JHGJCWURZSQCDH-PVAVHDDUSA-N 2 1 303.450 2.230 10 0 DEAEMP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261549153 145206950 /nfs/dbraw/zinc/20/69/50/145206950.db2.gz OGTAHBCRDAIHPY-FGTMMUONSA-N 2 1 315.461 2.237 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549649 145207307 /nfs/dbraw/zinc/20/73/07/145207307.db2.gz OWWSGCVNTPQTPM-FYQPLNBISA-N 3 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549649 145207308 /nfs/dbraw/zinc/20/73/08/145207308.db2.gz OWWSGCVNTPQTPM-FYQPLNBISA-N 2 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000261549649 145207309 /nfs/dbraw/zinc/20/73/09/145207309.db2.gz OWWSGCVNTPQTPM-FYQPLNBISA-N 2 1 313.489 2.486 10 0 DEAEMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261811698 145229059 /nfs/dbraw/zinc/22/90/59/145229059.db2.gz HLESAYHWEBYPFY-IAGOWNOFSA-N 2 1 315.461 2.237 10 0 DEAEMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261810811 145229208 /nfs/dbraw/zinc/22/92/08/145229208.db2.gz GNAXVJGASYSPDT-UONOGXRCSA-N 2 1 313.405 2.422 10 0 DEAEMP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261920657 145241481 /nfs/dbraw/zinc/24/14/81/145241481.db2.gz KGEUCMOCEBBGES-KURKYZTESA-N 2 1 304.434 2.121 10 0 DEAEMP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261952245 145246593 /nfs/dbraw/zinc/24/65/93/145246593.db2.gz OMQZXLNQPGOWPT-GVDBMIGSSA-N 2 1 304.434 2.121 10 0 DEAEMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146666 145266344 /nfs/dbraw/zinc/26/63/44/145266344.db2.gz ZPBUTRLPPVOUSN-CRAIPNDOSA-N 2 1 316.449 2.040 10 0 DEAEMP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262302712 145275222 /nfs/dbraw/zinc/27/52/22/145275222.db2.gz OUHPVESLCCDOHI-NCOADZHNSA-N 2 1 307.482 2.097 10 0 DEAEMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000305877606 145348654 /nfs/dbraw/zinc/34/86/54/145348654.db2.gz SBKSOJPCISNBDD-RCCFBDPRSA-N 2 1 300.446 2.402 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654654 145396798 /nfs/dbraw/zinc/39/67/98/145396798.db2.gz DUICVCHSRKFSOT-QRQLOZEOSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336654654 145396800 /nfs/dbraw/zinc/39/68/00/145396800.db2.gz DUICVCHSRKFSOT-QRQLOZEOSA-N 2 1 319.493 2.241 10 0 DEAEMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513796 401781632 /nfs/dbraw/zinc/78/16/32/401781632.db2.gz LAJPAXHLENBZJJ-IAGOWNOFSA-N 2 1 320.477 2.433 10 0 DEAEMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513796 401781635 /nfs/dbraw/zinc/78/16/35/401781635.db2.gz LAJPAXHLENBZJJ-IAGOWNOFSA-N 2 1 320.477 2.433 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000119097694 401925693 /nfs/dbraw/zinc/92/56/93/401925693.db2.gz JLHPBPRCYZJLEY-OTBWCIGPSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000137111461 401979129 /nfs/dbraw/zinc/97/91/29/401979129.db2.gz LBCIXODEBOHKAJ-IRXDYDNUSA-N 2 1 305.466 2.382 10 0 DEAEMP CCC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635706 401948882 /nfs/dbraw/zinc/94/88/82/401948882.db2.gz RQFIIIDGELAAAR-DZGCQCFKSA-N 2 1 323.506 2.341 10 0 DEAEMP CCC[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635706 401948885 /nfs/dbraw/zinc/94/88/85/401948885.db2.gz RQFIIIDGELAAAR-DZGCQCFKSA-N 2 1 323.506 2.341 10 0 DEAEMP C[NH+](C)CC1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000119417986 401948889 /nfs/dbraw/zinc/94/88/89/401948889.db2.gz RFCIKYUOMUNSTK-UHFFFAOYSA-N 2 1 324.513 2.280 10 0 DEAEMP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)C1CC1 ZINC000107846991 402242156 /nfs/dbraw/zinc/24/21/56/402242156.db2.gz XEONCICDCHSYCI-WBVHZDCISA-N 2 1 322.497 2.129 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247284908 402562608 /nfs/dbraw/zinc/56/26/08/402562608.db2.gz KMWDQEHRGAQEDT-IKGGRYGDSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000247284908 402562611 /nfs/dbraw/zinc/56/26/11/402562611.db2.gz KMWDQEHRGAQEDT-IKGGRYGDSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000247284908 402562613 /nfs/dbraw/zinc/56/26/13/402562613.db2.gz KMWDQEHRGAQEDT-IKGGRYGDSA-N 2 1 324.513 2.088 10 0 DEAEMP C[C@H]1C[C@@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000179743418 402599554 /nfs/dbraw/zinc/59/95/54/402599554.db2.gz ULZVKVHXZCHWBT-GJZGRUSLSA-N 2 1 318.465 2.449 10 0 DEAEMP CCn1nccc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478341 402604157 /nfs/dbraw/zinc/60/41/57/402604157.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 1 313.449 2.252 10 0 DEAEMP CCn1nccc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190478341 402604158 /nfs/dbraw/zinc/60/41/58/402604158.db2.gz OJMDAGVYNWRFAC-KRWDZBQOSA-N 2 1 313.449 2.252 10 0 DEAEMP CCC[C@@H](C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180073991 402606269 /nfs/dbraw/zinc/60/62/69/402606269.db2.gz OBALSESBAIBHOO-MRXNPFEDSA-N 2 1 309.498 2.299 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000181473500 402646552 /nfs/dbraw/zinc/64/65/52/402646552.db2.gz SMJDCUYUQPQCCF-ZMSDIMECSA-N 2 1 309.498 2.486 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262506635 402726619 /nfs/dbraw/zinc/72/66/19/402726619.db2.gz AFFXPNUJFXILTI-KKUMJFAQSA-N 2 1 309.841 2.329 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262506635 402726624 /nfs/dbraw/zinc/72/66/24/402726624.db2.gz AFFXPNUJFXILTI-KKUMJFAQSA-N 2 1 309.841 2.329 10 0 DEAEMP CN1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3)C2)CC1 ZINC000174891967 402761379 /nfs/dbraw/zinc/76/13/79/402761379.db2.gz BBBKZSGSTLMRRO-GOSISDBHSA-N 2 1 317.477 2.167 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3)C2)CC1 ZINC000174891967 402761383 /nfs/dbraw/zinc/76/13/83/402761383.db2.gz BBBKZSGSTLMRRO-GOSISDBHSA-N 2 1 317.477 2.167 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3)C2)CC1 ZINC000174891967 402761385 /nfs/dbraw/zinc/76/13/85/402761385.db2.gz BBBKZSGSTLMRRO-GOSISDBHSA-N 2 1 317.477 2.167 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000194137029 402785560 /nfs/dbraw/zinc/78/55/60/402785560.db2.gz LAWVYGARWPNGLL-KBPBESRZSA-N 2 1 324.494 2.134 10 0 DEAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309768068 403963188 /nfs/dbraw/zinc/96/31/88/403963188.db2.gz ZYBXZFIHHHIHIJ-ZWKOTPCHSA-N 2 1 315.461 2.014 10 0 DEAEMP c1ncn2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000297508387 404565375 /nfs/dbraw/zinc/56/53/75/404565375.db2.gz MBHSGNUKWOMCHL-UHFFFAOYSA-N 2 1 307.401 2.488 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414857269 404750051 /nfs/dbraw/zinc/75/00/51/404750051.db2.gz CHYDDTBYXMVUER-KSZLIROESA-N 2 1 302.466 2.072 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382719123 405031862 /nfs/dbraw/zinc/03/18/62/405031862.db2.gz JZYFDELTGKZCRU-VQIMIIECSA-N 2 1 315.461 2.252 10 0 DEAEMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361487897 405096020 /nfs/dbraw/zinc/09/60/20/405096020.db2.gz WRBQLEHPHMZJDR-QRQLOZEOSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396358772 405057132 /nfs/dbraw/zinc/05/71/32/405057132.db2.gz IDOATYQVOPAMJR-DOTOQJQBSA-N 2 1 303.450 2.093 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396358772 405057136 /nfs/dbraw/zinc/05/71/36/405057136.db2.gz IDOATYQVOPAMJR-DOTOQJQBSA-N 2 1 303.450 2.093 10 0 DEAEMP CC[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637869553 406455727 /nfs/dbraw/zinc/45/57/27/406455727.db2.gz XJFLPZXUVNPARP-HNNXBMFYSA-N 2 1 303.450 2.285 10 0 DEAEMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638305219 406686793 /nfs/dbraw/zinc/68/67/93/406686793.db2.gz RXDBIYPFCIIKPL-GOSISDBHSA-N 2 1 304.434 2.178 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000129030971 196013447 /nfs/dbraw/zinc/01/34/47/196013447.db2.gz MMQVOXOCYXAJFU-WBVHZDCISA-N 2 1 324.513 2.090 10 0 DEAEMP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000130524900 196087310 /nfs/dbraw/zinc/08/73/10/196087310.db2.gz ZRJGRQLISHNGSD-HNNXBMFYSA-N 2 1 307.463 2.225 10 0 DEAEMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262033322 287302847 /nfs/dbraw/zinc/30/28/47/287302847.db2.gz XTRJHJUDELURTL-DZVNLGKHSA-N 2 1 310.482 2.328 10 0 DEAEMP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390777113 424917355 /nfs/dbraw/zinc/91/73/55/424917355.db2.gz OBPKHNKXGSURSA-NVXWUHKLSA-N 2 1 303.450 2.142 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398039248 424922089 /nfs/dbraw/zinc/92/20/89/424922089.db2.gz KIKGCULHPNHHDW-JQHSSLGASA-N 2 1 317.477 2.387 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309593273 424893194 /nfs/dbraw/zinc/89/31/94/424893194.db2.gz PJGAUINUXJEDEE-IRXDYDNUSA-N 2 1 303.450 2.141 10 0 DEAEMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccccc1Br ZINC000311090520 424894998 /nfs/dbraw/zinc/89/49/98/424894998.db2.gz ICKJDSBQXRLEGG-VXGBXAGGSA-N 2 1 315.255 2.412 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000653201994 425433172 /nfs/dbraw/zinc/43/31/72/425433172.db2.gz CYBVNEGOVQDBJR-KONPQCLYSA-N 2 1 315.461 2.106 10 0 DEAEMP C[N@@H+]1CC=C(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392196003 269099300 /nfs/dbraw/zinc/09/93/00/269099300.db2.gz COLIETVGWJILJX-INIZCTEOSA-N 2 1 323.481 2.485 10 0 DEAEMP CC1CC[NH+]([C@@H](CNC2=[NH+]CCCN2)c2cccs2)CC1 ZINC000261738380 275941698 /nfs/dbraw/zinc/94/16/98/275941698.db2.gz IAWRHMMPLSPNRL-AWEZNQCLSA-N 2 1 306.479 2.460 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261559657 276141779 /nfs/dbraw/zinc/14/17/79/276141779.db2.gz ZEJCLZSUTIPIEJ-RCCFBDPRSA-N 2 1 315.461 2.094 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C12CCC2 ZINC000261958369 276481122 /nfs/dbraw/zinc/48/11/22/276481122.db2.gz PFIWJUZMMVREIE-JZAWBGDQSA-N 2 1 308.466 2.081 10 0 DEAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000106457453 276828579 /nfs/dbraw/zinc/82/85/79/276828579.db2.gz ABTFARALYHYFGW-SFHVURJKSA-N 2 1 317.477 2.152 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246486390 278257627 /nfs/dbraw/zinc/25/76/27/278257627.db2.gz OYWZQCFURGNVJC-JJTUDDRGSA-N 2 1 307.482 2.144 10 0 DEAEMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261722318 278381809 /nfs/dbraw/zinc/38/18/09/278381809.db2.gz LQLGKCKRCANCGX-RYUDHWBXSA-N 2 1 305.397 2.283 10 0 DEAEMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000170794134 297018411 /nfs/dbraw/zinc/01/84/11/297018411.db2.gz BWJHEYZRPOCLNR-KURKYZTESA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000170794134 297018412 /nfs/dbraw/zinc/01/84/12/297018412.db2.gz BWJHEYZRPOCLNR-KURKYZTESA-N 2 1 309.498 2.046 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105241782 521645485 /nfs/dbraw/zinc/64/54/85/521645485.db2.gz AXGGAXMOIRAHFU-KRWDZBQOSA-N 2 1 324.513 2.378 10 0 DEAEMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000248851627 523966099 /nfs/dbraw/zinc/96/60/99/523966099.db2.gz BIGVVKWXBXGFOX-QZTJIDSGSA-N 2 1 309.413 2.321 10 0 DEAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000247233959 535597563 /nfs/dbraw/zinc/59/75/63/535597563.db2.gz DHKNAZDJCQFQSD-RTBURBONSA-N 2 1 320.477 2.228 10 0 DEAEMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262128012 536896669 /nfs/dbraw/zinc/89/66/69/536896669.db2.gz NJVCSYZXNMHJIY-QZTJIDSGSA-N 2 1 312.413 2.032 10 0 DEAEMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccccc1 ZINC000066242293 625057218 /nfs/dbraw/zinc/05/72/18/625057218.db2.gz SIELQTRDKIYNAL-IAGOWNOFSA-N 2 1 318.465 2.153 10 0 DEAEMP C[NH+]1CCN(C(=O)CC[NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000801531845 645410187 /nfs/dbraw/zinc/41/01/87/645410187.db2.gz VPJOGNWPOALOKW-UHFFFAOYSA-N 2 1 321.509 2.489 10 0 DEAEMP C/C=C(/C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000229663711 646697542 /nfs/dbraw/zinc/69/75/42/646697542.db2.gz VDOZPJABXLKLOR-ZLCWXWNNSA-N 2 1 319.493 2.408 10 0 DEAEMP C/C=C(/C)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000229663711 646697545 /nfs/dbraw/zinc/69/75/45/646697545.db2.gz VDOZPJABXLKLOR-ZLCWXWNNSA-N 2 1 319.493 2.408 10 0 DEAEMP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc[nH]c3)C2)ccn1 ZINC000886059628 691994916 /nfs/dbraw/zinc/99/49/16/691994916.db2.gz ICLSHBWSJSRDAZ-KRWDZBQOSA-N 2 1 300.406 2.125 10 0 DEAEMP CC(=O)NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716693662 793001719 /nfs/dbraw/zinc/00/17/19/793001719.db2.gz PUIUEIJNXABYOE-FHWLQOOXSA-N 2 1 315.461 2.155 10 0 DEAEMP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714776 793003155 /nfs/dbraw/zinc/00/31/55/793003155.db2.gz WFZWQQCKJNUPMB-XLAORIBOSA-N 2 1 315.461 2.154 10 0 DEAEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000702077513 1086403926 /nfs/dbraw/zinc/40/39/26/1086403926.db2.gz QDAWGBRGQHQVMJ-UXHICEINSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]12C[NH+](CC3CC[NH2+]CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702077513 1086403928 /nfs/dbraw/zinc/40/39/28/1086403928.db2.gz QDAWGBRGQHQVMJ-UXHICEINSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]12C[NH+](CC3CC[NH2+]CC3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702077513 1086403933 /nfs/dbraw/zinc/40/39/33/1086403933.db2.gz QDAWGBRGQHQVMJ-UXHICEINSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC000702077513 1086403935 /nfs/dbraw/zinc/40/39/35/1086403935.db2.gz QDAWGBRGQHQVMJ-UXHICEINSA-N 2 1 313.489 2.440 10 0 DEAEMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000702077513 1086403938 /nfs/dbraw/zinc/40/39/38/1086403938.db2.gz QDAWGBRGQHQVMJ-UXHICEINSA-N 2 1 313.489 2.440 10 0 DEAEMP C[N@H+](Cc1ccc(N)c(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000078898899 185125205 /nfs/dbraw/zinc/12/52/05/185125205.db2.gz DYEXNYLHZUEOHU-LBPRGKRZSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(N)c(Br)c1)C[C@H]1CC[N@H+](C)C1 ZINC000078898899 185125206 /nfs/dbraw/zinc/12/52/06/185125206.db2.gz DYEXNYLHZUEOHU-LBPRGKRZSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(N)c(Br)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000078898899 185125208 /nfs/dbraw/zinc/12/52/08/185125208.db2.gz DYEXNYLHZUEOHU-LBPRGKRZSA-N 2 1 312.255 2.415 10 0 DEAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000090327567 185291275 /nfs/dbraw/zinc/29/12/75/185291275.db2.gz QRKSMENGVKTMPM-LALPHHSUSA-N 2 1 307.825 2.208 10 0 DEAEMP C[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438771 185296685 /nfs/dbraw/zinc/29/66/85/185296685.db2.gz DIENTRPRFSQUPT-TZMCWYRMSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438771 185296686 /nfs/dbraw/zinc/29/66/86/185296686.db2.gz DIENTRPRFSQUPT-TZMCWYRMSA-N 2 1 313.239 2.115 10 0 DEAEMP CC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149690040 186052777 /nfs/dbraw/zinc/05/27/77/186052777.db2.gz IHSIRDAWDRHFBN-HUUCEWRRSA-N 2 1 309.523 2.467 10 0 DEAEMP [NH3+]C1(C[NH2+]Cc2cc(Br)cs2)CCOCC1 ZINC000149812121 186053174 /nfs/dbraw/zinc/05/31/74/186053174.db2.gz KDBLHBGGBZFVDB-UHFFFAOYSA-N 2 1 305.241 2.108 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152428186 186071532 /nfs/dbraw/zinc/07/15/32/186071532.db2.gz AUZLDRLMEDLJKA-CJNGLKHVSA-N 2 1 312.417 2.452 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333551949 539963267 /nfs/dbraw/zinc/96/32/67/539963267.db2.gz KIEYWMRMYUZQIE-NCOADZHNSA-N 2 1 316.449 2.001 10 0 DEAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243149 354705730 /nfs/dbraw/zinc/70/57/30/354705730.db2.gz YISBPUYZCQHKDF-OAHLLOKOSA-N 2 1 300.450 2.357 10 0 DEAEMP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3CO)CC2)cc1C ZINC000169789478 355983519 /nfs/dbraw/zinc/98/35/19/355983519.db2.gz MSBJWKOCPSXQCK-SFHVURJKSA-N 2 1 302.462 2.440 10 0 DEAEMP CC[NH+]1CCC([N@H+](C)C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797499 192191796 /nfs/dbraw/zinc/19/17/96/192191796.db2.gz ZKLCKJVPXRILMH-INIZCTEOSA-N 2 1 305.491 2.472 10 0 DEAEMP CC[NH+]1CCC([N@@H+](C)C[C@H](C(N)=S)c2ccccc2)CC1 ZINC000080797499 192191799 /nfs/dbraw/zinc/19/17/99/192191799.db2.gz ZKLCKJVPXRILMH-INIZCTEOSA-N 2 1 305.491 2.472 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262666658 356343724 /nfs/dbraw/zinc/34/37/24/356343724.db2.gz KHDMYCQSUSUALX-NCOADZHNSA-N 2 1 307.482 2.288 10 0 DEAEMP OCC[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000399218457 356721095 /nfs/dbraw/zinc/72/10/95/356721095.db2.gz JROMTNUEJXZGJW-UHFFFAOYSA-N 2 1 319.268 2.057 10 0 DEAEMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457674 357726393 /nfs/dbraw/zinc/72/63/93/357726393.db2.gz FRGYBTYSZYZVTI-IAGOWNOFSA-N 2 1 307.482 2.053 10 0 DEAEMP C[C@@H]([NH3+])CCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000193311628 201027113 /nfs/dbraw/zinc/02/71/13/201027113.db2.gz FDRXUKLGBIKLGB-OAHLLOKOSA-N 2 1 303.450 2.237 10 0 DEAEMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000275360417 212291050 /nfs/dbraw/zinc/29/10/50/212291050.db2.gz AZAPTGMYLLMFGF-INIZCTEOSA-N 2 1 311.433 2.231 10 0 DEAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631692 193082969 /nfs/dbraw/zinc/08/29/69/193082969.db2.gz MOSNPQKBXYFNMM-GJZGRUSLSA-N 2 1 303.454 2.277 10 0 DEAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631692 193082971 /nfs/dbraw/zinc/08/29/71/193082971.db2.gz MOSNPQKBXYFNMM-GJZGRUSLSA-N 2 1 303.454 2.277 10 0 DEAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631692 193082973 /nfs/dbraw/zinc/08/29/73/193082973.db2.gz MOSNPQKBXYFNMM-GJZGRUSLSA-N 2 1 303.454 2.277 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888145 368444977 /nfs/dbraw/zinc/44/49/77/368444977.db2.gz UGTIAMDKDQLFJP-WMZOPIPTSA-N 2 1 304.434 2.156 10 0 DEAEMP CC[NH2+][C@@H]1[C@H](C[N@@H+](CCOC)[C@@H](C)COC)CCC1(C)C ZINC000094317865 193359403 /nfs/dbraw/zinc/35/94/03/193359403.db2.gz CBYNDBZITDWERW-HRCADAONSA-N 2 1 300.487 2.384 10 0 DEAEMP CS(=O)(=O)[C@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634619 193386334 /nfs/dbraw/zinc/38/63/34/193386334.db2.gz WPUZWSJQDOBVKI-CVEARBPZSA-N 2 1 316.511 2.326 10 0 DEAEMP CCC[N@H+](CC(C)(C)C[NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638882 193387756 /nfs/dbraw/zinc/38/77/56/193387756.db2.gz UQXANVGGYBPPOF-KBPBESRZSA-N 2 1 304.500 2.039 10 0 DEAEMP CCC[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638882 193387757 /nfs/dbraw/zinc/38/77/57/193387757.db2.gz UQXANVGGYBPPOF-KBPBESRZSA-N 2 1 304.500 2.039 10 0 DEAEMP CCC[NH2+][C@@H]1[C@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428442 193368562 /nfs/dbraw/zinc/36/85/62/193368562.db2.gz KDRUVYKKDIOFLY-LSDHHAIUSA-N 2 1 300.487 2.263 10 0 DEAEMP COc1ccc([C@H](C[NH3+])N2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000094458693 193371253 /nfs/dbraw/zinc/37/12/53/193371253.db2.gz OXKCEHLJDDIRNH-HIFRSBDPSA-N 2 1 309.841 2.128 10 0 DEAEMP CC[C@H](N)[C@@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248752 183347094 /nfs/dbraw/zinc/34/70/94/183347094.db2.gz MGTYBGLRYSDMCE-ZFWWWQNUSA-N 2 1 309.479 2.422 10 0 DEAEMP NC(=S)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000109442963 194263385 /nfs/dbraw/zinc/26/33/85/194263385.db2.gz VZPMRCMSTVRKCJ-UHFFFAOYSA-N 2 1 320.849 2.296 10 0 DEAEMP Cc1cc(C)c(C(N)=S)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000158026601 197237380 /nfs/dbraw/zinc/23/73/80/197237380.db2.gz DJZXAKOHABVGJJ-CHWSQXEVSA-N 2 1 304.463 2.371 10 0 DEAEMP Cc1cc(C)c(C(N)=S)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000158026601 197237382 /nfs/dbraw/zinc/23/73/82/197237382.db2.gz DJZXAKOHABVGJJ-CHWSQXEVSA-N 2 1 304.463 2.371 10 0 DEAEMP CNc1cc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)nc(SC)n1 ZINC000157388933 197183658 /nfs/dbraw/zinc/18/36/58/197183658.db2.gz CJVSQWSBLYJLCD-NWDGAFQWSA-N 2 1 307.467 2.303 10 0 DEAEMP Cn1c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2sc1=O ZINC000192457913 145073960 /nfs/dbraw/zinc/07/39/60/145073960.db2.gz PWDBKLXHSKCNOZ-UHFFFAOYSA-N 2 1 317.458 2.316 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000245443000 145092422 /nfs/dbraw/zinc/09/24/22/145092422.db2.gz WTOVGOSHWZTDNP-KYJSFNMBSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000245443000 145092423 /nfs/dbraw/zinc/09/24/23/145092423.db2.gz WTOVGOSHWZTDNP-KYJSFNMBSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000245443000 145092424 /nfs/dbraw/zinc/09/24/24/145092424.db2.gz WTOVGOSHWZTDNP-KYJSFNMBSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000247256010 145130426 /nfs/dbraw/zinc/13/04/26/145130426.db2.gz UWOWUIGMUBLCNG-BQFCYCMXSA-N 2 1 306.450 2.088 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000247256010 145130428 /nfs/dbraw/zinc/13/04/28/145130428.db2.gz UWOWUIGMUBLCNG-BQFCYCMXSA-N 2 1 306.450 2.088 10 0 DEAEMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309953 145132721 /nfs/dbraw/zinc/13/27/21/145132721.db2.gz VIGKEHFGKBLSLX-JKSUJKDBSA-N 2 1 302.418 2.374 10 0 DEAEMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309953 145132722 /nfs/dbraw/zinc/13/27/22/145132722.db2.gz VIGKEHFGKBLSLX-JKSUJKDBSA-N 2 1 302.418 2.374 10 0 DEAEMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309953 145132724 /nfs/dbraw/zinc/13/27/24/145132724.db2.gz VIGKEHFGKBLSLX-JKSUJKDBSA-N 2 1 302.418 2.374 10 0 DEAEMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309953 145132726 /nfs/dbraw/zinc/13/27/26/145132726.db2.gz VIGKEHFGKBLSLX-JKSUJKDBSA-N 2 1 302.418 2.374 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000247461946 145137611 /nfs/dbraw/zinc/13/76/11/145137611.db2.gz ULSYNDXYHJTHQT-IXDOHACOSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000247461946 145137613 /nfs/dbraw/zinc/13/76/13/145137613.db2.gz ULSYNDXYHJTHQT-IXDOHACOSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000247461946 145137615 /nfs/dbraw/zinc/13/76/15/145137615.db2.gz ULSYNDXYHJTHQT-IXDOHACOSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000247508382 145139678 /nfs/dbraw/zinc/13/96/78/145139678.db2.gz YEHTWCUMEPPRAF-ZACQAIPSSA-N 2 1 324.513 2.135 10 0 DEAEMP COc1ccccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249045210 145176674 /nfs/dbraw/zinc/17/66/74/145176674.db2.gz VVVZEBSYVCTPCK-XYTVBORESA-N 2 1 315.461 2.489 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261559655 145208118 /nfs/dbraw/zinc/20/81/18/145208118.db2.gz ZEJCLZSUTIPIEJ-KSZLIROESA-N 2 1 315.461 2.094 10 0 DEAEMP CC1(C)C[N@@H+](CCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000261638535 145212637 /nfs/dbraw/zinc/21/26/37/145212637.db2.gz DHAPKLUDXKXGMT-AWEZNQCLSA-N 2 1 300.406 2.338 10 0 DEAEMP c1nn(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261646003 145213007 /nfs/dbraw/zinc/21/30/07/145213007.db2.gz DTESSGVGCVGORD-SFHVURJKSA-N 2 1 311.433 2.231 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262261684 145272101 /nfs/dbraw/zinc/27/21/01/145272101.db2.gz JKSQWZCANMLBAA-IKKRTKPYSA-N 2 1 321.509 2.377 10 0 DEAEMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000305877605 145348681 /nfs/dbraw/zinc/34/86/81/145348681.db2.gz SBKSOJPCISNBDD-OKZBNKHCSA-N 2 1 300.446 2.402 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358649939 147173518 /nfs/dbraw/zinc/17/35/18/147173518.db2.gz OMWSDIZPVFBILZ-IAGOWNOFSA-N 2 1 322.497 2.010 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358649939 147173521 /nfs/dbraw/zinc/17/35/21/147173521.db2.gz OMWSDIZPVFBILZ-IAGOWNOFSA-N 2 1 322.497 2.010 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000127327461 401729376 /nfs/dbraw/zinc/72/93/76/401729376.db2.gz ZZIPBMUDHBIPJX-ZBFHGGJFSA-N 2 1 322.497 2.033 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133848854 401895126 /nfs/dbraw/zinc/89/51/26/401895126.db2.gz VYSJQCKVDDIYIF-CYBMUJFWSA-N 2 1 315.421 2.103 10 0 DEAEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043235 401921249 /nfs/dbraw/zinc/92/12/49/401921249.db2.gz KHWAMHFMDNDPAV-OFLPRAFFSA-N 2 1 324.513 2.088 10 0 DEAEMP COc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121621492 402046643 /nfs/dbraw/zinc/04/66/43/402046643.db2.gz XCNRALJWUFRZSZ-UHFFFAOYSA-N 2 1 319.449 2.297 10 0 DEAEMP CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000123246762 402117316 /nfs/dbraw/zinc/11/73/16/402117316.db2.gz GLXZCJPVNLARBO-IKGGRYGDSA-N 2 1 324.513 2.136 10 0 DEAEMP COc1ccc(C)cc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123423883 402127170 /nfs/dbraw/zinc/12/71/70/402127170.db2.gz BRLJHNIURDKWOB-CABCVRRESA-N 2 1 319.449 2.357 10 0 DEAEMP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000153184057 402131988 /nfs/dbraw/zinc/13/19/88/402131988.db2.gz MSAYLTYGPLSKAJ-JKSUJKDBSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000153184057 402131990 /nfs/dbraw/zinc/13/19/90/402131990.db2.gz MSAYLTYGPLSKAJ-JKSUJKDBSA-N 2 1 303.793 2.407 10 0 DEAEMP COC(=O)c1cccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123911448 402153409 /nfs/dbraw/zinc/15/34/09/402153409.db2.gz HFYWTVHHOQBXLQ-HOCLYGCPSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123911448 402153411 /nfs/dbraw/zinc/15/34/11/402153411.db2.gz HFYWTVHHOQBXLQ-HOCLYGCPSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123911448 402153414 /nfs/dbraw/zinc/15/34/14/402153414.db2.gz HFYWTVHHOQBXLQ-HOCLYGCPSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123911448 402153417 /nfs/dbraw/zinc/15/34/17/402153417.db2.gz HFYWTVHHOQBXLQ-HOCLYGCPSA-N 2 1 320.433 2.267 10 0 DEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000176143744 402283601 /nfs/dbraw/zinc/28/36/01/402283601.db2.gz CJWTXBPYLPPEQW-CABCVRRESA-N 2 1 322.453 2.008 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000176143744 402283605 /nfs/dbraw/zinc/28/36/05/402283605.db2.gz CJWTXBPYLPPEQW-CABCVRRESA-N 2 1 322.453 2.008 10 0 DEAEMP C[NH+]1CCC([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000176830536 402340811 /nfs/dbraw/zinc/34/08/11/402340811.db2.gz WBVCWBJTEMDUOD-UHFFFAOYSA-N 2 1 311.429 2.080 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000178306215 402482632 /nfs/dbraw/zinc/48/26/32/402482632.db2.gz XYJIPBSOIOZWOT-KRWDZBQOSA-N 2 1 312.417 2.319 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC000178306215 402482635 /nfs/dbraw/zinc/48/26/35/402482635.db2.gz XYJIPBSOIOZWOT-KRWDZBQOSA-N 2 1 312.417 2.319 10 0 DEAEMP Cc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000187297878 402492316 /nfs/dbraw/zinc/49/23/16/402492316.db2.gz MVEPUYPYGLNSOI-IBGZPJMESA-N 2 1 316.493 2.300 10 0 DEAEMP Cc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000187297878 402492320 /nfs/dbraw/zinc/49/23/20/402492320.db2.gz MVEPUYPYGLNSOI-IBGZPJMESA-N 2 1 316.493 2.300 10 0 DEAEMP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000168753546 402498633 /nfs/dbraw/zinc/49/86/33/402498633.db2.gz JYBAANUYJYEURA-HNNXBMFYSA-N 2 1 311.429 2.396 10 0 DEAEMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccn1C ZINC000246078896 402507658 /nfs/dbraw/zinc/50/76/58/402507658.db2.gz UQEYEYZFTTVHQV-HLLBOEOZSA-N 2 1 313.449 2.376 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246341762 402525824 /nfs/dbraw/zinc/52/58/24/402525824.db2.gz OVLLSFJPSVARLE-XHSDSOJGSA-N 2 1 312.502 2.087 10 0 DEAEMP COCc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179213222 402581738 /nfs/dbraw/zinc/58/17/38/402581738.db2.gz UKRDYLPWPXQARD-INIZCTEOSA-N 2 1 320.477 2.358 10 0 DEAEMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000179270289 402583307 /nfs/dbraw/zinc/58/33/07/402583307.db2.gz FRFIFCVWEAGACE-QGZVFWFLSA-N 2 1 305.470 2.093 10 0 DEAEMP c1nnc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1C1CC1 ZINC000180868635 402628913 /nfs/dbraw/zinc/62/89/13/402628913.db2.gz DQYLMCXRDUYULX-OAHLLOKOSA-N 2 1 303.454 2.278 10 0 DEAEMP c1nnc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1C1CC1 ZINC000180868635 402628915 /nfs/dbraw/zinc/62/89/15/402628915.db2.gz DQYLMCXRDUYULX-OAHLLOKOSA-N 2 1 303.454 2.278 10 0 DEAEMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000172619055 402666956 /nfs/dbraw/zinc/66/69/56/402666956.db2.gz NVFMLJLXSMVMEZ-UHFFFAOYSA-N 2 1 301.434 2.059 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000173278384 402690720 /nfs/dbraw/zinc/69/07/20/402690720.db2.gz UTYDXSMHXXUJFT-DZGCQCFKSA-N 2 1 324.513 2.420 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1 ZINC000183147732 402742648 /nfs/dbraw/zinc/74/26/48/402742648.db2.gz WMIXNIXRKBVHPD-CYBMUJFWSA-N 2 1 312.417 2.452 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000263254757 402751361 /nfs/dbraw/zinc/75/13/61/402751361.db2.gz KRQDCTOVAMCZGP-LTIDMASMSA-N 2 1 307.482 2.227 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000175106285 402779591 /nfs/dbraw/zinc/77/95/91/402779591.db2.gz PBHJAFANJMCARD-YOEHRIQHSA-N 2 1 303.450 2.303 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000194691152 402810671 /nfs/dbraw/zinc/81/06/71/402810671.db2.gz RMILIKDLGRYCSL-MSOLQXFVSA-N 2 1 315.461 2.109 10 0 DEAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194691152 402810674 /nfs/dbraw/zinc/81/06/74/402810674.db2.gz RMILIKDLGRYCSL-MSOLQXFVSA-N 2 1 315.461 2.109 10 0 DEAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194691152 402810677 /nfs/dbraw/zinc/81/06/77/402810677.db2.gz RMILIKDLGRYCSL-MSOLQXFVSA-N 2 1 315.461 2.109 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000194148072 402785745 /nfs/dbraw/zinc/78/57/45/402785745.db2.gz ZOLQKZAZPZPWMH-QGZVFWFLSA-N 2 1 324.513 2.282 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC000333580342 403784672 /nfs/dbraw/zinc/78/46/72/403784672.db2.gz UDMZKEKVZWHMBJ-RRFJBIMHSA-N 2 1 301.438 2.031 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000333586714 403785733 /nfs/dbraw/zinc/78/57/33/403785733.db2.gz OEGKHKLSAZOBBA-HYVNUMGLSA-N 2 1 322.497 2.081 10 0 DEAEMP O[C@@]1(C[NH2+][C@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000341245697 403861843 /nfs/dbraw/zinc/86/18/43/403861843.db2.gz DFXRLXLCVWWLHK-DLBZAZTESA-N 2 1 306.475 2.109 10 0 DEAEMP O[C@@]1(C[NH2+][C@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000341245697 403861849 /nfs/dbraw/zinc/86/18/49/403861849.db2.gz DFXRLXLCVWWLHK-DLBZAZTESA-N 2 1 306.475 2.109 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323581361 404092879 /nfs/dbraw/zinc/09/28/79/404092879.db2.gz ZCGVUNLSMMWWRT-KRWDZBQOSA-N 2 1 303.450 2.094 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382719121 405032215 /nfs/dbraw/zinc/03/22/15/405032215.db2.gz JZYFDELTGKZCRU-LPHOPBHVSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000396337310 405056742 /nfs/dbraw/zinc/05/67/42/405056742.db2.gz VTQSLKMOUNSNCR-SJLPKXTDSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396337310 405056747 /nfs/dbraw/zinc/05/67/47/405056747.db2.gz VTQSLKMOUNSNCR-SJLPKXTDSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396334503 405057191 /nfs/dbraw/zinc/05/71/91/405057191.db2.gz TUUCSBHWNWNPQI-BPQIPLTHSA-N 2 1 315.461 2.094 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396334503 405057197 /nfs/dbraw/zinc/05/71/97/405057197.db2.gz TUUCSBHWNWNPQI-BPQIPLTHSA-N 2 1 315.461 2.094 10 0 DEAEMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000436287255 405066693 /nfs/dbraw/zinc/06/66/93/405066693.db2.gz ISZJYPQYEDTOMW-QKPAOTATSA-N 2 1 310.388 2.398 10 0 DEAEMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060821 405697385 /nfs/dbraw/zinc/69/73/85/405697385.db2.gz JBKMMODPVROYLZ-ZYSHUDEJSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060821 405697395 /nfs/dbraw/zinc/69/73/95/405697395.db2.gz JBKMMODPVROYLZ-ZYSHUDEJSA-N 2 1 301.478 2.485 10 0 DEAEMP C[NH2+]CCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850419 405713924 /nfs/dbraw/zinc/71/39/24/405713924.db2.gz GCBNOGFUBYBVFT-QGZVFWFLSA-N 2 1 303.450 2.157 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000128949267 196006472 /nfs/dbraw/zinc/00/64/72/196006472.db2.gz GQLWYZVXMYHXIL-HRCADAONSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000128949267 196006473 /nfs/dbraw/zinc/00/64/73/196006473.db2.gz GQLWYZVXMYHXIL-HRCADAONSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000128949267 196006476 /nfs/dbraw/zinc/00/64/76/196006476.db2.gz GQLWYZVXMYHXIL-HRCADAONSA-N 2 1 312.502 2.088 10 0 DEAEMP CCNc1cc(N2CCC(C[NH+](C)C)CC2)nc(SC)[nH+]1 ZINC000131899601 196208136 /nfs/dbraw/zinc/20/81/36/196208136.db2.gz ABCXPSNTMXWHIR-UHFFFAOYSA-N 2 1 309.483 2.408 10 0 DEAEMP CCNc1cc(N2CCC(C[NH+](C)C)CC2)[nH+]c(SC)n1 ZINC000131899601 196208138 /nfs/dbraw/zinc/20/81/38/196208138.db2.gz ABCXPSNTMXWHIR-UHFFFAOYSA-N 2 1 309.483 2.408 10 0 DEAEMP CC(C)[NH+](CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000132436686 196256120 /nfs/dbraw/zinc/25/61/20/196256120.db2.gz ZEZASMBXGIIOLP-HOTGVXAUSA-N 2 1 312.502 2.133 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795144 424923981 /nfs/dbraw/zinc/92/39/81/424923981.db2.gz DZHRFUQCNCSDRN-QFBILLFUSA-N 3 1 301.478 2.486 10 0 DEAEMP Nc1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310102038 424895150 /nfs/dbraw/zinc/89/51/50/424895150.db2.gz YFMADIPFOWGXHU-MRXNPFEDSA-N 2 1 324.428 2.306 10 0 DEAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC3CCCCCC3)cn2)CC1 ZINC000449487136 277114482 /nfs/dbraw/zinc/11/44/82/277114482.db2.gz XBSJHMNNUQEEED-UHFFFAOYSA-N 2 1 317.481 2.288 10 0 DEAEMP C[C@H](C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261737736 278145055 /nfs/dbraw/zinc/14/50/55/278145055.db2.gz NQEHMCIDXFYYSS-FZCLSBEQSA-N 2 1 315.461 2.408 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000168332433 288641530 /nfs/dbraw/zinc/64/15/30/288641530.db2.gz LLPOIRPPLHJBNQ-SOUVJXGZSA-N 2 1 304.438 2.127 10 0 DEAEMP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576823699 326321993 /nfs/dbraw/zinc/32/19/93/326321993.db2.gz WWEAUROOLPGZRJ-GUTXKFCHSA-N 2 1 307.463 2.426 10 0 DEAEMP CCC[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000156614100 520987451 /nfs/dbraw/zinc/98/74/51/520987451.db2.gz JCWCFFMQAVWUII-RYQLBKOJSA-N 2 1 317.477 2.353 10 0 DEAEMP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000262019309 535488545 /nfs/dbraw/zinc/48/85/45/535488545.db2.gz WLGMLZUXDNTTEY-GVDBMIGSSA-N 2 1 310.482 2.330 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380925000 685398726 /nfs/dbraw/zinc/39/87/26/685398726.db2.gz BRDXILJRZSSCRR-RBUKOAKNSA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000380925000 685398732 /nfs/dbraw/zinc/39/87/32/685398732.db2.gz BRDXILJRZSSCRR-RBUKOAKNSA-N 2 1 319.493 2.242 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382722017 685405318 /nfs/dbraw/zinc/40/53/18/685405318.db2.gz NZHSICNSBGTJLO-LMMKCTJWSA-N 2 1 301.478 2.438 10 0 DEAEMP C[C@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000121447471 684107004 /nfs/dbraw/zinc/10/70/04/684107004.db2.gz UOJHLTGIKRIYLI-WDYCEAGBSA-N 2 1 315.461 2.298 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000724036824 777225124 /nfs/dbraw/zinc/22/51/24/777225124.db2.gz QKDMZLFKEXNGII-BBBLOLIVSA-N 2 1 304.303 2.007 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000724036824 777225132 /nfs/dbraw/zinc/22/51/32/777225132.db2.gz QKDMZLFKEXNGII-BBBLOLIVSA-N 2 1 304.303 2.007 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000723820449 787345678 /nfs/dbraw/zinc/34/56/78/787345678.db2.gz FMVDOMCIYQCYQL-ZIAGYGMSSA-N 2 1 311.470 2.173 10 0 DEAEMP OC1CC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638673 792982356 /nfs/dbraw/zinc/98/23/56/792982356.db2.gz PUYHTDDGTYRZBK-CKGODYTQSA-N 2 1 300.446 2.400 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747422 801849047 /nfs/dbraw/zinc/84/90/47/801849047.db2.gz LDHKSNOITOODCU-GOEBONIOSA-N 2 1 323.481 2.483 10 0 DEAEMP CC[NH2+]CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709632926 1086684604 /nfs/dbraw/zinc/68/46/04/1086684604.db2.gz HODLXVPDFGFEQP-QGZVFWFLSA-N 2 1 303.450 2.157 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000710995321 1086692183 /nfs/dbraw/zinc/69/21/83/1086692183.db2.gz MHXNXDGKDGPPJZ-SZMVWBNQSA-N 2 1 318.461 2.496 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000710995321 1086692187 /nfs/dbraw/zinc/69/21/87/1086692187.db2.gz MHXNXDGKDGPPJZ-SZMVWBNQSA-N 2 1 318.461 2.496 10 0 DEAEMP C[N@@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903271 282393892 /nfs/dbraw/zinc/39/38/92/282393892.db2.gz ACZHZSWPWYPALC-SFHVURJKSA-N 2 1 320.477 2.135 10 0 DEAEMP C[C@H]1CN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC[N@H+]1C ZINC000164307124 186155359 /nfs/dbraw/zinc/15/53/59/186155359.db2.gz QXFLOAVJVBHNLU-VIFPVBQESA-N 2 1 300.328 2.130 10 0 DEAEMP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](C2CC2)CC1)C(C)C ZINC000072518516 191186117 /nfs/dbraw/zinc/18/61/17/191186117.db2.gz HCQZVTCPRTYCGT-UHFFFAOYSA-N 2 1 324.513 2.375 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073722623 191347761 /nfs/dbraw/zinc/34/77/61/191347761.db2.gz VFPABFYCNGMQIQ-IFFAKLHKSA-N 2 1 324.513 2.277 10 0 DEAEMP C[C@H]([NH3+])CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404289806 540144104 /nfs/dbraw/zinc/14/41/04/540144104.db2.gz AHLONDZKHMSVBE-JONQDZQNSA-N 2 1 303.450 2.234 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000262679365 356343648 /nfs/dbraw/zinc/34/36/48/356343648.db2.gz VSTVOLDBNXIIEP-NXOAAHMSSA-N 2 1 309.498 2.201 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000262679367 356343764 /nfs/dbraw/zinc/34/37/64/356343764.db2.gz VSTVOLDBNXIIEP-YVSFHVDLSA-N 2 1 309.498 2.201 10 0 DEAEMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528615 283157902 /nfs/dbraw/zinc/15/79/02/283157902.db2.gz QXWXOILYHXKIEA-KBPBESRZSA-N 2 1 311.470 2.316 10 0 DEAEMP C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000181205912 199265411 /nfs/dbraw/zinc/26/54/11/199265411.db2.gz YWIMKDFPPPIQRH-MJBXVCDLSA-N 2 1 305.422 2.224 10 0 DEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591546 239033778 /nfs/dbraw/zinc/03/37/78/239033778.db2.gz DLKKCEAQOGXGGN-HKUYNNGSSA-N 3 1 319.493 2.065 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591546 239033785 /nfs/dbraw/zinc/03/37/85/239033785.db2.gz DLKKCEAQOGXGGN-HKUYNNGSSA-N 3 1 319.493 2.065 10 0 DEAEMP Nc1[nH+]c2cc(Cl)ccc2n1C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675130 193088841 /nfs/dbraw/zinc/08/88/41/193088841.db2.gz KTXQRDZPAFJYGW-NEPJUHHUSA-N 2 1 306.797 2.135 10 0 DEAEMP C(NC1=[NH+]C2(CS1)CCCCC2)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675428 193089128 /nfs/dbraw/zinc/08/91/28/193089128.db2.gz QLXXBDNCSDOVHX-ZIAGYGMSSA-N 2 1 309.479 2.245 10 0 DEAEMP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1C[NH2+]C1CC1 ZINC000092004864 193139635 /nfs/dbraw/zinc/13/96/35/193139635.db2.gz NVPGURKCNHGWHY-KGLIPLIRSA-N 2 1 306.479 2.376 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@@H+](CC)CCOCC ZINC000093597922 193272853 /nfs/dbraw/zinc/27/28/53/193272853.db2.gz KKMINXWJJBEIHO-DLBZAZTESA-N 2 1 300.487 2.266 10 0 DEAEMP CC[NH2+][C@@H]1[C@H](C[N@@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317435 193359664 /nfs/dbraw/zinc/35/96/64/193359664.db2.gz VJTSVEOXUXTEPZ-JKSUJKDBSA-N 2 1 300.487 2.386 10 0 DEAEMP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019281787 182111712 /nfs/dbraw/zinc/11/17/12/182111712.db2.gz APZHQJIOIFSWPJ-SNVBAGLBSA-N 2 1 318.284 2.148 10 0 DEAEMP CC1(C)CC(Nc2[nH+]cnc(N3CCCC3)c2N)CC(C)(C)[NH2+]1 ZINC000040724337 183124830 /nfs/dbraw/zinc/12/48/30/183124830.db2.gz LQFLCPVXXAOVBR-UHFFFAOYSA-N 2 1 318.469 2.380 10 0 DEAEMP C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000043284397 183350596 /nfs/dbraw/zinc/35/05/96/183350596.db2.gz UVZPUVAQXAQHLZ-JOYOIKCWSA-N 2 1 318.284 2.146 10 0 DEAEMP CCC[C@@H](c1nc2c(s1)C[N@H+](CC)CC2)N1CC[NH2+]CC1 ZINC000109472737 194267140 /nfs/dbraw/zinc/26/71/40/194267140.db2.gz XUZIBBGAKCZHAH-AWEZNQCLSA-N 2 1 308.495 2.268 10 0 DEAEMP CCC[C@@H](c1nc2c(s1)C[N@@H+](CC)CC2)N1CC[NH2+]CC1 ZINC000109472737 194267142 /nfs/dbraw/zinc/26/71/42/194267142.db2.gz XUZIBBGAKCZHAH-AWEZNQCLSA-N 2 1 308.495 2.268 10 0 DEAEMP CN(CCC[NH+](C)C)c1c(C(N)=S)c[nH+]c2ccccc21 ZINC000111139020 194394120 /nfs/dbraw/zinc/39/41/20/194394120.db2.gz BQJYQPLSWMKMEW-UHFFFAOYSA-N 2 1 302.447 2.257 10 0 DEAEMP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061940920 184197228 /nfs/dbraw/zinc/19/72/28/184197228.db2.gz LCXDYJIMHKNIIA-MELADBBJSA-N 2 1 307.404 2.320 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000158990812 197317448 /nfs/dbraw/zinc/31/74/48/197317448.db2.gz DTXCLPIVPHQDPC-ROUUACIJSA-N 2 1 317.477 2.498 10 0 DEAEMP COc1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+](C)C)[C@@H]3C2)cc1 ZINC000247965911 257112644 /nfs/dbraw/zinc/11/26/44/257112644.db2.gz GKMGDWSOHBLDOI-NXHRZFHOSA-N 2 1 304.434 2.094 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000358182441 133126658 /nfs/dbraw/zinc/12/66/58/133126658.db2.gz DCKPNAZGJGRUEI-SJORKVTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358182441 133126659 /nfs/dbraw/zinc/12/66/59/133126659.db2.gz DCKPNAZGJGRUEI-SJORKVTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358182441 133126660 /nfs/dbraw/zinc/12/66/60/133126660.db2.gz DCKPNAZGJGRUEI-SJORKVTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000358183211 133126854 /nfs/dbraw/zinc/12/68/54/133126854.db2.gz FKHOJRGWLHMWEP-UHFFFAOYSA-N 2 1 322.497 2.060 10 0 DEAEMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362721931 133247855 /nfs/dbraw/zinc/24/78/55/133247855.db2.gz DCQRJNWSCFYMMS-KRWDZBQOSA-N 2 1 309.498 2.489 10 0 DEAEMP CCOCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373115145 133378046 /nfs/dbraw/zinc/37/80/46/133378046.db2.gz HVLLWIKMGAUQAS-QZTJIDSGSA-N 2 1 312.498 2.362 10 0 DEAEMP O=C1C[C@H](c2ccccc2)[N@H+](CCC[NH+]2CCCC2)CCN1 ZINC000193476069 145086433 /nfs/dbraw/zinc/08/64/33/145086433.db2.gz LRHYWYSWDVSART-QGZVFWFLSA-N 2 1 301.434 2.036 10 0 DEAEMP O=C1C[C@H](c2ccccc2)[N@@H+](CCC[NH+]2CCCC2)CCN1 ZINC000193476069 145086435 /nfs/dbraw/zinc/08/64/35/145086435.db2.gz LRHYWYSWDVSART-QGZVFWFLSA-N 2 1 301.434 2.036 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000245444273 145092386 /nfs/dbraw/zinc/09/23/86/145092386.db2.gz XYCRNLQACXSKQO-ROUUACIJSA-N 2 1 315.461 2.447 10 0 DEAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246696362 145110686 /nfs/dbraw/zinc/11/06/86/145110686.db2.gz XNBIQCSNTROXQL-JKSUJKDBSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246815483 145115382 /nfs/dbraw/zinc/11/53/82/145115382.db2.gz DJBJBOFTWIZPHI-BRWVUGGUSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246815483 145115383 /nfs/dbraw/zinc/11/53/83/145115383.db2.gz DJBJBOFTWIZPHI-BRWVUGGUSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246815483 145115384 /nfs/dbraw/zinc/11/53/84/145115384.db2.gz DJBJBOFTWIZPHI-BRWVUGGUSA-N 2 1 324.513 2.279 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC000246837104 145116485 /nfs/dbraw/zinc/11/64/85/145116485.db2.gz BLOGNWTZFMIPJV-GDBMZVCRSA-N 2 1 304.438 2.057 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C ZINC000246837104 145116488 /nfs/dbraw/zinc/11/64/88/145116488.db2.gz BLOGNWTZFMIPJV-GDBMZVCRSA-N 2 1 304.438 2.057 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCCCC[NH+](C)C ZINC000247082102 145125451 /nfs/dbraw/zinc/12/54/51/145125451.db2.gz HXDHRMLTGBGBAI-SJORKVTESA-N 2 1 324.513 2.377 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247471587 145138432 /nfs/dbraw/zinc/13/84/32/145138432.db2.gz VHNGWBXSNPEKPH-NJAFHUGGSA-N 2 1 317.477 2.004 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247471587 145138433 /nfs/dbraw/zinc/13/84/33/145138433.db2.gz VHNGWBXSNPEKPH-NJAFHUGGSA-N 2 1 317.477 2.004 10 0 DEAEMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(F)cc3F)CC[C@@H]21 ZINC000248054459 145147632 /nfs/dbraw/zinc/14/76/32/145147632.db2.gz WZVLEHGRRVTXBM-OAUYIBNBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(F)cc3F)CC[C@@H]21 ZINC000248054459 145147633 /nfs/dbraw/zinc/14/76/33/145147633.db2.gz WZVLEHGRRVTXBM-OAUYIBNBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3F)CC[C@@H]21 ZINC000248054459 145147635 /nfs/dbraw/zinc/14/76/35/145147635.db2.gz WZVLEHGRRVTXBM-OAUYIBNBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3F)CC[C@@H]21 ZINC000248054459 145147636 /nfs/dbraw/zinc/14/76/36/145147636.db2.gz WZVLEHGRRVTXBM-OAUYIBNBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261547905 145207227 /nfs/dbraw/zinc/20/72/27/145207227.db2.gz MTVIRHDNXHLMLW-RDJZCZTQSA-N 2 1 317.477 2.401 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261559656 145207569 /nfs/dbraw/zinc/20/75/69/145207569.db2.gz ZEJCLZSUTIPIEJ-OKZBNKHCSA-N 2 1 315.461 2.094 10 0 DEAEMP CC1(C)C[N@@H+](CCC(=O)N2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000261678490 145216185 /nfs/dbraw/zinc/21/61/85/145216185.db2.gz GUVOXGPJAAZDPF-INIZCTEOSA-N 2 1 301.434 2.025 10 0 DEAEMP C[C@H]([NH3+])CC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877572 145237339 /nfs/dbraw/zinc/23/73/39/145237339.db2.gz SMBOTDHHUAIQCL-WMLDXEAASA-N 2 1 317.477 2.313 10 0 DEAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000261950369 145245829 /nfs/dbraw/zinc/24/58/29/145245829.db2.gz LNCUIKQGYZWYMU-MRXNPFEDSA-N 2 1 319.449 2.077 10 0 DEAEMP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261974400 145248708 /nfs/dbraw/zinc/24/87/08/145248708.db2.gz QZFNQEPUPVPZLX-KURKYZTESA-N 2 1 304.434 2.121 10 0 DEAEMP Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)sc1C ZINC000262027532 145254729 /nfs/dbraw/zinc/25/47/29/145254729.db2.gz XECILDNLGXITGR-KFWWJZLASA-N 2 1 309.479 2.049 10 0 DEAEMP Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262053918 145257354 /nfs/dbraw/zinc/25/73/54/145257354.db2.gz ZXVGACKZLKXNCW-XKQJLSEDSA-N 2 1 310.388 2.254 10 0 DEAEMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000305877603 145348595 /nfs/dbraw/zinc/34/85/95/145348595.db2.gz SBKSOJPCISNBDD-FGTMMUONSA-N 2 1 300.446 2.402 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111841737 401725793 /nfs/dbraw/zinc/72/57/93/401725793.db2.gz BYQMOKOIKHWJDV-INIZCTEOSA-N 2 1 310.486 2.036 10 0 DEAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC000135123554 401927943 /nfs/dbraw/zinc/92/79/43/401927943.db2.gz RUZAHURDSDOXES-DOTOQJQBSA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)CC[N@H+]1C ZINC000135123554 401927946 /nfs/dbraw/zinc/92/79/46/401927946.db2.gz RUZAHURDSDOXES-DOTOQJQBSA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CC[NH+]1C ZINC000135123554 401927951 /nfs/dbraw/zinc/92/79/51/401927951.db2.gz RUZAHURDSDOXES-DOTOQJQBSA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)CC[NH+]1C ZINC000135123554 401927954 /nfs/dbraw/zinc/92/79/54/401927954.db2.gz RUZAHURDSDOXES-DOTOQJQBSA-N 2 1 303.450 2.454 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000089633105 401954939 /nfs/dbraw/zinc/95/49/39/401954939.db2.gz RHTMOVXOFDGJAB-OLZOCXBDSA-N 2 1 321.446 2.264 10 0 DEAEMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123727083 402143419 /nfs/dbraw/zinc/14/34/19/402143419.db2.gz SBLJJZQPXMPCOL-HUUCEWRRSA-N 2 1 318.465 2.122 10 0 DEAEMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123727083 402143421 /nfs/dbraw/zinc/14/34/21/402143421.db2.gz SBLJJZQPXMPCOL-HUUCEWRRSA-N 2 1 318.465 2.122 10 0 DEAEMP COC(=O)c1cccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123911255 402153533 /nfs/dbraw/zinc/15/35/33/402153533.db2.gz HFYWTVHHOQBXLQ-ZBFHGGJFSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123911255 402153534 /nfs/dbraw/zinc/15/35/34/402153534.db2.gz HFYWTVHHOQBXLQ-ZBFHGGJFSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123911255 402153536 /nfs/dbraw/zinc/15/35/36/402153536.db2.gz HFYWTVHHOQBXLQ-ZBFHGGJFSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123911255 402153538 /nfs/dbraw/zinc/15/35/38/402153538.db2.gz HFYWTVHHOQBXLQ-ZBFHGGJFSA-N 2 1 320.433 2.267 10 0 DEAEMP CC[NH+](CC)CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000154851749 402236084 /nfs/dbraw/zinc/23/60/84/402236084.db2.gz QBFDYRBKHODUII-LJQANCHMSA-N 2 1 317.477 2.499 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000176414293 402307167 /nfs/dbraw/zinc/30/71/67/402307167.db2.gz GUDYFDARVXABBB-QGZVFWFLSA-N 2 1 324.513 2.234 10 0 DEAEMP CCn1cnnc1[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163481539 402450958 /nfs/dbraw/zinc/45/09/58/402450958.db2.gz APENAFJMUSOVFC-INIZCTEOSA-N 2 1 316.453 2.463 10 0 DEAEMP CCn1cnnc1[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163481539 402450962 /nfs/dbraw/zinc/45/09/62/402450962.db2.gz APENAFJMUSOVFC-INIZCTEOSA-N 2 1 316.453 2.463 10 0 DEAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000245467872 402464178 /nfs/dbraw/zinc/46/41/78/402464178.db2.gz KGDFCSPPYOOFSY-SJORKVTESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245467872 402464181 /nfs/dbraw/zinc/46/41/81/402464181.db2.gz KGDFCSPPYOOFSY-SJORKVTESA-N 2 1 324.513 2.233 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000178332632 402485717 /nfs/dbraw/zinc/48/57/17/402485717.db2.gz JCEUHVKZOVULCL-QGZVFWFLSA-N 2 1 324.428 2.245 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000178332632 402485720 /nfs/dbraw/zinc/48/57/20/402485720.db2.gz JCEUHVKZOVULCL-QGZVFWFLSA-N 2 1 324.428 2.245 10 0 DEAEMP COc1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)nn1C ZINC000246091299 402509016 /nfs/dbraw/zinc/50/90/16/402509016.db2.gz IPBXHHZBYLBSBH-WMLDXEAASA-N 2 1 318.465 2.186 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000247461877 402567639 /nfs/dbraw/zinc/56/76/39/402567639.db2.gz ULKQZLLFJGDDQD-UKRRQHHQSA-N 2 1 324.513 2.324 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000246179098 402516037 /nfs/dbraw/zinc/51/60/37/402516037.db2.gz LQFGGGRGRLHKPZ-IRXDYDNUSA-N 2 1 324.513 2.373 10 0 DEAEMP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246352312 402526805 /nfs/dbraw/zinc/52/68/05/402526805.db2.gz PFFSDSFDNVSXSV-RBSFLKMASA-N 2 1 312.502 2.087 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000246385742 402528737 /nfs/dbraw/zinc/52/87/37/402528737.db2.gz OYCDWPUIIJKQBS-SJORKVTESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000246385742 402528739 /nfs/dbraw/zinc/52/87/39/402528739.db2.gz OYCDWPUIIJKQBS-SJORKVTESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000246469124 402532931 /nfs/dbraw/zinc/53/29/31/402532931.db2.gz VIEZQXLDVYCORT-SJORKVTESA-N 2 1 322.497 2.127 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246528066 402535444 /nfs/dbraw/zinc/53/54/44/402535444.db2.gz XRNIFSRYYRNCHE-ZACQAIPSSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246528066 402535446 /nfs/dbraw/zinc/53/54/46/402535446.db2.gz XRNIFSRYYRNCHE-ZACQAIPSSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246528066 402535448 /nfs/dbraw/zinc/53/54/48/402535448.db2.gz XRNIFSRYYRNCHE-ZACQAIPSSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249752654 402640585 /nfs/dbraw/zinc/64/05/85/402640585.db2.gz DXJABOYYWHRAAD-IAGOWNOFSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249752654 402640587 /nfs/dbraw/zinc/64/05/87/402640587.db2.gz DXJABOYYWHRAAD-IAGOWNOFSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249752654 402640590 /nfs/dbraw/zinc/64/05/90/402640590.db2.gz DXJABOYYWHRAAD-IAGOWNOFSA-N 2 1 324.513 2.425 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccco2)N(C)C)CC[N@H+]1C ZINC000252537989 402658691 /nfs/dbraw/zinc/65/86/91/402658691.db2.gz BWXKWESOHQCYLS-RBSFLKMASA-N 2 1 322.453 2.006 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000252537989 402658699 /nfs/dbraw/zinc/65/86/99/402658699.db2.gz BWXKWESOHQCYLS-RBSFLKMASA-N 2 1 322.453 2.006 10 0 DEAEMP Cc1cccc(NC[C@H]2CCN(CC(=O)OCC(C)C)C2)n1 ZINC000181462167 402646120 /nfs/dbraw/zinc/64/61/20/402646120.db2.gz CJKCAAMFZGPKPH-OAHLLOKOSA-N 2 1 305.422 2.323 10 0 DEAEMP CO[C@H]1C[NH+](CCCC[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251853857 402650541 /nfs/dbraw/zinc/65/05/41/402650541.db2.gz NSPVRTBWVKEIMC-USTZCAOPSA-N 2 1 312.498 2.480 10 0 DEAEMP CO[C@H]1C[N@H+](CCCC[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251853857 402650543 /nfs/dbraw/zinc/65/05/43/402650543.db2.gz NSPVRTBWVKEIMC-USTZCAOPSA-N 2 1 312.498 2.480 10 0 DEAEMP CO[C@H]1C[N@@H+](CCCC[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251853857 402650545 /nfs/dbraw/zinc/65/05/45/402650545.db2.gz NSPVRTBWVKEIMC-USTZCAOPSA-N 2 1 312.498 2.480 10 0 DEAEMP CN1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000174887118 402761743 /nfs/dbraw/zinc/76/17/43/402761743.db2.gz QRBATJVEYARDFY-QGZVFWFLSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000174887118 402761745 /nfs/dbraw/zinc/76/17/45/402761745.db2.gz QRBATJVEYARDFY-QGZVFWFLSA-N 2 1 305.441 2.428 10 0 DEAEMP COCC[N@@H+](C)CCCNc1cc(C)nc(-c2cccnc2)n1 ZINC000194554214 402802685 /nfs/dbraw/zinc/80/26/85/402802685.db2.gz BOWLIEVNXLMROE-UHFFFAOYSA-N 2 1 315.421 2.227 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146253 402785636 /nfs/dbraw/zinc/78/56/36/402785636.db2.gz LSVYGVXAGGDCAF-BBWFWOEESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146253 402785637 /nfs/dbraw/zinc/78/56/37/402785637.db2.gz LSVYGVXAGGDCAF-BBWFWOEESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146253 402785639 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DEAEMP Brc1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000090320497 185290855 /nfs/dbraw/zinc/29/08/55/185290855.db2.gz JCZPGWQDDLHYIO-LZWOXQAQSA-N 2 1 321.262 2.458 10 0 DEAEMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000272676301 210080815 /nfs/dbraw/zinc/08/08/15/210080815.db2.gz LTJKRSCRFXVORD-NJAFHUGGSA-N 2 1 306.450 2.148 10 0 DEAEMP Cc1nc(C)c(Br)c(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000322792476 539903350 /nfs/dbraw/zinc/90/33/50/539903350.db2.gz AABCFISEJOACHT-LLVKDONJSA-N 2 1 311.227 2.140 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC000333523207 539962535 /nfs/dbraw/zinc/96/25/35/539962535.db2.gz GXEQXQMKQKFJQI-SJJHQCBESA-N 2 1 316.449 2.001 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000057792726 354580157 /nfs/dbraw/zinc/58/01/57/354580157.db2.gz INJHNAFOHUWBSH-MRXNPFEDSA-N 2 1 310.486 2.082 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382712635 540124056 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0 DEAEMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528620 283157967 /nfs/dbraw/zinc/15/79/67/283157967.db2.gz QXWXOILYHXKIEA-UONOGXRCSA-N 2 1 311.470 2.316 10 0 DEAEMP C[NH+](C)CCOC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000601761797 360137604 /nfs/dbraw/zinc/13/76/04/360137604.db2.gz MPLKDYSRVWKIMC-UHFFFAOYSA-N 2 1 303.406 2.370 10 0 DEAEMP Nc1[nH+]c2cc(Cl)ccc2n1C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675131 193089552 /nfs/dbraw/zinc/08/95/52/193089552.db2.gz KTXQRDZPAFJYGW-VXGBXAGGSA-N 2 1 306.797 2.135 10 0 DEAEMP CC1(C)CC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000631078291 368006565 /nfs/dbraw/zinc/00/65/65/368006565.db2.gz SOIDATWFVFZTES-MJGOQNOKSA-N 2 1 318.461 2.171 10 0 DEAEMP CC1(C)CC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000631078291 368006570 /nfs/dbraw/zinc/00/65/70/368006570.db2.gz SOIDATWFVFZTES-MJGOQNOKSA-N 2 1 318.461 2.171 10 0 DEAEMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc2c1OCCO2 ZINC000092253538 193180494 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C[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093618266 193275519 /nfs/dbraw/zinc/27/55/19/193275519.db2.gz MKIAEGIBVPIBAY-RDBSUJKOSA-N 2 1 308.388 2.401 10 0 DEAEMP CC(C)[N@H+](CC(=O)NCc1cccs1)CC1CC[NH2+]CC1 ZINC000094025846 193340136 /nfs/dbraw/zinc/34/01/36/193340136.db2.gz RCTUMXCZKYACHE-UHFFFAOYSA-N 2 1 309.479 2.074 10 0 DEAEMP C[NH2+][C@@H]1CCCc2sc(N3CC[N@H+]4CCCC[C@@H]4C3)nc21 ZINC000094444124 193369687 /nfs/dbraw/zinc/36/96/87/193369687.db2.gz CNVJAGCOBRBETR-CHWSQXEVSA-N 2 1 306.479 2.414 10 0 DEAEMP [NH3+]C[C@H](c1ccccc1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457327 193371690 /nfs/dbraw/zinc/37/16/90/193371690.db2.gz SSQHDNKLLDPONK-IUODEOHRSA-N 2 1 324.266 2.229 10 0 DEAEMP CC[NH+]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475239 182221678 /nfs/dbraw/zinc/22/16/78/182221678.db2.gz REUNDJSNOGXMBO-NSHDSACASA-N 2 1 318.284 2.148 10 0 DEAEMP C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000043090415 183335748 /nfs/dbraw/zinc/33/57/48/183335748.db2.gz JYNFPTPLJWRGFL-SMDDNHRTSA-N 2 1 312.255 2.085 10 0 DEAEMP CCC[N@H+]1CCc2nc([C@@H](CC)N3CC[NH2+]CC3)sc2C1 ZINC000109472409 194267550 /nfs/dbraw/zinc/26/75/50/194267550.db2.gz SAHADEJZSVDELV-CQSZACIVSA-N 2 1 308.495 2.268 10 0 DEAEMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1CCOC ZINC000110031117 194304331 /nfs/dbraw/zinc/30/43/31/194304331.db2.gz LXUPZUXUHJENRS-INIZCTEOSA-N 2 1 321.465 2.250 10 0 DEAEMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1CCOC ZINC000110031117 194304334 /nfs/dbraw/zinc/30/43/34/194304334.db2.gz LXUPZUXUHJENRS-INIZCTEOSA-N 2 1 321.465 2.250 10 0 DEAEMP C[NH+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC000062364311 184233237 /nfs/dbraw/zinc/23/32/37/184233237.db2.gz VTDUQEYHCLXJBL-MRXNPFEDSA-N 2 1 303.450 2.280 10 0 DEAEMP c1cc(C[NH+]2CCO[C@H]3C[N@@H+](CC4CC4)CC[C@H]3C2)ccn1 ZINC000253591212 257105526 /nfs/dbraw/zinc/10/55/26/257105526.db2.gz KSIYJAMICDLLAW-ROUUACIJSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[N@@H+]2CCO[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)ccn1 ZINC000253591212 257105527 /nfs/dbraw/zinc/10/55/27/257105527.db2.gz KSIYJAMICDLLAW-ROUUACIJSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[N@H+]2CCO[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)ccn1 ZINC000253591212 257105528 /nfs/dbraw/zinc/10/55/28/257105528.db2.gz KSIYJAMICDLLAW-ROUUACIJSA-N 2 1 301.434 2.014 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000358182428 133126720 /nfs/dbraw/zinc/12/67/20/133126720.db2.gz DCKPNAZGJGRUEI-IAGOWNOFSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000358182428 133126721 /nfs/dbraw/zinc/12/67/21/133126721.db2.gz DCKPNAZGJGRUEI-IAGOWNOFSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358182428 133126722 /nfs/dbraw/zinc/12/67/22/133126722.db2.gz DCKPNAZGJGRUEI-IAGOWNOFSA-N 2 1 322.497 2.058 10 0 DEAEMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000193047049 145081511 /nfs/dbraw/zinc/08/15/11/145081511.db2.gz IKWMDOUVOWHBMQ-GOOCMWNKSA-N 2 1 318.417 2.197 10 0 DEAEMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000193047049 145081512 /nfs/dbraw/zinc/08/15/12/145081512.db2.gz IKWMDOUVOWHBMQ-GOOCMWNKSA-N 2 1 318.417 2.197 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000247158245 145127505 /nfs/dbraw/zinc/12/75/05/145127505.db2.gz KHKNTPSEUBRADF-HOTGVXAUSA-N 2 1 312.502 2.280 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247473932 145138520 /nfs/dbraw/zinc/13/85/20/145138520.db2.gz HPXYSNKMMVOSFJ-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247473932 145138521 /nfs/dbraw/zinc/13/85/21/145138521.db2.gz HPXYSNKMMVOSFJ-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247473932 145138522 /nfs/dbraw/zinc/13/85/22/145138522.db2.gz HPXYSNKMMVOSFJ-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261558160 145208189 /nfs/dbraw/zinc/20/81/89/145208189.db2.gz XXYPNSHWEMAJJE-GOSISDBHSA-N 2 1 315.461 2.109 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2c1NCC2 ZINC000261787641 145226814 /nfs/dbraw/zinc/22/68/14/145226814.db2.gz FYZMFDCLBNZBAJ-KZNAEPCWSA-N 2 1 315.461 2.338 10 0 DEAEMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261906987 145240575 /nfs/dbraw/zinc/24/05/75/145240575.db2.gz IKYRTAYYZCVYLF-KFWWJZLASA-N 2 1 309.479 2.049 10 0 DEAEMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261913326 145241358 /nfs/dbraw/zinc/24/13/58/145241358.db2.gz JISHNFZNFIUQAL-UHOSZYNNSA-N 2 1 313.445 2.457 10 0 DEAEMP COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261999798 145252120 /nfs/dbraw/zinc/25/21/20/145252120.db2.gz UKDWXEBKEZZNJY-KSZLIROESA-N 2 1 304.434 2.080 10 0 DEAEMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCC1C[NH2+]C1 ZINC000262023600 145253600 /nfs/dbraw/zinc/25/36/00/145253600.db2.gz MTROUQKMEYGFJL-UHFFFAOYSA-N 2 1 323.440 2.024 10 0 DEAEMP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)sc1C ZINC000262027543 145254575 /nfs/dbraw/zinc/25/45/75/145254575.db2.gz XECILDNLGXITGR-ZNMIVQPWSA-N 2 1 309.479 2.049 10 0 DEAEMP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262302741 145274756 /nfs/dbraw/zinc/27/47/56/145274756.db2.gz OUHPVESLCCDOHI-VQHPVUNQSA-N 2 1 307.482 2.097 10 0 DEAEMP C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]C1 ZINC000262365586 145279343 /nfs/dbraw/zinc/27/93/43/145279343.db2.gz WWBYJEGWQLXUCW-ZSNVMCELSA-N 2 1 307.482 2.144 10 0 DEAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309711982 145351183 /nfs/dbraw/zinc/35/11/83/145351183.db2.gz JPUHYTYEZTXYNY-IAGOWNOFSA-N 2 1 303.450 2.142 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000137209122 401980913 /nfs/dbraw/zinc/98/09/13/401980913.db2.gz ZVYZJGCEZDIIIH-INIZCTEOSA-N 2 1 322.497 2.131 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120177475 401981311 /nfs/dbraw/zinc/98/13/11/401981311.db2.gz SBRIHCAKBDGFLS-CQSZACIVSA-N 2 1 315.421 2.341 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161406 402216806 /nfs/dbraw/zinc/21/68/06/402216806.db2.gz VOVQNGTTWIAUEQ-QGZVFWFLSA-N 2 1 312.417 2.319 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000125161406 402216807 /nfs/dbraw/zinc/21/68/07/402216807.db2.gz VOVQNGTTWIAUEQ-QGZVFWFLSA-N 2 1 312.417 2.319 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177713277 402429533 /nfs/dbraw/zinc/42/95/33/402429533.db2.gz NLBMRGDFIXLMAD-HZPDHXFCSA-N 2 1 318.465 2.482 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177713277 402429537 /nfs/dbraw/zinc/42/95/37/402429537.db2.gz NLBMRGDFIXLMAD-HZPDHXFCSA-N 2 1 318.465 2.482 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000178314654 402484170 /nfs/dbraw/zinc/48/41/70/402484170.db2.gz BLOGNWTZFMIPJV-GOEBONIOSA-N 2 1 304.438 2.057 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000178314654 402484174 /nfs/dbraw/zinc/48/41/74/402484174.db2.gz BLOGNWTZFMIPJV-GOEBONIOSA-N 2 1 304.438 2.057 10 0 DEAEMP COC[C@H](C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000187187580 402487167 /nfs/dbraw/zinc/48/71/67/402487167.db2.gz ZMPFZMMNXLHLHG-GOSISDBHSA-N 2 1 319.493 2.019 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246162070 402513738 /nfs/dbraw/zinc/51/37/38/402513738.db2.gz FAOODDOUAIZTAW-HUUCEWRRSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247404605 402566214 /nfs/dbraw/zinc/56/62/14/402566214.db2.gz IDLKGGOLPMKPMP-WZYMTQMTSA-N 2 1 310.486 2.031 10 0 DEAEMP CC[C@@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247404605 402566215 /nfs/dbraw/zinc/56/62/15/402566215.db2.gz IDLKGGOLPMKPMP-WZYMTQMTSA-N 2 1 310.486 2.031 10 0 DEAEMP CC[C@@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247404605 402566218 /nfs/dbraw/zinc/56/62/18/402566218.db2.gz IDLKGGOLPMKPMP-WZYMTQMTSA-N 2 1 310.486 2.031 10 0 DEAEMP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246352303 402526574 /nfs/dbraw/zinc/52/65/74/402526574.db2.gz PFFSDSFDNVSXSV-KFWWJZLASA-N 2 1 312.502 2.087 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000246606327 402538132 /nfs/dbraw/zinc/53/81/32/402538132.db2.gz QZMBZRNJGQCRPE-BBWFWOEESA-N 2 1 307.482 2.336 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000173889223 402717754 /nfs/dbraw/zinc/71/77/54/402717754.db2.gz KBRMEWVKZDRGOZ-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173529594 402701552 /nfs/dbraw/zinc/70/15/52/402701552.db2.gz ZZVFUKCJRVMKMW-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173529594 402701553 /nfs/dbraw/zinc/70/15/53/402701553.db2.gz ZZVFUKCJRVMKMW-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173529594 402701555 /nfs/dbraw/zinc/70/15/55/402701555.db2.gz ZZVFUKCJRVMKMW-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000173529594 402701556 /nfs/dbraw/zinc/70/15/56/402701556.db2.gz ZZVFUKCJRVMKMW-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1 ZINC000183147752 402743017 /nfs/dbraw/zinc/74/30/17/402743017.db2.gz WMIXNIXRKBVHPD-ZDUSSCGKSA-N 2 1 312.417 2.452 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760498 402748470 /nfs/dbraw/zinc/74/84/70/402748470.db2.gz YFOBZLHGKDMQHP-MOPGFXCFSA-N 2 1 323.525 2.030 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000174896762 402761787 /nfs/dbraw/zinc/76/17/87/402761787.db2.gz ZDZOYWHISBSWGY-LJQANCHMSA-N 2 1 301.478 2.331 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000174896762 402761788 /nfs/dbraw/zinc/76/17/88/402761788.db2.gz ZDZOYWHISBSWGY-LJQANCHMSA-N 2 1 301.478 2.331 10 0 DEAEMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275574625 403106815 /nfs/dbraw/zinc/10/68/15/403106815.db2.gz OPBMSFWPSLHFSW-CYBMUJFWSA-N 2 1 308.385 2.489 10 0 DEAEMP C[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000301628863 403656247 /nfs/dbraw/zinc/65/62/47/403656247.db2.gz BUFOYLRWCHLRBA-HZPDHXFCSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000301628863 403656250 /nfs/dbraw/zinc/65/62/50/403656250.db2.gz BUFOYLRWCHLRBA-HZPDHXFCSA-N 2 1 303.793 2.407 10 0 DEAEMP C([C@@H]1CCOC1)[NH+]1CCCC2(CCC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998708 404066401 /nfs/dbraw/zinc/06/64/01/404066401.db2.gz XVOUXMJZMARCPG-ADUPEVMXSA-N 2 1 322.493 2.237 10 0 DEAEMP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261934832 292307497 /nfs/dbraw/zinc/30/74/97/292307497.db2.gz MDAZRTDAYKCUSB-BRWVUGGUSA-N 2 1 310.482 2.330 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn2ccccc12 ZINC000378373561 404945934 /nfs/dbraw/zinc/94/59/34/404945934.db2.gz TZVFHFNUIOITCF-KBAYOESNSA-N 2 1 314.433 2.018 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn2ccccc12 ZINC000378373561 404945941 /nfs/dbraw/zinc/94/59/41/404945941.db2.gz TZVFHFNUIOITCF-KBAYOESNSA-N 2 1 314.433 2.018 10 0 DEAEMP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368585910 405244812 /nfs/dbraw/zinc/24/48/12/405244812.db2.gz UYVSGMCMXDWTEQ-NJAFHUGGSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368585910 405244815 /nfs/dbraw/zinc/24/48/15/405244815.db2.gz UYVSGMCMXDWTEQ-NJAFHUGGSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368585910 405244818 /nfs/dbraw/zinc/24/48/18/405244818.db2.gz UYVSGMCMXDWTEQ-NJAFHUGGSA-N 2 1 316.445 2.249 10 0 DEAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638448458 405474250 /nfs/dbraw/zinc/47/42/50/405474250.db2.gz ROWLFMMGESXDGU-LZLYRXPVSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638448458 405474261 /nfs/dbraw/zinc/47/42/61/405474261.db2.gz ROWLFMMGESXDGU-LZLYRXPVSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000634768386 406274449 /nfs/dbraw/zinc/27/44/49/406274449.db2.gz IDJCYGAHLYECRP-AYBZRNKSSA-N 2 1 315.461 2.013 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635003143 406395230 /nfs/dbraw/zinc/39/52/30/406395230.db2.gz GPSUJFPVFLFZPV-NEWSRXKRSA-N 3 1 319.493 2.098 10 0 DEAEMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003091 406396160 /nfs/dbraw/zinc/39/61/60/406396160.db2.gz FTZNFNWKZVSGFV-NEPXVJNWSA-N 2 1 301.478 2.342 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003091 406396168 /nfs/dbraw/zinc/39/61/68/406396168.db2.gz FTZNFNWKZVSGFV-NEPXVJNWSA-N 3 1 301.478 2.342 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003091 406396173 /nfs/dbraw/zinc/39/61/73/406396173.db2.gz FTZNFNWKZVSGFV-NEPXVJNWSA-N 3 1 301.478 2.342 10 0 DEAEMP C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000525291531 406482726 /nfs/dbraw/zinc/48/27/26/406482726.db2.gz KPEYAJHFLNAAPZ-MRXNPFEDSA-N 2 1 315.461 2.354 10 0 DEAEMP [NH3+]C1(CC(=O)NC2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637872353 406456565 /nfs/dbraw/zinc/45/65/65/406456565.db2.gz IWDBNIGTFAKMST-UHFFFAOYSA-N 2 1 315.461 2.429 10 0 DEAEMP CC[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000638114781 406577484 /nfs/dbraw/zinc/57/74/84/406577484.db2.gz YHPJCENNYPGVAH-MIGBEJBISA-N 2 1 315.461 2.296 10 0 DEAEMP CC[C@@](C)(C(=O)c1c(Cl)cnn1CC[NH+](C)C)[NH+](C)C ZINC000134100511 196361476 /nfs/dbraw/zinc/36/14/76/196361476.db2.gz CWZVDHFIFNXXCI-AWEZNQCLSA-N 2 1 300.834 2.011 10 0 DEAEMP CCSc1cccc(N(C)C[C@@H]2CC[N@@H+](C)C2)c1C(N)=[NH2+] ZINC000136953173 196558677 /nfs/dbraw/zinc/55/86/77/196558677.db2.gz KKKQRBNBIUTBRO-GFCCVEGCSA-N 2 1 306.479 2.471 10 0 DEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962795 287345194 /nfs/dbraw/zinc/34/51/94/287345194.db2.gz PSBSHNKOCUNRSM-TVFCKZIOSA-N 2 1 323.525 2.244 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000105876706 424849302 /nfs/dbraw/zinc/84/93/02/424849302.db2.gz LNAVADHWCRSYFJ-UHFFFAOYSA-N 2 1 318.465 2.124 10 0 DEAEMP c1ccc(C[N@H+]2CCCO[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619069 269098256 /nfs/dbraw/zinc/09/82/56/269098256.db2.gz YZNGCNAMQAKGEA-RBUKOAKNSA-N 2 1 317.477 2.009 10 0 DEAEMP c1ccc(CN2CCCO[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619069 269098257 /nfs/dbraw/zinc/09/82/57/269098257.db2.gz YZNGCNAMQAKGEA-RBUKOAKNSA-N 2 1 317.477 2.009 10 0 DEAEMP c1nc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814008 275075671 /nfs/dbraw/zinc/07/56/71/275075671.db2.gz PZKSCXJVZZNGEA-CVEARBPZSA-N 2 1 302.466 2.398 10 0 DEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)C1 ZINC000249032409 276014021 /nfs/dbraw/zinc/01/40/21/276014021.db2.gz STNRJEWECLGBEN-IKGGRYGDSA-N 2 1 310.482 2.282 10 0 DEAEMP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000179338707 276282644 /nfs/dbraw/zinc/28/26/44/276282644.db2.gz XZKPBOPYTUYKHC-GVDBMIGSSA-N 2 1 303.450 2.278 10 0 DEAEMP CC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494471 277100435 /nfs/dbraw/zinc/10/04/35/277100435.db2.gz MAQOLAFSNRQDSE-MAUKXSAKSA-N 2 1 310.482 2.303 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000573445035 326058277 /nfs/dbraw/zinc/05/82/77/326058277.db2.gz NCWHIWBTOPHPSY-GOSISDBHSA-N 2 1 304.434 2.158 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000246245530 525432185 /nfs/dbraw/zinc/43/21/85/525432185.db2.gz JHXVMGJPGKAEQX-SPUZQDLCSA-N 2 1 315.461 2.283 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](CC)[NH+]2CCCC2)C12CCOCC2 ZINC000248921570 535501581 /nfs/dbraw/zinc/50/15/81/535501581.db2.gz FDZPCJXFDFZXEN-IXDOHACOSA-N 2 1 310.482 2.425 10 0 DEAEMP Cc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000382913663 685406343 /nfs/dbraw/zinc/40/63/43/685406343.db2.gz IRAPGQZTNFPMEO-OAHLLOKOSA-N 2 1 311.433 2.298 10 0 DEAEMP C[S@@](=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681750 793001324 /nfs/dbraw/zinc/00/13/24/793001324.db2.gz ZACDEFDZIVPLNM-VDNWNZSNSA-N 2 1 320.502 2.398 10 0 DEAEMP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734582 793005552 /nfs/dbraw/zinc/00/55/52/793005552.db2.gz WEPXOBXBVZCEEM-OWLYRPNTSA-N 2 1 315.461 2.154 10 0 DEAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300057506 799434849 /nfs/dbraw/zinc/43/48/49/799434849.db2.gz QAHPQGHZOQOQGZ-HUUCEWRRSA-N 2 1 311.470 2.317 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000401747425 801849080 /nfs/dbraw/zinc/84/90/80/801849080.db2.gz LDHKSNOITOODCU-ZBFHGGJFSA-N 2 1 323.481 2.483 10 0 DEAEMP CC[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000704653749 1086586136 /nfs/dbraw/zinc/58/61/36/1086586136.db2.gz BKFGXDMETBHKAJ-LSDHHAIUSA-N 2 1 311.470 2.458 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000710995320 1086692445 /nfs/dbraw/zinc/69/24/45/1086692445.db2.gz MHXNXDGKDGPPJZ-NXHRZFHOSA-N 2 1 318.461 2.496 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000710995320 1086692449 /nfs/dbraw/zinc/69/24/49/1086692449.db2.gz MHXNXDGKDGPPJZ-NXHRZFHOSA-N 2 1 318.461 2.496 10 0 DEAEMP C[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CCC(F)(F)F ZINC000088434651 185249924 /nfs/dbraw/zinc/24/99/24/185249924.db2.gz YSOKBXJDGZVZTG-CYBMUJFWSA-N 2 1 309.376 2.037 10 0 DEAEMP Brc1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000090320498 185290842 /nfs/dbraw/zinc/29/08/42/185290842.db2.gz JCZPGWQDDLHYIO-IJEWVQPXSA-N 2 1 321.262 2.458 10 0 DEAEMP C[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC000090438775 185296516 /nfs/dbraw/zinc/29/65/16/185296516.db2.gz KAFPWTDLBRROKE-TZMCWYRMSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000090438775 185296517 /nfs/dbraw/zinc/29/65/17/185296517.db2.gz KAFPWTDLBRROKE-TZMCWYRMSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000143850620 186034231 /nfs/dbraw/zinc/03/42/31/186034231.db2.gz FWXWMJXSIOFLRD-UHFFFAOYSA-N 2 1 316.449 2.450 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323589660 539906433 /nfs/dbraw/zinc/90/64/33/539906433.db2.gz FVBAGPSMCUBEAZ-ROUUACIJSA-N 2 1 315.461 2.096 10 0 DEAEMP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000398065387 540140367 /nfs/dbraw/zinc/14/03/67/540140367.db2.gz HLLNVASRKYBADY-GOEBONIOSA-N 2 1 301.434 2.037 10 0 DEAEMP C[N@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000169782034 355982553 /nfs/dbraw/zinc/98/25/53/355982553.db2.gz YLOKOCXQOHZESN-OAHLLOKOSA-N 2 1 308.853 2.476 10 0 DEAEMP C[N@@H+](CCCNC(=O)C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000309563927 356410253 /nfs/dbraw/zinc/41/02/53/356410253.db2.gz UNSSVCGFHOFOFQ-UHFFFAOYSA-N 2 1 303.450 2.142 10 0 DEAEMP CC(C)[NH2+]Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000092003648 193139511 /nfs/dbraw/zinc/13/95/11/193139511.db2.gz BOFIKTFKKJGGOI-CABCVRRESA-N 2 1 308.495 2.310 10 0 DEAEMP c1cc(OCCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc2c1OCO2 ZINC000631886509 368441052 /nfs/dbraw/zinc/44/10/52/368441052.db2.gz IGUBFAAKIQMPJT-GOEBONIOSA-N 2 1 318.417 2.258 10 0 DEAEMP COCC[NH2+]C[C@]1(C[N@@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982815 193191647 /nfs/dbraw/zinc/19/16/47/193191647.db2.gz NUFUXCGOXWORCI-WBVHZDCISA-N 2 1 300.487 2.122 10 0 DEAEMP Cc1cc(C)n2c(C[N@@H+](C)CC3CC[NH+](C)CC3)cnc2n1 ZINC000093088947 193201940 /nfs/dbraw/zinc/20/19/40/193201940.db2.gz QQDNFHCVVIWLHP-UHFFFAOYSA-N 2 1 301.438 2.120 10 0 DEAEMP CC[C@@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])CC[N@H+]1C ZINC000094334301 193360561 /nfs/dbraw/zinc/36/05/61/193360561.db2.gz VZOPEUBIPDCGRL-LLVKDONJSA-N 2 1 302.344 2.090 10 0 DEAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384689 193367721 /nfs/dbraw/zinc/36/77/21/193367721.db2.gz PXKVFXYKYOSCFZ-RBSFLKMASA-N 2 1 310.507 2.361 10 0 DEAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475267 182221400 /nfs/dbraw/zinc/22/14/00/182221400.db2.gz WLDBDLJSBUWYRO-NSHDSACASA-N 2 1 318.284 2.148 10 0 DEAEMP COc1c(Cl)cc(C[NH2+]CCC[NH2+]CCO)cc1Cl ZINC000020967765 182257154 /nfs/dbraw/zinc/25/71/54/182257154.db2.gz WZTVDSWJIXCKLT-UHFFFAOYSA-N 2 1 307.221 2.064 10 0 DEAEMP [NH3+]Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000041139087 183172017 /nfs/dbraw/zinc/17/20/17/183172017.db2.gz KAFHJEPTYVWLKT-UHFFFAOYSA-N 2 1 309.413 2.103 10 0 DEAEMP CC[N@H+](CCOc1cccc(Br)c1)CCC(N)=[NH2+] ZINC000042452859 183271736 /nfs/dbraw/zinc/27/17/36/183271736.db2.gz PTGVLLDLGOCSPZ-UHFFFAOYSA-N 2 1 314.227 2.476 10 0 DEAEMP CC[N@@H+](CCOc1cccc(Br)c1)CCC(N)=[NH2+] ZINC000042452859 183271738 /nfs/dbraw/zinc/27/17/38/183271738.db2.gz PTGVLLDLGOCSPZ-UHFFFAOYSA-N 2 1 314.227 2.476 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000285233533 218343608 /nfs/dbraw/zinc/34/36/08/218343608.db2.gz KSPNGPIEUXMNCM-MRXNPFEDSA-N 2 1 309.373 2.144 10 0 DEAEMP COC[C@@H](O)C[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000060355456 184146822 /nfs/dbraw/zinc/14/68/22/184146822.db2.gz CIBVWZCHPCYKFP-HNNXBMFYSA-N 2 1 300.487 2.264 10 0 DEAEMP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114125 /nfs/dbraw/zinc/11/41/25/257114125.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114126 /nfs/dbraw/zinc/11/41/26/257114126.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114127 /nfs/dbraw/zinc/11/41/27/257114127.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114128 /nfs/dbraw/zinc/11/41/28/257114128.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 2 1 301.434 2.014 10 0 DEAEMP CC[C@@H](CSC)[N@@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000124956179 195697849 /nfs/dbraw/zinc/69/78/49/195697849.db2.gz YOONBQNIYDMVLN-AWEZNQCLSA-N 2 1 313.515 2.240 10 0 DEAEMP c1cn(CCC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cn1 ZINC000361990029 133203848 /nfs/dbraw/zinc/20/38/48/133203848.db2.gz ZLUSWLSPXMMRTB-QGZVFWFLSA-N 2 1 301.390 2.053 10 0 DEAEMP c1cn(CCC[N@H+]2CCO[C@@H](COc3ccccc3)C2)cn1 ZINC000361990029 133203849 /nfs/dbraw/zinc/20/38/49/133203849.db2.gz ZLUSWLSPXMMRTB-QGZVFWFLSA-N 2 1 301.390 2.053 10 0 DEAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000368445452 133273462 /nfs/dbraw/zinc/27/34/62/133273462.db2.gz GVHKFUJHDBYTCN-KRWDZBQOSA-N 2 1 307.438 2.242 10 0 DEAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000368445452 133273463 /nfs/dbraw/zinc/27/34/63/133273463.db2.gz GVHKFUJHDBYTCN-KRWDZBQOSA-N 2 1 307.438 2.242 10 0 DEAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3COCCO3)CC23CC3)cc1 ZINC000564958429 292123363 /nfs/dbraw/zinc/12/33/63/292123363.db2.gz HXNBOZCRMHSUAF-QZTJIDSGSA-N 2 1 316.445 2.189 10 0 DEAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3COCCO3)CC23CC3)cc1 ZINC000564958429 292123366 /nfs/dbraw/zinc/12/33/66/292123366.db2.gz HXNBOZCRMHSUAF-QZTJIDSGSA-N 2 1 316.445 2.189 10 0 DEAEMP CCCOc1ccc(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193644988 145089095 /nfs/dbraw/zinc/08/90/95/145089095.db2.gz NAYZGGMFNYLWTH-IYBDPMFKSA-N 2 1 304.434 2.348 10 0 DEAEMP CCCOc1ccc(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193644988 145089096 /nfs/dbraw/zinc/08/90/96/145089096.db2.gz NAYZGGMFNYLWTH-IYBDPMFKSA-N 2 1 304.434 2.348 10 0 DEAEMP CCCOc1ccc(OCC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193644988 145089098 /nfs/dbraw/zinc/08/90/98/145089098.db2.gz NAYZGGMFNYLWTH-IYBDPMFKSA-N 2 1 304.434 2.348 10 0 DEAEMP CCCOc1ccc(OCC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193644988 145089099 /nfs/dbraw/zinc/08/90/99/145089099.db2.gz NAYZGGMFNYLWTH-IYBDPMFKSA-N 2 1 304.434 2.348 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2c3ccccc3NC2=O)[C@@H](C)C1 ZINC000246394837 145101654 /nfs/dbraw/zinc/10/16/54/145101654.db2.gz LDVCUEWDZCICMF-BPUTZDHNSA-N 2 1 301.434 2.432 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCOC3=O)C2)[nH+]1 ZINC000247008958 145122702 /nfs/dbraw/zinc/12/27/02/145122702.db2.gz RTUAEUYUBRRFRT-GJZGRUSLSA-N 2 1 303.406 2.077 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCOC3=O)C2)[nH+]1 ZINC000247008958 145122704 /nfs/dbraw/zinc/12/27/04/145122704.db2.gz RTUAEUYUBRRFRT-GJZGRUSLSA-N 2 1 303.406 2.077 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCOC3=O)C2)[nH+]1 ZINC000247008949 145123236 /nfs/dbraw/zinc/12/32/36/145123236.db2.gz RTUAEUYUBRRFRT-CABCVRRESA-N 2 1 303.406 2.077 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCOC3=O)C2)[nH+]1 ZINC000247008949 145123237 /nfs/dbraw/zinc/12/32/37/145123237.db2.gz RTUAEUYUBRRFRT-CABCVRRESA-N 2 1 303.406 2.077 10 0 DEAEMP C[C@@H](CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248489743 145156663 /nfs/dbraw/zinc/15/66/63/145156663.db2.gz NDQOWBKCVSXMAH-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP CC1(C)C[N@@H+](CCC(=O)N2CCc3ccccc32)CC[C@H]1[NH3+] ZINC000261678495 145216195 /nfs/dbraw/zinc/21/61/95/145216195.db2.gz GUVOXGPJAAZDPF-MRXNPFEDSA-N 2 1 301.434 2.025 10 0 DEAEMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000261793309 145227383 /nfs/dbraw/zinc/22/73/83/145227383.db2.gz UDPUEEXSPMUJJQ-INIZCTEOSA-N 2 1 323.387 2.367 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261930924 145243248 /nfs/dbraw/zinc/24/32/48/145243248.db2.gz LRSOFNUCDBZMPP-VDHUWJSZSA-N 2 1 316.445 2.299 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C12CCC2 ZINC000261958366 145247224 /nfs/dbraw/zinc/24/72/24/145247224.db2.gz PFIWJUZMMVREIE-BQJWPVKWSA-N 2 1 308.466 2.081 10 0 DEAEMP Fc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1F ZINC000261966143 145247794 /nfs/dbraw/zinc/24/77/94/145247794.db2.gz QBNBAMBMIMWEBT-FVQBIDKESA-N 2 1 310.388 2.254 10 0 DEAEMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146684 145266136 /nfs/dbraw/zinc/26/61/36/145266136.db2.gz ZPBUTRLPPVOUSN-QAPCUYQASA-N 2 1 316.449 2.040 10 0 DEAEMP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[N@H+]1CCCC[C@@H]1C ZINC000262438493 145284606 /nfs/dbraw/zinc/28/46/06/145284606.db2.gz UOQBEJPMOYKWRI-NBOOPKSLSA-N 2 1 307.482 2.145 10 0 DEAEMP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000262524334 145289856 /nfs/dbraw/zinc/28/98/56/145289856.db2.gz FYXMTPWZNDVDTC-JKSUJKDBSA-N 2 1 321.852 2.201 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000262524334 145289859 /nfs/dbraw/zinc/28/98/59/145289859.db2.gz FYXMTPWZNDVDTC-JKSUJKDBSA-N 2 1 321.852 2.201 10 0 DEAEMP COC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000358430351 147132801 /nfs/dbraw/zinc/13/28/01/147132801.db2.gz GYYUHHBOABTXMX-XVLXNVKGSA-N 2 1 318.461 2.433 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000111847455 401725971 /nfs/dbraw/zinc/72/59/71/401725971.db2.gz GAMXSGDPFQQLFQ-KRWDZBQOSA-N 2 1 324.513 2.282 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000127565348 401740578 /nfs/dbraw/zinc/74/05/78/401740578.db2.gz JHGJCWURZSQCDH-DJIMGWMZSA-N 2 1 303.450 2.230 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000127565348 401740579 /nfs/dbraw/zinc/74/05/79/401740579.db2.gz JHGJCWURZSQCDH-DJIMGWMZSA-N 2 1 303.450 2.230 10 0 DEAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000119180079 401931644 /nfs/dbraw/zinc/93/16/44/401931644.db2.gz NEZSLQLMLJABJV-LJQANCHMSA-N 2 1 323.525 2.294 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119600395 401961535 /nfs/dbraw/zinc/96/15/35/401961535.db2.gz FAOODDOUAIZTAW-LSDHHAIUSA-N 2 1 312.502 2.088 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000123244934 402117612 /nfs/dbraw/zinc/11/76/12/402117612.db2.gz YYUSDMJJOANNJV-WMLDXEAASA-N 2 1 303.450 2.303 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123608606 402137688 /nfs/dbraw/zinc/13/76/88/402137688.db2.gz ABARQJLBKWJTRM-DOTOQJQBSA-N 2 1 324.513 2.136 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878108 402236967 /nfs/dbraw/zinc/23/69/67/402236967.db2.gz CRTALKUFTSYMPK-WBVHZDCISA-N 2 1 305.466 2.353 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000158332251 402304364 /nfs/dbraw/zinc/30/43/64/402304364.db2.gz RCEDYLCIHRZSPW-ZBFHGGJFSA-N 2 1 324.513 2.277 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000176971184 402355474 /nfs/dbraw/zinc/35/54/74/402355474.db2.gz JBWAIKJSYXCXRX-QGZVFWFLSA-N 2 1 303.450 2.305 10 0 DEAEMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(C)cc1 ZINC000177325399 402391575 /nfs/dbraw/zinc/39/15/75/402391575.db2.gz WLMOZIJZODWMBC-SQNIBIBYSA-N 2 1 318.461 2.293 10 0 DEAEMP C[N@@H+](CCN1CC[C@@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000245409581 402456875 /nfs/dbraw/zinc/45/68/75/402456875.db2.gz MZIYVGVJYZVTBS-GOSISDBHSA-N 2 1 305.441 2.428 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1[C@H](C)C(=O)Nc1nccs1 ZINC000245952359 402500011 /nfs/dbraw/zinc/50/00/11/402500011.db2.gz PNYOZPBOEDZGAN-YPMHNXCESA-N 2 1 319.434 2.140 10 0 DEAEMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000245965694 402500623 /nfs/dbraw/zinc/50/06/23/402500623.db2.gz DOVRFYNOYUFVER-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000245965694 402500626 /nfs/dbraw/zinc/50/06/26/402500626.db2.gz DOVRFYNOYUFVER-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000245965694 402500630 /nfs/dbraw/zinc/50/06/30/402500630.db2.gz DOVRFYNOYUFVER-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000246988327 402552252 /nfs/dbraw/zinc/55/22/52/402552252.db2.gz GLXZCJPVNLARBO-BRWVUGGUSA-N 2 1 324.513 2.136 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000246191171 402517369 /nfs/dbraw/zinc/51/73/69/402517369.db2.gz MKUKQTHRXAMIHE-WBVHZDCISA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000246191171 402517371 /nfs/dbraw/zinc/51/73/71/402517371.db2.gz MKUKQTHRXAMIHE-WBVHZDCISA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000246191171 402517374 /nfs/dbraw/zinc/51/73/74/402517374.db2.gz MKUKQTHRXAMIHE-WBVHZDCISA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000246606334 402537954 /nfs/dbraw/zinc/53/79/54/402537954.db2.gz QZMBZRNJGQCRPE-GVDBMIGSSA-N 2 1 307.482 2.336 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000171589063 402598540 /nfs/dbraw/zinc/59/85/40/402598540.db2.gz YYWQQIQDCJMRMH-ZDUSSCGKSA-N 2 1 312.404 2.489 10 0 DEAEMP CCC[C@@H](C)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000180089862 402606945 /nfs/dbraw/zinc/60/69/45/402606945.db2.gz WQMJBMTYURUQPX-QZTJIDSGSA-N 2 1 311.514 2.149 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000171865611 402629825 /nfs/dbraw/zinc/62/98/25/402629825.db2.gz DKDKSSCQDFJUDL-QAPCUYQASA-N 2 1 315.461 2.034 10 0 DEAEMP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000171865611 402629826 /nfs/dbraw/zinc/62/98/26/402629826.db2.gz DKDKSSCQDFJUDL-QAPCUYQASA-N 2 1 315.461 2.034 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000171865611 402629827 /nfs/dbraw/zinc/62/98/27/402629827.db2.gz DKDKSSCQDFJUDL-QAPCUYQASA-N 2 1 315.461 2.034 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000171865611 402629831 /nfs/dbraw/zinc/62/98/31/402629831.db2.gz DKDKSSCQDFJUDL-QAPCUYQASA-N 2 1 315.461 2.034 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249762904 402641125 /nfs/dbraw/zinc/64/11/25/402641125.db2.gz YSIBQJRRQRJERC-HZPDHXFCSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249762904 402641127 /nfs/dbraw/zinc/64/11/27/402641127.db2.gz YSIBQJRRQRJERC-HZPDHXFCSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249762904 402641129 /nfs/dbraw/zinc/64/11/29/402641129.db2.gz YSIBQJRRQRJERC-HZPDHXFCSA-N 2 1 324.513 2.280 10 0 DEAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250145300 402645599 /nfs/dbraw/zinc/64/55/99/402645599.db2.gz ZSBNUIDLZVMNGN-NJAFHUGGSA-N 2 1 315.461 2.013 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000192768935 402748816 /nfs/dbraw/zinc/74/88/16/402748816.db2.gz SJLCEJDHRXWHAP-SFHVURJKSA-N 2 1 319.497 2.353 10 0 DEAEMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1nccs1 ZINC000192777985 402749533 /nfs/dbraw/zinc/74/95/33/402749533.db2.gz RIMPAZXQIJSUJP-UHFFFAOYSA-N 2 1 324.538 2.424 10 0 DEAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306810 402757049 /nfs/dbraw/zinc/75/70/49/402757049.db2.gz XZKDYBWBZSBJHG-KDOFPFPSSA-N 2 1 316.376 2.288 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000183854492 402801823 /nfs/dbraw/zinc/80/18/23/402801823.db2.gz WMFWMYLSLAIQOG-UHFFFAOYSA-N 2 1 316.449 2.284 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827126 /nfs/dbraw/zinc/82/71/26/402827126.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 2 1 313.449 2.429 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827128 /nfs/dbraw/zinc/82/71/28/402827128.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 2 1 313.449 2.429 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827130 /nfs/dbraw/zinc/82/71/30/402827130.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 2 1 313.449 2.429 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827133 /nfs/dbraw/zinc/82/71/33/402827133.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 3 1 313.449 2.429 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827136 /nfs/dbraw/zinc/82/71/36/402827136.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 3 1 313.449 2.429 10 0 DEAEMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309768048 403963165 /nfs/dbraw/zinc/96/31/65/403963165.db2.gz ZYBXZFIHHHIHIJ-MSOLQXFVSA-N 2 1 315.461 2.014 10 0 DEAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323788783 404094669 /nfs/dbraw/zinc/09/46/69/404094669.db2.gz GBPZCGNWYFVSPV-SFHVURJKSA-N 2 1 315.461 2.111 10 0 DEAEMP C[C@H](CC[NH2+]C[C@@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647581 405028233 /nfs/dbraw/zinc/02/82/33/405028233.db2.gz KQYNTJJDIKIYNK-TZMCWYRMSA-N 2 1 304.356 2.410 10 0 DEAEMP C[C@H](CC[NH2+]C[C@@H](O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379647581 405028239 /nfs/dbraw/zinc/02/82/39/405028239.db2.gz KQYNTJJDIKIYNK-TZMCWYRMSA-N 2 1 304.356 2.410 10 0 DEAEMP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361487896 405096121 /nfs/dbraw/zinc/09/61/21/405096121.db2.gz WRBQLEHPHMZJDR-NEWSRXKRSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396358782 405057281 /nfs/dbraw/zinc/05/72/81/405057281.db2.gz IDOATYQVOPAMJR-WBVHZDCISA-N 2 1 303.450 2.093 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396358782 405057285 /nfs/dbraw/zinc/05/72/85/405057285.db2.gz IDOATYQVOPAMJR-WBVHZDCISA-N 2 1 303.450 2.093 10 0 DEAEMP [NH3+]C1(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000638850771 405713657 /nfs/dbraw/zinc/71/36/57/405713657.db2.gz HHXOJWKCTGTNPT-KRWDZBQOSA-N 2 1 315.461 2.429 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638111671 406574978 /nfs/dbraw/zinc/57/49/78/406574978.db2.gz PENDMGSAMUNQHE-WMZOPIPTSA-N 2 1 313.445 2.014 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638119769 406581064 /nfs/dbraw/zinc/58/10/64/406581064.db2.gz VTAQFYFIKLUILD-FHLIZLRMSA-N 2 1 313.445 2.061 10 0 DEAEMP C[C@H](CC[S@@](C)=O)[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000129860140 196081043 /nfs/dbraw/zinc/08/10/43/196081043.db2.gz ZZRRDZOOFLJNFR-IIMJZQEZSA-N 2 1 300.512 2.388 10 0 DEAEMP C[C@H](CC[S@@](C)=O)[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000129860140 196081045 /nfs/dbraw/zinc/08/10/45/196081045.db2.gz ZZRRDZOOFLJNFR-IIMJZQEZSA-N 2 1 300.512 2.388 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000130647794 196098631 /nfs/dbraw/zinc/09/86/31/196098631.db2.gz NGIPVXRYSSXEDV-CQSZACIVSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000130647794 196098633 /nfs/dbraw/zinc/09/86/33/196098633.db2.gz NGIPVXRYSSXEDV-CQSZACIVSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303208612 424892711 /nfs/dbraw/zinc/89/27/11/424892711.db2.gz XQQUKJDWEHMDID-KSZLIROESA-N 2 1 315.461 2.142 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303208615 424892762 /nfs/dbraw/zinc/89/27/62/424892762.db2.gz XQQUKJDWEHMDID-RCCFBDPRSA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333907048 269003731 /nfs/dbraw/zinc/00/37/31/269003731.db2.gz CZJFXFGGGALMBH-XHSDSOJGSA-N 2 1 324.513 2.184 10 0 DEAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000262013183 275067799 /nfs/dbraw/zinc/06/77/99/275067799.db2.gz VSWIUBGRCJMOJT-JCHJZTRSSA-N 2 1 315.461 2.012 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703232 275391838 /nfs/dbraw/zinc/39/18/38/275391838.db2.gz GLJQHRCFRKYCHN-MKXGPGLRSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000343703232 275391839 /nfs/dbraw/zinc/39/18/39/275391839.db2.gz GLJQHRCFRKYCHN-MKXGPGLRSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000343703232 275391840 /nfs/dbraw/zinc/39/18/40/275391840.db2.gz GLJQHRCFRKYCHN-MKXGPGLRSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@H]2COCC[C@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703236 275392130 /nfs/dbraw/zinc/39/21/30/275392130.db2.gz GLJQHRCFRKYCHN-SEXKYXSUSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000343703236 275392131 /nfs/dbraw/zinc/39/21/31/275392131.db2.gz GLJQHRCFRKYCHN-SEXKYXSUSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000343703236 275392132 /nfs/dbraw/zinc/39/21/32/275392132.db2.gz GLJQHRCFRKYCHN-SEXKYXSUSA-N 2 1 322.493 2.378 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246563116 279125742 /nfs/dbraw/zinc/12/57/42/279125742.db2.gz BKWAJRGGNLISKM-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000176249553 279298225 /nfs/dbraw/zinc/29/82/25/279298225.db2.gz XLEDEDHAVDVVMZ-IAGOWNOFSA-N 2 1 324.513 2.234 10 0 DEAEMP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388498862 333316939 /nfs/dbraw/zinc/31/69/39/333316939.db2.gz NMZZKNZJWHAGJY-HKUYNNGSSA-N 2 1 315.461 2.252 10 0 DEAEMP CC(C)CCOCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105915420 519665299 /nfs/dbraw/zinc/66/52/99/519665299.db2.gz FAPWEAUKXOAGQA-INIZCTEOSA-N 2 1 300.487 2.074 10 0 DEAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000249877662 524531721 /nfs/dbraw/zinc/53/17/21/524531721.db2.gz HDPKCJIKGKIFGU-KBAYOESNSA-N 2 1 315.461 2.155 10 0 DEAEMP CCCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195216787 528626368 /nfs/dbraw/zinc/62/63/68/528626368.db2.gz NSSZJYTYKRQZCS-JFIYKMOQSA-N 2 1 312.498 2.407 10 0 DEAEMP CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261846860 535512906 /nfs/dbraw/zinc/51/29/06/535512906.db2.gz AWXOGMZQMRMVCR-BRWVUGGUSA-N 2 1 304.434 2.332 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000358300022 535527036 /nfs/dbraw/zinc/52/70/36/535527036.db2.gz NFXJECUFCKCNFP-RKVPGOIHSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC000358300022 535527041 /nfs/dbraw/zinc/52/70/41/535527041.db2.gz NFXJECUFCKCNFP-RKVPGOIHSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC000358300022 535527046 /nfs/dbraw/zinc/52/70/46/535527046.db2.gz NFXJECUFCKCNFP-RKVPGOIHSA-N 2 1 322.497 2.376 10 0 DEAEMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000232500655 635930537 /nfs/dbraw/zinc/93/05/37/635930537.db2.gz QAKCTPJXOUDRGP-GOEBONIOSA-N 2 1 323.481 2.460 10 0 DEAEMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399495 647473559 /nfs/dbraw/zinc/47/35/59/647473559.db2.gz KTPGSOYGSOWMBY-WMZOPIPTSA-N 2 1 320.477 2.405 10 0 DEAEMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399495 647473562 /nfs/dbraw/zinc/47/35/62/647473562.db2.gz KTPGSOYGSOWMBY-WMZOPIPTSA-N 2 1 320.477 2.405 10 0 DEAEMP Nc1cnc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000383747718 685408540 /nfs/dbraw/zinc/40/85/40/685408540.db2.gz JJAGYIJDRZFQNW-DLBZAZTESA-N 2 1 323.444 2.013 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000176073422 684332626 /nfs/dbraw/zinc/33/26/26/684332626.db2.gz BBZAVMCIXNCGMS-CQSZACIVSA-N 2 1 304.438 2.260 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000176073422 684332630 /nfs/dbraw/zinc/33/26/30/684332630.db2.gz BBZAVMCIXNCGMS-CQSZACIVSA-N 2 1 304.438 2.260 10 0 DEAEMP Cc1cc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(N)[nH+]1 ZINC000398134334 790248789 /nfs/dbraw/zinc/24/87/89/790248789.db2.gz UKGYQVLPGOLXIT-INIZCTEOSA-N 2 1 313.449 2.188 10 0 DEAEMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713005414 792211633 /nfs/dbraw/zinc/21/16/33/792211633.db2.gz UAXYWJYZMXDZCX-DLBZAZTESA-N 2 1 317.477 2.387 10 0 DEAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1noc2c1CCCC2 ZINC000162191382 539596440 /nfs/dbraw/zinc/59/64/40/539596440.db2.gz WYGNFSONPBKDSM-UHFFFAOYSA-N 2 1 320.481 2.011 10 0 DEAEMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1noc2c1CCCC2 ZINC000162191382 539596443 /nfs/dbraw/zinc/59/64/43/539596443.db2.gz WYGNFSONPBKDSM-UHFFFAOYSA-N 2 1 320.481 2.011 10 0 DEAEMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000192950955 539710824 /nfs/dbraw/zinc/71/08/24/539710824.db2.gz RGHGYTBQHSRBPK-CQSZACIVSA-N 2 1 324.440 2.359 10 0 DEAEMP C[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147733873 186041344 /nfs/dbraw/zinc/04/13/44/186041344.db2.gz HXNDIJITFTYKML-SSDMNJCBSA-N 2 1 308.447 2.107 10 0 DEAEMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147733873 186041346 /nfs/dbraw/zinc/04/13/46/186041346.db2.gz HXNDIJITFTYKML-SSDMNJCBSA-N 2 1 308.447 2.107 10 0 DEAEMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000175710097 186191115 /nfs/dbraw/zinc/19/11/15/186191115.db2.gz IDIZBRQDVWRLBI-ZDUSSCGKSA-N 2 1 315.417 2.318 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901096 198004221 /nfs/dbraw/zinc/00/42/21/198004221.db2.gz HPXYSNKMMVOSFJ-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901096 198004223 /nfs/dbraw/zinc/00/42/23/198004223.db2.gz HPXYSNKMMVOSFJ-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901096 198004224 /nfs/dbraw/zinc/00/42/24/198004224.db2.gz HPXYSNKMMVOSFJ-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccccc1 ZINC000333523206 539962236 /nfs/dbraw/zinc/96/22/36/539962236.db2.gz GXEQXQMKQKFJQI-GQGLESIBSA-N 2 1 316.449 2.001 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333551950 539963237 /nfs/dbraw/zinc/96/32/37/539963237.db2.gz KIEYWMRMYUZQIE-VVLHAWIVSA-N 2 1 316.449 2.001 10 0 DEAEMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)C[NH3+] ZINC000404312073 540145187 /nfs/dbraw/zinc/14/51/87/540145187.db2.gz LXFCGJSHCVOSFX-HRCADAONSA-N 2 1 317.477 2.481 10 0 DEAEMP [NH3+]C1(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000398050484 540140313 /nfs/dbraw/zinc/14/03/13/540140313.db2.gz WCVYPVIKWVAMQC-MRXNPFEDSA-N 2 1 301.434 2.039 10 0 DEAEMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169782452 355982952 /nfs/dbraw/zinc/98/29/52/355982952.db2.gz PXEHMTPIWKOYIQ-QGZVFWFLSA-N 2 1 315.461 2.140 10 0 DEAEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000536036051 540241141 /nfs/dbraw/zinc/24/11/41/540241141.db2.gz PZANPNWSEXRRQF-DLBZAZTESA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000536036051 540241143 /nfs/dbraw/zinc/24/11/43/540241143.db2.gz PZANPNWSEXRRQF-DLBZAZTESA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536036051 540241145 /nfs/dbraw/zinc/24/11/45/540241145.db2.gz PZANPNWSEXRRQF-DLBZAZTESA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536036051 540241146 /nfs/dbraw/zinc/24/11/46/540241146.db2.gz PZANPNWSEXRRQF-DLBZAZTESA-N 2 1 301.434 2.164 10 0 DEAEMP CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721649 193097286 /nfs/dbraw/zinc/09/72/86/193097286.db2.gz IAXCGGRTGUQNSN-BMFZPTHFSA-N 2 1 309.841 2.119 10 0 DEAEMP CC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721649 193097288 /nfs/dbraw/zinc/09/72/88/193097288.db2.gz IAXCGGRTGUQNSN-BMFZPTHFSA-N 2 1 309.841 2.119 10 0 DEAEMP C[C@]1(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901773 291380843 /nfs/dbraw/zinc/38/08/43/291380843.db2.gz WGFZUQNITZPHHK-YJBOKZPZSA-N 2 1 317.481 2.184 10 0 DEAEMP CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756552 193301103 /nfs/dbraw/zinc/30/11/03/193301103.db2.gz RZTXPYGJWGORKE-WCQYABFASA-N 2 1 309.376 2.035 10 0 DEAEMP CC(C)[NH2+][C@]1(C(N)=O)CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756552 193301105 /nfs/dbraw/zinc/30/11/05/193301105.db2.gz RZTXPYGJWGORKE-WCQYABFASA-N 2 1 309.376 2.035 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]([N@@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783251 193307479 /nfs/dbraw/zinc/30/74/79/193307479.db2.gz NUMVCWHNHSDDDU-GVDBMIGSSA-N 2 1 300.487 2.407 10 0 DEAEMP CC[NH2+][C@H]1[C@H](C[N@@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317436 193359865 /nfs/dbraw/zinc/35/98/65/193359865.db2.gz VJTSVEOXUXTEPZ-HOTGVXAUSA-N 2 1 300.487 2.386 10 0 DEAEMP CC[C@@H](N)[C@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248755 183347343 /nfs/dbraw/zinc/34/73/43/183347343.db2.gz MGTYBGLRYSDMCE-UKRRQHHQSA-N 2 1 309.479 2.422 10 0 DEAEMP CC[C@@H]1CN(c2cc(Br)ccc2C[NH3+])CC[N@H+]1C ZINC000110730703 194354641 /nfs/dbraw/zinc/35/46/41/194354641.db2.gz HVYMNMPSSCLVLN-CYBMUJFWSA-N 2 1 312.255 2.438 10 0 DEAEMP CC[N@H+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)C[C@@H]1C ZINC000110708793 194352977 /nfs/dbraw/zinc/35/29/77/194352977.db2.gz QRVOJEKQPXNBQW-HZMBPMFUSA-N 2 1 301.356 2.130 10 0 DEAEMP Cc1cc(C)c(C(N)=S)c(NC[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000062080410 184205068 /nfs/dbraw/zinc/20/50/68/184205068.db2.gz OJUDAFBPMJCKNT-NSHDSACASA-N 2 1 306.479 2.476 10 0 DEAEMP COC(=O)[C@](C)(CCC[N@H+](C)CCOC(C)C)[NH2+]C(C)C ZINC000157525061 197193573 /nfs/dbraw/zinc/19/35/73/197193573.db2.gz QNLPYJFNRCIUQA-INIZCTEOSA-N 2 1 302.459 2.053 10 0 DEAEMP COC(=O)[C@](C)(CCC[N@@H+](C)CCOC(C)C)[NH2+]C(C)C ZINC000157525061 197193575 /nfs/dbraw/zinc/19/35/75/197193575.db2.gz QNLPYJFNRCIUQA-INIZCTEOSA-N 2 1 302.459 2.053 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000245475262 285236250 /nfs/dbraw/zinc/23/62/50/285236250.db2.gz RTBYDEDWFBIQTL-GVDBMIGSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000245475262 285236253 /nfs/dbraw/zinc/23/62/53/285236253.db2.gz RTBYDEDWFBIQTL-GVDBMIGSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000245475262 285236255 /nfs/dbraw/zinc/23/62/55/285236255.db2.gz RTBYDEDWFBIQTL-GVDBMIGSSA-N 2 1 324.513 2.233 10 0 DEAEMP c1ccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000563270917 292043201 /nfs/dbraw/zinc/04/32/01/292043201.db2.gz FVFMDZLHQIFXSM-UHFFFAOYSA-N 2 1 322.456 2.045 10 0 DEAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3COCCO3)CC23CC3)cc1 ZINC000564958423 292123284 /nfs/dbraw/zinc/12/32/84/292123284.db2.gz HXNBOZCRMHSUAF-MSOLQXFVSA-N 2 1 316.445 2.189 10 0 DEAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3COCCO3)CC23CC3)cc1 ZINC000564958423 292123285 /nfs/dbraw/zinc/12/32/85/292123285.db2.gz HXNBOZCRMHSUAF-MSOLQXFVSA-N 2 1 316.445 2.189 10 0 DEAEMP O=C(NC1CC[NH+](CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000193461677 145086546 /nfs/dbraw/zinc/08/65/46/145086546.db2.gz ANLFTPOFGXWZQF-UHFFFAOYSA-N 2 1 315.461 2.367 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)[C@@H](C)C1 ZINC000245443001 145092898 /nfs/dbraw/zinc/09/28/98/145092898.db2.gz WTOVGOSHWZTDNP-LESCRADOSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)[C@@H](C)C1 ZINC000245443001 145092900 /nfs/dbraw/zinc/09/29/00/145092900.db2.gz WTOVGOSHWZTDNP-LESCRADOSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)[C@@H](C)C1 ZINC000245443001 145092901 /nfs/dbraw/zinc/09/29/01/145092901.db2.gz WTOVGOSHWZTDNP-LESCRADOSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000246148808 145093353 /nfs/dbraw/zinc/09/33/53/145093353.db2.gz KBRMEWVKZDRGOZ-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246972933 145120905 /nfs/dbraw/zinc/12/09/05/145120905.db2.gz VNRAXAJPBIGDCT-FUHWJXTLSA-N 2 1 313.445 2.234 10 0 DEAEMP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246972933 145120908 /nfs/dbraw/zinc/12/09/08/145120908.db2.gz VNRAXAJPBIGDCT-FUHWJXTLSA-N 2 1 313.445 2.234 10 0 DEAEMP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246972933 145120911 /nfs/dbraw/zinc/12/09/11/145120911.db2.gz VNRAXAJPBIGDCT-FUHWJXTLSA-N 2 1 313.445 2.234 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@H]2C1 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145254294 /nfs/dbraw/zinc/25/42/94/145254294.db2.gz XECILDNLGXITGR-RBSFLKMASA-N 2 1 309.479 2.049 10 0 DEAEMP C[C@]1(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085368 145260864 /nfs/dbraw/zinc/26/08/64/145260864.db2.gz UGRKNFZUWSIEQX-RDJZCZTQSA-N 2 1 320.412 2.021 10 0 DEAEMP C[C@]1(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085368 145260868 /nfs/dbraw/zinc/26/08/68/145260868.db2.gz UGRKNFZUWSIEQX-RDJZCZTQSA-N 2 1 320.412 2.021 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073654654 401720156 /nfs/dbraw/zinc/72/01/56/401720156.db2.gz KMQFDLIMKLCUAC-CVEARBPZSA-N 2 1 312.502 2.233 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113614195 401784066 /nfs/dbraw/zinc/78/40/66/401784066.db2.gz NSNRCUDLSHITHR-IRXDYDNUSA-N 2 1 324.513 2.377 10 0 DEAEMP COc1cccc([C@H](C)[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000079464399 401873233 /nfs/dbraw/zinc/87/32/33/401873233.db2.gz JRFGCHLHSHTJFO-JKSUJKDBSA-N 2 1 304.434 2.410 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152374083 402092532 /nfs/dbraw/zinc/09/25/32/402092532.db2.gz HRGUUVRGYQXOKK-YESZJQIVSA-N 2 1 324.513 2.231 10 0 DEAEMP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123320938 402121742 /nfs/dbraw/zinc/12/17/42/402121742.db2.gz PAVPYNGEIOJNPP-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123320938 402121745 /nfs/dbraw/zinc/12/17/45/402121745.db2.gz PAVPYNGEIOJNPP-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123320938 402121747 /nfs/dbraw/zinc/12/17/47/402121747.db2.gz PAVPYNGEIOJNPP-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123320938 402121750 /nfs/dbraw/zinc/12/17/50/402121750.db2.gz PAVPYNGEIOJNPP-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1C1CC1 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CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000247007199 402552597 /nfs/dbraw/zinc/55/25/97/402552597.db2.gz LGCGZIGLWMQBIB-SUMWQHHRSA-N 2 1 315.465 2.439 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000247007199 402552601 /nfs/dbraw/zinc/55/26/01/402552601.db2.gz LGCGZIGLWMQBIB-SUMWQHHRSA-N 2 1 315.465 2.439 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000247007199 402552603 /nfs/dbraw/zinc/55/26/03/402552603.db2.gz LGCGZIGLWMQBIB-SUMWQHHRSA-N 2 1 315.465 2.439 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)[C@@H](C)C1 ZINC000247007199 402552607 /nfs/dbraw/zinc/55/26/07/402552607.db2.gz LGCGZIGLWMQBIB-SUMWQHHRSA-N 2 1 315.465 2.439 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246430120 402530736 /nfs/dbraw/zinc/53/07/36/402530736.db2.gz MMQVOXOCYXAJFU-DOTOQJQBSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 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CCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194960075 402824469 /nfs/dbraw/zinc/82/44/69/402824469.db2.gz UARUWUSRMQAZMY-INIZCTEOSA-N 2 1 310.486 2.034 10 0 DEAEMP Cn1c2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2sc1=O ZINC000195007069 402826299 /nfs/dbraw/zinc/82/62/99/402826299.db2.gz XFIVQOFUYCWFQR-UHFFFAOYSA-N 2 1 319.474 2.374 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C12CCOCC2 ZINC000249060716 286398730 /nfs/dbraw/zinc/39/87/30/286398730.db2.gz YLJMOLBRIIAEDN-VVLHAWIVSA-N 2 1 310.482 2.281 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414857271 404750118 /nfs/dbraw/zinc/75/01/18/404750118.db2.gz CHYDDTBYXMVUER-KZNAEPCWSA-N 2 1 302.466 2.072 10 0 DEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788658 405063445 /nfs/dbraw/zinc/06/34/45/405063445.db2.gz RIMICKDSYNKHRL-FAJAVTLNSA-N 3 1 313.489 2.485 10 0 DEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788658 405063449 /nfs/dbraw/zinc/06/34/49/405063449.db2.gz RIMICKDSYNKHRL-FAJAVTLNSA-N 2 1 313.489 2.485 10 0 DEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788658 405063451 /nfs/dbraw/zinc/06/34/51/405063451.db2.gz RIMICKDSYNKHRL-FAJAVTLNSA-N 2 1 313.489 2.485 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836165 405704152 /nfs/dbraw/zinc/70/41/52/405704152.db2.gz QXYDUWYRZNTNQW-BPQIPLTHSA-N 2 1 317.477 2.244 10 0 DEAEMP [NH3+]C1(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000638850782 405713516 /nfs/dbraw/zinc/71/35/16/405713516.db2.gz HHXOJWKCTGTNPT-QGZVFWFLSA-N 2 1 315.461 2.429 10 0 DEAEMP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000639474504 406105617 /nfs/dbraw/zinc/10/56/17/406105617.db2.gz OROAEFNVHVSVMW-IRXDYDNUSA-N 2 1 317.481 2.353 10 0 DEAEMP C[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000637892401 406465641 /nfs/dbraw/zinc/46/56/41/406465641.db2.gz JFIFLYRIUPAWHQ-HNNXBMFYSA-N 2 1 315.461 2.285 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000638103510 406571547 /nfs/dbraw/zinc/57/15/47/406571547.db2.gz PPPKICJMSOYUNX-OLMNPRSZSA-N 2 1 313.445 2.203 10 0 DEAEMP CC[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000638114780 406578033 /nfs/dbraw/zinc/57/80/33/406578033.db2.gz YHPJCENNYPGVAH-CCNLRDMRSA-N 2 1 315.461 2.296 10 0 DEAEMP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129254504 196032951 /nfs/dbraw/zinc/03/29/51/196032951.db2.gz KBYYOZPYICWHIC-GSPSYOTPSA-N 2 1 310.873 2.385 10 0 DEAEMP CSc1ccc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC000130627476 196096968 /nfs/dbraw/zinc/09/69/68/196096968.db2.gz MIHCJZJUUUAXJS-MRXNPFEDSA-N 2 1 305.491 2.406 10 0 DEAEMP CC[NH+](CC)C(C)(C)C(=O)c1c(Cl)cnn1CC[NH+](C)C ZINC000134084158 196359844 /nfs/dbraw/zinc/35/98/44/196359844.db2.gz HOYNWOVZFVDVFO-UHFFFAOYSA-N 2 1 314.861 2.401 10 0 DEAEMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876293 424849387 /nfs/dbraw/zinc/84/93/87/424849387.db2.gz INKUUWJZDKZIQQ-AWEZNQCLSA-N 2 1 320.481 2.368 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762964 424910615 /nfs/dbraw/zinc/91/06/15/424910615.db2.gz NATGOTAMMLDCFQ-QZTJIDSGSA-N 2 1 317.477 2.340 10 0 DEAEMP Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn2cc[nH+]c12 ZINC000333272817 268917007 /nfs/dbraw/zinc/91/70/07/268917007.db2.gz GIQSYOZNGJDMCX-CFVMTHIKSA-N 2 1 313.405 2.234 10 0 DEAEMP CCC[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1)[NH+](C)C ZINC000179110066 276268594 /nfs/dbraw/zinc/26/85/94/276268594.db2.gz JLGBSVQBZVVQAP-GJZGRUSLSA-N 2 1 306.454 2.339 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246185239 278002994 /nfs/dbraw/zinc/00/29/94/278002994.db2.gz COVYNIOAOOYWFK-ILOCAZANSA-N 2 1 321.509 2.391 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000073722854 281545935 /nfs/dbraw/zinc/54/59/35/281545935.db2.gz MKBSTIUJUBZMKC-MRXNPFEDSA-N 2 1 323.485 2.247 10 0 DEAEMP CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450677478 534789679 /nfs/dbraw/zinc/78/96/79/534789679.db2.gz GNXKDXNTANDOHB-PXAZEXFGSA-N 2 1 301.390 2.171 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000309714621 625520746 /nfs/dbraw/zinc/52/07/46/625520746.db2.gz KHHDVWJHTPQRLK-CQSZACIVSA-N 2 1 308.426 2.181 10 0 DEAEMP CCC[C@@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309738539 625548464 /nfs/dbraw/zinc/54/84/64/625548464.db2.gz VDAOSVVSDRHDJX-FUHWJXTLSA-N 2 1 303.450 2.237 10 0 DEAEMP CCC[C@@](C)([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309738540 625549301 /nfs/dbraw/zinc/54/93/01/625549301.db2.gz VDAOSVVSDRHDJX-SJLPKXTDSA-N 2 1 303.450 2.237 10 0 DEAEMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(O)cc2)CC1 ZINC000728570291 639256261 /nfs/dbraw/zinc/25/62/61/639256261.db2.gz HUCGBSKJEYISPX-UHFFFAOYSA-N 2 1 319.449 2.385 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381828615 685402049 /nfs/dbraw/zinc/40/20/49/685402049.db2.gz IAUHGNLFVNYKAL-BHIYHBOVSA-N 2 1 320.477 2.273 10 0 DEAEMP CCCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731558 793004287 /nfs/dbraw/zinc/00/42/87/793004287.db2.gz KYLZHTLPQMPQOF-KSZLIROESA-N 2 1 315.461 2.155 10 0 DEAEMP CCCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716731558 793004297 /nfs/dbraw/zinc/00/42/97/793004297.db2.gz KYLZHTLPQMPQOF-KSZLIROESA-N 2 1 315.461 2.155 10 0 DEAEMP [NH3+]C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000709845354 1086684577 /nfs/dbraw/zinc/68/45/77/1086684577.db2.gz IBTSFAOYKRAANH-ZIAGYGMSSA-N 2 1 302.340 2.272 10 0 DEAEMP [NH3+]C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1C(F)(F)F ZINC000709845354 1086684579 /nfs/dbraw/zinc/68/45/79/1086684579.db2.gz IBTSFAOYKRAANH-ZIAGYGMSSA-N 2 1 302.340 2.272 10 0 DEAEMP C[N@@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311194 185174830 /nfs/dbraw/zinc/17/48/30/185174830.db2.gz LLUDMVOKGZLXJG-SFHVURJKSA-N 2 1 315.461 2.205 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311194 185174831 /nfs/dbraw/zinc/17/48/31/185174831.db2.gz LLUDMVOKGZLXJG-SFHVURJKSA-N 2 1 315.461 2.205 10 0 DEAEMP C[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000090438879 185296737 /nfs/dbraw/zinc/29/67/37/185296737.db2.gz JNAJQKVHBJYAEQ-JOYOIKCWSA-N 2 1 319.268 2.177 10 0 DEAEMP C[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000090438879 185296738 /nfs/dbraw/zinc/29/67/38/185296738.db2.gz JNAJQKVHBJYAEQ-JOYOIKCWSA-N 2 1 319.268 2.177 10 0 DEAEMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000272676305 210081533 /nfs/dbraw/zinc/08/15/33/210081533.db2.gz LTJKRSCRFXVORD-SZMVWBNQSA-N 2 1 306.450 2.148 10 0 DEAEMP CC[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000262665951 356343669 /nfs/dbraw/zinc/34/36/69/356343669.db2.gz JTABYAWCOOKKKW-KBAYOESNSA-N 2 1 315.461 2.067 10 0 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311.473 2.333 10 0 DEAEMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000399708911 635782699 /nfs/dbraw/zinc/78/26/99/635782699.db2.gz XECORZRVVDNSAQ-RYRLBTNJSA-N 2 1 311.473 2.333 10 0 DEAEMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000399708911 635782703 /nfs/dbraw/zinc/78/27/03/635782703.db2.gz XECORZRVVDNSAQ-RYRLBTNJSA-N 2 1 311.473 2.333 10 0 DEAEMP Cc1cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)nc(N)[nH+]1 ZINC000386419503 685417359 /nfs/dbraw/zinc/41/73/59/685417359.db2.gz HJEWYVBRGMSEDI-UHFFFAOYSA-N 2 1 311.433 2.086 10 0 DEAEMP Cc1nc[nH]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000713341230 792219710 /nfs/dbraw/zinc/21/97/10/792219710.db2.gz CGJZOGMJQAFHHW-XJKSGUPXSA-N 2 1 312.417 2.102 10 0 DEAEMP OCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716635419 792982607 /nfs/dbraw/zinc/98/26/07/792982607.db2.gz FSNDGVKGFRZDLT-KSZLIROESA-N 2 1 300.446 2.402 10 0 DEAEMP O[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716639000 792983002 /nfs/dbraw/zinc/98/30/02/792983002.db2.gz RENVAPBMPSSGPP-WNHJNPCNSA-N 2 1 300.446 2.400 10 0 DEAEMP CC[S@](=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680769 793000779 /nfs/dbraw/zinc/00/07/79/793000779.db2.gz UMTUIDPLJUMZDU-SUWCGCSTSA-N 2 1 320.502 2.398 10 0 DEAEMP CC[S@@](=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680764 793001141 /nfs/dbraw/zinc/00/11/41/793001141.db2.gz UMTUIDPLJUMZDU-RQXXJAGISA-N 2 1 320.502 2.398 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000721944805 1085026980 /nfs/dbraw/zinc/02/69/80/1085026980.db2.gz UMTBYCFGXDIAMS-LVQVYYBASA-N 2 1 323.481 2.458 10 0 DEAEMP C[N@H+]1CC[C@H](Cn2c(N)[nH+]c3ccc(Br)cc32)C1 ZINC000087836990 185233223 /nfs/dbraw/zinc/23/32/23/185233223.db2.gz CUKSHBUKXJXVQU-VIFPVBQESA-N 2 1 309.211 2.333 10 0 DEAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434984 185250141 /nfs/dbraw/zinc/25/01/41/185250141.db2.gz PAZUSFKKGIZVKI-ZDUSSCGKSA-N 2 1 311.392 2.283 10 0 DEAEMP C[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC000090438774 185296500 /nfs/dbraw/zinc/29/65/00/185296500.db2.gz KAFPWTDLBRROKE-JSGCOSHPSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000090438774 185296501 /nfs/dbraw/zinc/29/65/01/185296501.db2.gz KAFPWTDLBRROKE-JSGCOSHPSA-N 2 1 313.239 2.115 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842408 282359134 /nfs/dbraw/zinc/35/91/34/282359134.db2.gz NOPWUAQWOCSBCZ-HNNXBMFYSA-N 2 1 324.513 2.423 10 0 DEAEMP C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149590483 186051893 /nfs/dbraw/zinc/05/18/93/186051893.db2.gz MWSFJHPSLYDMAG-CHWSQXEVSA-N 2 1 313.848 2.246 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@@H]2C[N@H+](C)CCN2C)nc1C ZINC000149766043 186052541 /nfs/dbraw/zinc/05/25/41/186052541.db2.gz FQOZVTDDZUXSIL-GXTWGEPZSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@@H]2C[N@@H+](C)CCN2C)nc1C ZINC000149766043 186052543 /nfs/dbraw/zinc/05/25/43/186052543.db2.gz FQOZVTDDZUXSIL-GXTWGEPZSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@@H]2CN(C)CC[N@@H+]2C)nc1C ZINC000149766043 186052545 /nfs/dbraw/zinc/05/25/45/186052545.db2.gz FQOZVTDDZUXSIL-GXTWGEPZSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@@H](C)c1sc(C[C@@H]2CN(C)CC[N@H+]2C)nc1C ZINC000149766043 186052547 /nfs/dbraw/zinc/05/25/47/186052547.db2.gz FQOZVTDDZUXSIL-GXTWGEPZSA-N 2 1 310.511 2.300 10 0 DEAEMP COCC[NH2+]C[C@@H]1CCCN1c1cc[nH+]cc1Br ZINC000164151304 186150788 /nfs/dbraw/zinc/15/07/88/186150788.db2.gz MFJMJBDKSYOCDF-NSHDSACASA-N 2 1 314.227 2.049 10 0 DEAEMP C[C@@H]1CN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC[N@H+]1C ZINC000164307003 186154909 /nfs/dbraw/zinc/15/49/09/186154909.db2.gz QXFLOAVJVBHNLU-SECBINFHSA-N 2 1 300.328 2.130 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000174658395 198366916 /nfs/dbraw/zinc/36/69/16/198366916.db2.gz BZRNOORKHGKQJQ-KRWDZBQOSA-N 2 1 305.466 2.007 10 0 DEAEMP CSCCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966643 360213228 /nfs/dbraw/zinc/21/32/28/360213228.db2.gz SIASBCWCWWYZFH-KRWDZBQOSA-N 2 1 308.491 2.356 10 0 DEAEMP CSCCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966643 360213230 /nfs/dbraw/zinc/21/32/30/360213230.db2.gz SIASBCWCWWYZFH-KRWDZBQOSA-N 2 1 308.491 2.356 10 0 DEAEMP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262643027 296069056 /nfs/dbraw/zinc/06/90/56/296069056.db2.gz LVTMSQDBDHWQQK-JQHSSLGASA-N 2 1 319.493 2.384 10 0 DEAEMP CC1(C)CC[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000631078289 368005070 /nfs/dbraw/zinc/00/50/70/368005070.db2.gz SOIDATWFVFZTES-IEBWSBKVSA-N 2 1 318.461 2.171 10 0 DEAEMP CC1(C)CC[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000631078289 368005073 /nfs/dbraw/zinc/00/50/73/368005073.db2.gz SOIDATWFVFZTES-IEBWSBKVSA-N 2 1 318.461 2.171 10 0 DEAEMP C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631844273 368420678 /nfs/dbraw/zinc/42/06/78/368420678.db2.gz WDHIKHNDPWZWOL-VXGBXAGGSA-N 2 1 313.239 2.355 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888143 368443104 /nfs/dbraw/zinc/44/31/04/368443104.db2.gz UGTIAMDKDQLFJP-SJLPKXTDSA-N 2 1 304.434 2.156 10 0 DEAEMP CCOC(=O)[C@@]1([NH3+])CCC[C@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596065 193271697 /nfs/dbraw/zinc/27/16/97/193271697.db2.gz VMZJFWRMDLBBBD-WCQYABFASA-N 2 1 310.360 2.321 10 0 DEAEMP CCOCC[N@@H+](CC)CC[C@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093597916 193273244 /nfs/dbraw/zinc/27/32/44/193273244.db2.gz UMFRGDLNFMMHSZ-SJORKVTESA-N 2 1 300.487 2.264 10 0 DEAEMP CC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])C[C@@H]1C ZINC000094334300 193360222 /nfs/dbraw/zinc/36/02/22/193360222.db2.gz CWZZMGIOQMOTIW-JTQLQIEISA-N 2 1 302.344 2.090 10 0 DEAEMP CC[NH2+]C1CCC([N@@H+](C)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634026 193385621 /nfs/dbraw/zinc/38/56/21/193385621.db2.gz BISIZFYNLHQCPK-FJBKBRRZSA-N 2 1 316.511 2.195 10 0 DEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1[nH+]c(NN)ccc1Cl ZINC000094442288 193369667 /nfs/dbraw/zinc/36/96/67/193369667.db2.gz ODDMGVUXESDOKZ-NWDGAFQWSA-N 2 1 309.845 2.079 10 0 DEAEMP [NH3+]C[C@]1(N2CC[N@H+]3CCC[C@@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000094459065 193371717 /nfs/dbraw/zinc/37/17/17/193371717.db2.gz LDWCGWUCOCNUJR-MJBXVCDLSA-N 2 1 305.388 2.216 10 0 DEAEMP COc1ccc([C@@H](C[NH3+])N2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000094458692 193372034 /nfs/dbraw/zinc/37/20/34/193372034.db2.gz OXKCEHLJDDIRNH-UKRRQHHQSA-N 2 1 309.841 2.128 10 0 DEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355049 245089293 /nfs/dbraw/zinc/08/92/93/245089293.db2.gz HFKDGSRGIOYKCO-OWLYRPNTSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355049 245089304 /nfs/dbraw/zinc/08/93/04/245089304.db2.gz HFKDGSRGIOYKCO-OWLYRPNTSA-N 2 1 315.461 2.141 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000105922624 194170272 /nfs/dbraw/zinc/17/02/72/194170272.db2.gz RUEUPRMCKCYMDT-JKSUJKDBSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000105922624 194170275 /nfs/dbraw/zinc/17/02/75/194170275.db2.gz RUEUPRMCKCYMDT-JKSUJKDBSA-N 2 1 318.465 2.483 10 0 DEAEMP COC(=O)[C@@](C)(CCC[N@H+](C)CCOC(C)C)[NH2+]C(C)C ZINC000157525212 197193545 /nfs/dbraw/zinc/19/35/45/197193545.db2.gz QNLPYJFNRCIUQA-MRXNPFEDSA-N 2 1 302.459 2.053 10 0 DEAEMP COC(=O)[C@@](C)(CCC[N@@H+](C)CCOC(C)C)[NH2+]C(C)C ZINC000157525212 197193547 /nfs/dbraw/zinc/19/35/47/197193547.db2.gz QNLPYJFNRCIUQA-MRXNPFEDSA-N 2 1 302.459 2.053 10 0 DEAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CCCOC)[NH2+]C(C)C ZINC000062034762 184202908 /nfs/dbraw/zinc/20/29/08/184202908.db2.gz CINOGTLLZGDRFL-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CCCOC)[NH2+]C(C)C ZINC000062034762 184202909 /nfs/dbraw/zinc/20/29/09/184202909.db2.gz CINOGTLLZGDRFL-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCC[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000158752924 197299495 /nfs/dbraw/zinc/29/94/95/197299495.db2.gz SHIGKSJNLLKSCR-OAHLLOKOSA-N 2 1 310.463 2.041 10 0 DEAEMP CCC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000158752924 197299497 /nfs/dbraw/zinc/29/94/97/197299497.db2.gz SHIGKSJNLLKSCR-OAHLLOKOSA-N 2 1 310.463 2.041 10 0 DEAEMP COC[C@@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000248108485 257109821 /nfs/dbraw/zinc/10/98/21/257109821.db2.gz GMDDLPOGNOPVNQ-WMZOPIPTSA-N 2 1 304.434 2.095 10 0 DEAEMP COC[C@@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000248108485 257109823 /nfs/dbraw/zinc/10/98/23/257109823.db2.gz GMDDLPOGNOPVNQ-WMZOPIPTSA-N 2 1 304.434 2.095 10 0 DEAEMP COC[C@@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1ccccc1OC)C2 ZINC000248108485 257109825 /nfs/dbraw/zinc/10/98/25/257109825.db2.gz GMDDLPOGNOPVNQ-WMZOPIPTSA-N 2 1 304.434 2.095 10 0 DEAEMP COC[C@@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1ccccc1OC)C2 ZINC000248108485 257109826 /nfs/dbraw/zinc/10/98/26/257109826.db2.gz GMDDLPOGNOPVNQ-WMZOPIPTSA-N 2 1 304.434 2.095 10 0 DEAEMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]2C1 ZINC000247994459 257113580 /nfs/dbraw/zinc/11/35/80/257113580.db2.gz MFODYIQOZXTYFO-RBUKOAKNSA-N 2 1 301.478 2.044 10 0 DEAEMP CC(C)OC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193607203 145087532 /nfs/dbraw/zinc/08/75/32/145087532.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 2 1 302.418 2.245 10 0 DEAEMP CC(C)OC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193607203 145087534 /nfs/dbraw/zinc/08/75/34/145087534.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 2 1 302.418 2.245 10 0 DEAEMP CC(C)OC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193607203 145087536 /nfs/dbraw/zinc/08/75/36/145087536.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 2 1 302.418 2.245 10 0 DEAEMP CC(C)OC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193607203 145087538 /nfs/dbraw/zinc/08/75/38/145087538.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 2 1 302.418 2.245 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)C)nn3C2)[C@H](C)C1 ZINC000246549800 145105965 /nfs/dbraw/zinc/10/59/65/145105965.db2.gz WLGNDVSXGXYKLZ-ILXRZTDVSA-N 2 1 305.470 2.036 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)C)nn3C2)[C@@H](C)C1 ZINC000246549815 145105972 /nfs/dbraw/zinc/10/59/72/145105972.db2.gz WLGNDVSXGXYKLZ-KKUMJFAQSA-N 2 1 305.470 2.036 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247944537 145145410 /nfs/dbraw/zinc/14/54/10/145145410.db2.gz HEXOYWUAQAKEGI-SCTDSRPQSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247944537 145145412 /nfs/dbraw/zinc/14/54/12/145145412.db2.gz HEXOYWUAQAKEGI-SCTDSRPQSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247944537 145145414 /nfs/dbraw/zinc/14/54/14/145145414.db2.gz HEXOYWUAQAKEGI-SCTDSRPQSA-N 2 1 318.461 2.151 10 0 DEAEMP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248641128 145162577 /nfs/dbraw/zinc/16/25/77/145162577.db2.gz CKHQHHNRTTXOPT-IRXDYDNUSA-N 2 1 321.465 2.301 10 0 DEAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000248641128 145162579 /nfs/dbraw/zinc/16/25/79/145162579.db2.gz CKHQHHNRTTXOPT-IRXDYDNUSA-N 2 1 321.465 2.301 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813554 297090870 /nfs/dbraw/zinc/09/08/70/297090870.db2.gz ADYYEFNOUBLPQZ-CVEARBPZSA-N 2 1 307.482 2.371 10 0 DEAEMP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550899 145207300 /nfs/dbraw/zinc/20/73/00/145207300.db2.gz PXDNIBWVWWABJR-SJLPKXTDSA-N 2 1 315.461 2.109 10 0 DEAEMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261912200 145241123 /nfs/dbraw/zinc/24/11/23/145241123.db2.gz JEGINAMEVGPXIB-KZNAEPCWSA-N 2 1 304.434 2.332 10 0 DEAEMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261960088 145247246 /nfs/dbraw/zinc/24/72/46/145247246.db2.gz PKSXQWFAJUUMHZ-ZKXLYKBJSA-N 2 1 310.482 2.184 10 0 DEAEMP C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH2+]C1 ZINC000262365585 145279150 /nfs/dbraw/zinc/27/91/50/145279150.db2.gz WWBYJEGWQLXUCW-OZSLIKBDSA-N 2 1 307.482 2.144 10 0 DEAEMP CCCNC(=O)[C@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370306282 148004738 /nfs/dbraw/zinc/00/47/38/148004738.db2.gz UUWTYWHHSVCRTN-LSDHHAIUSA-N 2 1 318.465 2.314 10 0 DEAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000370763212 148053552 /nfs/dbraw/zinc/05/35/52/148053552.db2.gz HBLJMKFFOJRCMX-FGTMMUONSA-N 2 1 315.461 2.142 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000127326861 401729116 /nfs/dbraw/zinc/72/91/16/401729116.db2.gz ZZIPBMUDHBIPJX-GOEBONIOSA-N 2 1 322.497 2.033 10 0 DEAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119039700 401920743 /nfs/dbraw/zinc/92/07/43/401920743.db2.gz NMMQCQSKSJCZDF-OTBWCIGPSA-N 2 1 324.513 2.088 10 0 DEAEMP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969945 401991454 /nfs/dbraw/zinc/99/14/54/401991454.db2.gz XMYOPMYCDGYBAY-WMZOPIPTSA-N 2 1 321.509 2.489 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000105918300 402211413 /nfs/dbraw/zinc/21/14/13/402211413.db2.gz XAAIEKROASKCJA-UHFFFAOYSA-N 2 1 307.438 2.406 10 0 DEAEMP Cc1ccc(N2CCC(NC(=O)c3ccc(C[NH3+])cc3)CC2)[nH+]c1 ZINC000178880179 402549419 /nfs/dbraw/zinc/54/94/19/402549419.db2.gz DKXBBROEGMMZBQ-UHFFFAOYSA-N 2 1 324.428 2.248 10 0 DEAEMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247114364 402557549 /nfs/dbraw/zinc/55/75/49/402557549.db2.gz PILFPXYEBTWCEA-XHSDSOJGSA-N 2 1 303.450 2.346 10 0 DEAEMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247114364 402557553 /nfs/dbraw/zinc/55/75/53/402557553.db2.gz PILFPXYEBTWCEA-XHSDSOJGSA-N 2 1 303.450 2.346 10 0 DEAEMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247239445 402560846 /nfs/dbraw/zinc/56/08/46/402560846.db2.gz ZVENWRRONOBTEM-BBRMVZONSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247239445 402560848 /nfs/dbraw/zinc/56/08/48/402560848.db2.gz ZVENWRRONOBTEM-BBRMVZONSA-N 2 1 306.454 2.349 10 0 DEAEMP CC[N@@H+](CC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000246195971 402517492 /nfs/dbraw/zinc/51/74/92/402517492.db2.gz ACTYOUVBBRAXNR-NVXWUHKLSA-N 2 1 315.461 2.250 10 0 DEAEMP CC[NH+](CC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000246195971 402517494 /nfs/dbraw/zinc/51/74/94/402517494.db2.gz ACTYOUVBBRAXNR-NVXWUHKLSA-N 2 1 315.461 2.250 10 0 DEAEMP CC[NH+](CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000246195971 402517495 /nfs/dbraw/zinc/51/74/95/402517495.db2.gz ACTYOUVBBRAXNR-NVXWUHKLSA-N 2 1 315.461 2.250 10 0 DEAEMP C[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178747361 402533784 /nfs/dbraw/zinc/53/37/84/402533784.db2.gz FWBYSMQQGPQLAA-PBHICJAKSA-N 2 1 301.434 2.019 10 0 DEAEMP C[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178747381 402533884 /nfs/dbraw/zinc/53/38/84/402533884.db2.gz FWBYSMQQGPQLAA-RHSMWYFYSA-N 2 1 301.434 2.019 10 0 DEAEMP C[C@@H](CCNC(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000248373932 402588420 /nfs/dbraw/zinc/58/84/20/402588420.db2.gz MPTUJLPBZBKFCZ-IRXDYDNUSA-N 2 1 324.513 2.425 10 0 DEAEMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000248422380 402590409 /nfs/dbraw/zinc/59/04/09/402590409.db2.gz CFZGHEALGYOXHP-ZNMIVQPWSA-N 2 1 318.465 2.244 10 0 DEAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000248422380 402590410 /nfs/dbraw/zinc/59/04/10/402590410.db2.gz CFZGHEALGYOXHP-ZNMIVQPWSA-N 2 1 318.465 2.244 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249757505 402640478 /nfs/dbraw/zinc/64/04/78/402640478.db2.gz DYZAAJFZCSHGSS-BZUAXINKSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173311132 402692346 /nfs/dbraw/zinc/69/23/46/402692346.db2.gz OXJRICDPYQDVTN-SJORKVTESA-N 2 1 324.513 2.375 10 0 DEAEMP CCC1(CC)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@@H]1OC ZINC000261976958 402720752 /nfs/dbraw/zinc/72/07/52/402720752.db2.gz RFSHRWHNZISZGI-UTSKFRMZSA-N 2 1 310.482 2.327 10 0 DEAEMP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C[NH+]1CCCC1 ZINC000174113784 402727170 /nfs/dbraw/zinc/72/71/70/402727170.db2.gz QFJBFTOKSHSMGI-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP Cc1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn2cc[nH+]c12 ZINC000333320419 403723760 /nfs/dbraw/zinc/72/37/60/403723760.db2.gz MXNUJHPYSNDZID-KRWDZBQOSA-N 2 1 313.405 2.250 10 0 DEAEMP CC(=O)[C@](C)(O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000347752644 403846426 /nfs/dbraw/zinc/84/64/26/403846426.db2.gz KFQCTQIVIAKXCH-LJQANCHMSA-N 2 1 318.461 2.170 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379681896 405029153 /nfs/dbraw/zinc/02/91/53/405029153.db2.gz UOJHLTGIKRIYLI-HHXXYDBFSA-N 2 1 315.461 2.298 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000389875879 405040961 /nfs/dbraw/zinc/04/09/61/405040961.db2.gz LRGIZRPCXBEQSR-FZCLSBEQSA-N 2 1 315.461 2.011 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396334506 405056912 /nfs/dbraw/zinc/05/69/12/405056912.db2.gz TUUCSBHWNWNPQI-KBAYOESNSA-N 2 1 315.461 2.094 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396334506 405056915 /nfs/dbraw/zinc/05/69/15/405056915.db2.gz TUUCSBHWNWNPQI-KBAYOESNSA-N 2 1 315.461 2.094 10 0 DEAEMP Cn1ncc(Br)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459796026 406050890 /nfs/dbraw/zinc/05/08/90/406050890.db2.gz VXVMDJBQRXFCMW-NSHDSACASA-N 2 1 315.259 2.004 10 0 DEAEMP [NH3+]C1(CC(=O)NC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637927307 406480930 /nfs/dbraw/zinc/48/09/30/406480930.db2.gz NAQWNVWERWRRLF-UHFFFAOYSA-N 2 1 301.434 2.039 10 0 DEAEMP CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638081429 406559895 /nfs/dbraw/zinc/55/98/95/406559895.db2.gz YUNHSAUXRIBHSY-RDJZCZTQSA-N 2 1 303.450 2.155 10 0 DEAEMP [NH3+]C1CC[NH+]([C@@H]2CCN(c3snc4ccccc43)C2)CC1 ZINC000130864916 196117699 /nfs/dbraw/zinc/11/76/99/196117699.db2.gz LGLXUDNBKFYOBH-CYBMUJFWSA-N 2 1 302.447 2.298 10 0 DEAEMP C[N@@H+]1CCC[C@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000134375883 196383568 /nfs/dbraw/zinc/38/35/68/196383568.db2.gz WDXJBLWHJXQQIC-AWEZNQCLSA-N 2 1 323.238 2.048 10 0 DEAEMP C[N@H+]1CCC[C@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000134375883 196383570 /nfs/dbraw/zinc/38/35/70/196383570.db2.gz WDXJBLWHJXQQIC-AWEZNQCLSA-N 2 1 323.238 2.048 10 0 DEAEMP NC(=O)c1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000302226807 230184841 /nfs/dbraw/zinc/18/48/41/230184841.db2.gz PVNGQADGBUSCJC-CQSZACIVSA-N 2 1 302.422 2.025 10 0 DEAEMP c1cc(NC2CC([NH+]3CCCCC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000360093916 424836647 /nfs/dbraw/zinc/83/66/47/424836647.db2.gz PHJLYPZQFLTSTL-UHFFFAOYSA-N 2 1 315.465 2.896 10 0 DEAEMP C[C@@H]([NH3+])CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000194858504 424878813 /nfs/dbraw/zinc/87/88/13/424878813.db2.gz FACOFVPDSAUBGT-MRXNPFEDSA-N 2 1 311.429 2.152 10 0 DEAEMP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000363398551 269055759 /nfs/dbraw/zinc/05/57/59/269055759.db2.gz LDQNYQUVHISRFO-UHFFFAOYSA-N 2 1 315.461 2.450 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175364700 279332718 /nfs/dbraw/zinc/33/27/18/279332718.db2.gz DTGIJHDXPMPGTF-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000398112434 337306178 /nfs/dbraw/zinc/30/61/78/337306178.db2.gz DMIMMEUDAZPVCW-CGTJXYLNSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398163301 337307633 /nfs/dbraw/zinc/30/76/33/337307633.db2.gz SNDPNIFNMNESEG-HHXXYDBFSA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C[NH+]1CCCC1 ZINC000192485034 341844791 /nfs/dbraw/zinc/84/47/91/341844791.db2.gz IVJOSNLIPBDSOF-CYBMUJFWSA-N 2 1 319.474 2.422 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C12CCOCC2 ZINC000249025511 535407919 /nfs/dbraw/zinc/40/79/19/535407919.db2.gz RLGUOUMOMUYLEX-USXIJHARSA-N 2 1 321.465 2.391 10 0 DEAEMP COCCOCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309886872 625203223 /nfs/dbraw/zinc/20/32/23/625203223.db2.gz ZREMUOJTZUVFMK-CEXWTWQISA-N 2 1 318.461 2.150 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000386910557 685419841 /nfs/dbraw/zinc/41/98/41/685419841.db2.gz KEAYNOKUMVGVQU-PMPSAXMXSA-N 2 1 302.418 2.290 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000386910557 685419844 /nfs/dbraw/zinc/41/98/44/685419844.db2.gz KEAYNOKUMVGVQU-PMPSAXMXSA-N 2 1 302.418 2.290 10 0 DEAEMP O[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716638989 792982396 /nfs/dbraw/zinc/98/23/96/792982396.db2.gz RENVAPBMPSSGPP-DSLXNQLJSA-N 2 1 300.446 2.400 10 0 DEAEMP CCNC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729473 793002927 /nfs/dbraw/zinc/00/29/27/793002927.db2.gz CIAYLWNORGRUIJ-SPUZQDLCSA-N 2 1 315.461 2.154 10 0 DEAEMP CCNC(=O)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729473 793002941 /nfs/dbraw/zinc/00/29/41/793002941.db2.gz CIAYLWNORGRUIJ-SPUZQDLCSA-N 2 1 315.461 2.154 10 0 DEAEMP c1ccc(C[NH+]2CCC([NH2+]CCOC3CCOCC3)CC2)cc1 ZINC000701390723 1086364006 /nfs/dbraw/zinc/36/40/06/1086364006.db2.gz TXCWKSHTJTUQKM-UHFFFAOYSA-N 2 1 318.461 2.436 10 0 DEAEMP CC1(C)CO[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000708331587 1086677914 /nfs/dbraw/zinc/67/79/14/1086677914.db2.gz QJCHSQCUPNWXTO-MJGOQNOKSA-N 2 1 318.461 2.028 10 0 DEAEMP CC1(C)CO[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000708331587 1086677920 /nfs/dbraw/zinc/67/79/20/1086677920.db2.gz QJCHSQCUPNWXTO-MJGOQNOKSA-N 2 1 318.461 2.028 10 0 DEAEMP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000711285776 1087043079 /nfs/dbraw/zinc/04/30/79/1087043079.db2.gz XMSHGROYCKEGQV-SJORKVTESA-N 2 1 315.461 2.013 10 0 DEAEMP [NH3+]C[C@]1(Nc2ccc(Br)cc2)CC[N@H+](C2CC2)C1 ZINC000087914747 185237250 /nfs/dbraw/zinc/23/72/50/185237250.db2.gz TVUVAIAMBXOQQR-CQSZACIVSA-N 2 1 310.239 2.427 10 0 DEAEMP C[NH+]1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000187998502 282295125 /nfs/dbraw/zinc/29/51/25/282295125.db2.gz RZLIAUOIOAPJRF-UHFFFAOYSA-N 2 1 307.869 2.382 10 0 DEAEMP C[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000195128079 282369332 /nfs/dbraw/zinc/36/93/32/282369332.db2.gz POCBOKZQMPRVFN-INIZCTEOSA-N 2 1 310.486 2.034 10 0 DEAEMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000195128079 282369336 /nfs/dbraw/zinc/36/93/36/282369336.db2.gz POCBOKZQMPRVFN-INIZCTEOSA-N 2 1 310.486 2.034 10 0 DEAEMP C[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000195128079 282369337 /nfs/dbraw/zinc/36/93/37/282369337.db2.gz POCBOKZQMPRVFN-INIZCTEOSA-N 2 1 310.486 2.034 10 0 DEAEMP C[N@H+](CCC(N)=[NH2+])Cc1ccc(I)cc1 ZINC000083849698 192386189 /nfs/dbraw/zinc/38/61/89/192386189.db2.gz FLOQUIFEGLUVSJ-UHFFFAOYSA-N 2 1 317.174 2.049 10 0 DEAEMP C[N@@H+](CCC(N)=[NH2+])Cc1ccc(I)cc1 ZINC000083849698 192386190 /nfs/dbraw/zinc/38/61/90/192386190.db2.gz FLOQUIFEGLUVSJ-UHFFFAOYSA-N 2 1 317.174 2.049 10 0 DEAEMP CC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@H]1C[N@@H+](C)CCN1C ZINC000149610976 186051546 /nfs/dbraw/zinc/05/15/46/186051546.db2.gz OTDKRTUKDLUZSO-SJORKVTESA-N 2 1 309.885 2.497 10 0 DEAEMP Brc1c[nH+]ccc1NCCOC1CC[NH2+]CC1 ZINC000163949532 186143497 /nfs/dbraw/zinc/14/34/97/186143497.db2.gz SZNMLTGMUKNFQT-UHFFFAOYSA-N 2 1 300.200 2.025 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)CC(C)C ZINC000171900004 198004277 /nfs/dbraw/zinc/00/42/77/198004277.db2.gz FCPRKSMDZKAHLZ-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775393 198383361 /nfs/dbraw/zinc/38/33/61/198383361.db2.gz RRZLUFKENWTZMI-NVXWUHKLSA-N 2 1 315.461 2.238 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000181973175 356102988 /nfs/dbraw/zinc/10/29/88/356102988.db2.gz KVMUYEMLWNNDNG-ZACQAIPSSA-N 2 1 324.513 2.279 10 0 DEAEMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399548403 283153251 /nfs/dbraw/zinc/15/32/51/283153251.db2.gz BJLQOIJCTRWXBC-BFYDXBDKSA-N 2 1 305.466 2.243 10 0 DEAEMP Cn1c2ccccc2nc1C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328625313 356462647 /nfs/dbraw/zinc/46/26/47/356462647.db2.gz CYWZGNCTJLGYQB-CQSZACIVSA-N 2 1 309.417 2.464 10 0 DEAEMP Cn1c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000328625313 356462653 /nfs/dbraw/zinc/46/26/53/356462653.db2.gz CYWZGNCTJLGYQB-CQSZACIVSA-N 2 1 309.417 2.464 10 0 DEAEMP CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000236829310 202029720 /nfs/dbraw/zinc/02/97/20/202029720.db2.gz KMGZMCGMXBDLIO-UHFFFAOYSA-N 2 1 316.430 2.232 10 0 DEAEMP CC[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH3+])cc3)sc2C1 ZINC000236829310 202029723 /nfs/dbraw/zinc/02/97/23/202029723.db2.gz KMGZMCGMXBDLIO-UHFFFAOYSA-N 2 1 316.430 2.232 10 0 DEAEMP CSCCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966645 360212980 /nfs/dbraw/zinc/21/29/80/360212980.db2.gz SIASBCWCWWYZFH-QGZVFWFLSA-N 2 1 308.491 2.356 10 0 DEAEMP CSCCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966645 360212982 /nfs/dbraw/zinc/21/29/82/360212982.db2.gz SIASBCWCWWYZFH-QGZVFWFLSA-N 2 1 308.491 2.356 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000629571428 367256317 /nfs/dbraw/zinc/25/63/17/367256317.db2.gz LUPKYRZQUVBPHG-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093618268 193275319 /nfs/dbraw/zinc/27/53/19/193275319.db2.gz MKIAEGIBVPIBAY-IHRRRGAJSA-N 2 1 308.388 2.401 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CCC[C@@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782962 193307779 /nfs/dbraw/zinc/30/77/79/193307779.db2.gz XGYWVPLAKISYGJ-SJORKVTESA-N 2 1 300.487 2.264 10 0 DEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638876 193387939 /nfs/dbraw/zinc/38/79/39/193387939.db2.gz VQHNBTWIORLVHW-CKUJCDMFSA-N 2 1 316.511 2.324 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000486987319 248742828 /nfs/dbraw/zinc/74/28/28/248742828.db2.gz MJPOUCNCBGIHTP-QGZVFWFLSA-N 2 1 306.475 2.362 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111122034 194391800 /nfs/dbraw/zinc/39/18/00/194391800.db2.gz OBBINRXHTSLAPM-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](CC)CCOCC)C(=O)OC ZINC000111122034 194391801 /nfs/dbraw/zinc/39/18/01/194391801.db2.gz OBBINRXHTSLAPM-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000061236506 184166949 /nfs/dbraw/zinc/16/69/49/184166949.db2.gz VPUJWVDSDIKFFW-AWEZNQCLSA-N 2 1 309.479 2.028 10 0 DEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000063092284 184270074 /nfs/dbraw/zinc/27/00/74/184270074.db2.gz QSEPURNCHYPJLN-JTQLQIEISA-N 2 1 314.227 2.474 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000539417130 285076901 /nfs/dbraw/zinc/07/69/01/285076901.db2.gz AMORSSDUNWIMJJ-OAHLLOKOSA-N 2 1 311.857 2.353 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000358188811 133127363 /nfs/dbraw/zinc/12/73/63/133127363.db2.gz LSWPJPIKFSVDFK-QGZVFWFLSA-N 2 1 322.497 2.058 10 0 DEAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3COCCO3)CC23CC3)cc1 ZINC000564958614 292123439 /nfs/dbraw/zinc/12/34/39/292123439.db2.gz HXNBOZCRMHSUAF-ZWKOTPCHSA-N 2 1 316.445 2.189 10 0 DEAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3COCCO3)CC23CC3)cc1 ZINC000564958614 292123440 /nfs/dbraw/zinc/12/34/40/292123440.db2.gz HXNBOZCRMHSUAF-ZWKOTPCHSA-N 2 1 316.445 2.189 10 0 DEAEMP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCS(=O)(=O)CC)[C@H](C)C1 ZINC000190885692 145049793 /nfs/dbraw/zinc/04/97/93/145049793.db2.gz IRXXCVFNXHFXFP-CVEARBPZSA-N 2 1 318.527 2.254 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCS(=O)(=O)CC)[C@H](C)C1 ZINC000190885692 145049794 /nfs/dbraw/zinc/04/97/94/145049794.db2.gz IRXXCVFNXHFXFP-CVEARBPZSA-N 2 1 318.527 2.254 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCS(=O)(=O)CC)[C@H](C)C1 ZINC000190885692 145049796 /nfs/dbraw/zinc/04/97/96/145049796.db2.gz IRXXCVFNXHFXFP-CVEARBPZSA-N 2 1 318.527 2.254 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCS(=O)(=O)CC)[C@H](C)C1 ZINC000190885692 145049797 /nfs/dbraw/zinc/04/97/97/145049797.db2.gz IRXXCVFNXHFXFP-CVEARBPZSA-N 2 1 318.527 2.254 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246712302 145111467 /nfs/dbraw/zinc/11/14/67/145111467.db2.gz LENQDXGXWFWPKO-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246712302 145111469 /nfs/dbraw/zinc/11/14/69/145111469.db2.gz LENQDXGXWFWPKO-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246712302 145111471 /nfs/dbraw/zinc/11/14/71/145111471.db2.gz LENQDXGXWFWPKO-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246712302 145111473 /nfs/dbraw/zinc/11/14/73/145111473.db2.gz LENQDXGXWFWPKO-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP CC(C)[NH+]1C[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246756405 145113092 /nfs/dbraw/zinc/11/30/92/145113092.db2.gz BPXPZWKRLJWZRX-QZWWFDLISA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246756405 145113095 /nfs/dbraw/zinc/11/30/95/145113095.db2.gz BPXPZWKRLJWZRX-QZWWFDLISA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@H+]1C[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246756405 145113096 /nfs/dbraw/zinc/11/30/96/145113096.db2.gz BPXPZWKRLJWZRX-QZWWFDLISA-N 2 1 324.513 2.135 10 0 DEAEMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261805734 145227914 /nfs/dbraw/zinc/22/79/14/145227914.db2.gz HIMKKMUELKYRPX-CVEARBPZSA-N 2 1 301.434 2.337 10 0 DEAEMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261850008 145232725 /nfs/dbraw/zinc/23/27/25/145232725.db2.gz BEHIABKIEGJSRS-KURKYZTESA-N 2 1 311.429 2.482 10 0 DEAEMP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261875855 145235930 /nfs/dbraw/zinc/23/59/30/145235930.db2.gz DRJHEZCQNFQIPO-GUDVDZBRSA-N 2 1 318.461 2.429 10 0 DEAEMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000261966508 145247490 /nfs/dbraw/zinc/24/74/90/145247490.db2.gz PNDSFZWGTBMMTM-UHFFFAOYSA-N 2 1 311.376 2.225 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C12CCCC2 ZINC000262017827 145253621 /nfs/dbraw/zinc/25/36/21/145253621.db2.gz WIILEQGQYQIVBS-OBVSXPTNSA-N 2 1 322.493 2.471 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1F ZINC000262038500 145256334 /nfs/dbraw/zinc/25/63/34/145256334.db2.gz YHJIZKSHNRFTOK-WTTBNOFXSA-N 2 1 322.424 2.340 10 0 DEAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000263194732 145334765 /nfs/dbraw/zinc/33/47/65/145334765.db2.gz IHQNHGLAHWGLKI-DOMZBBRYSA-N 2 1 306.406 2.224 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000127327061 401729297 /nfs/dbraw/zinc/72/92/97/401729297.db2.gz ZZIPBMUDHBIPJX-HOCLYGCPSA-N 2 1 322.497 2.033 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000113579966 401782604 /nfs/dbraw/zinc/78/26/04/401782604.db2.gz UZKXBPCZLNZZRI-JKSUJKDBSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@]1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCC[NH2+]1 ZINC000134620420 401908916 /nfs/dbraw/zinc/90/89/16/401908916.db2.gz ZNSLIEDPVONTMH-SFHVURJKSA-N 2 1 316.449 2.007 10 0 DEAEMP [NH3+]CCC[C@@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000142648989 401990447 /nfs/dbraw/zinc/99/04/47/401990447.db2.gz CZKAFDAWTJPERP-GOSISDBHSA-N 2 1 310.397 2.408 10 0 DEAEMP CCC[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516370 401943221 /nfs/dbraw/zinc/94/32/21/401943221.db2.gz HXFJGDITFWWHQD-MAUKXSAKSA-N 2 1 317.477 2.280 10 0 DEAEMP COc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121140552 402016976 /nfs/dbraw/zinc/01/69/76/402016976.db2.gz SVFYZNOQXRGPIX-HNNXBMFYSA-N 2 1 306.450 2.220 10 0 DEAEMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000125166256 402217248 /nfs/dbraw/zinc/21/72/48/402217248.db2.gz NZSSLGBIJTWEMM-GOSISDBHSA-N 2 1 309.498 2.049 10 0 DEAEMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000154833210 402234563 /nfs/dbraw/zinc/23/45/63/402234563.db2.gz KZJPVVITJJUPFA-IBGZPJMESA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000154833210 402234566 /nfs/dbraw/zinc/23/45/66/402234566.db2.gz KZJPVVITJJUPFA-IBGZPJMESA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000154833210 402234568 /nfs/dbraw/zinc/23/45/68/402234568.db2.gz KZJPVVITJJUPFA-IBGZPJMESA-N 2 1 317.477 2.498 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000176296237 402297589 /nfs/dbraw/zinc/29/75/89/402297589.db2.gz WIIXEGYPZANUCG-QGZVFWFLSA-N 2 1 324.513 2.234 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000176297103 402297809 /nfs/dbraw/zinc/29/78/09/402297809.db2.gz WPIZLHWCZOIPCT-QGZVFWFLSA-N 2 1 324.513 2.377 10 0 DEAEMP CCC[C@@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[NH+](C)C ZINC000162183551 402412697 /nfs/dbraw/zinc/41/26/97/402412697.db2.gz ZEDZUWUIGPXMJG-INIZCTEOSA-N 2 1 318.465 2.205 10 0 DEAEMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186786472 402464266 /nfs/dbraw/zinc/46/42/66/402464266.db2.gz ZSBNUIDLZVMNGN-NXHRZFHOSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000165016572 402472060 /nfs/dbraw/zinc/47/20/60/402472060.db2.gz COVYNIOAOOYWFK-ADHGMGHFSA-N 2 1 321.509 2.391 10 0 DEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178291125 402480462 /nfs/dbraw/zinc/48/04/62/402480462.db2.gz GFYKTKVHSZTWRA-UKRRQHHQSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178291125 402480464 /nfs/dbraw/zinc/48/04/64/402480464.db2.gz GFYKTKVHSZTWRA-UKRRQHHQSA-N 2 1 306.454 2.349 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000178314645 402484189 /nfs/dbraw/zinc/48/41/89/402484189.db2.gz BLOGNWTZFMIPJV-HOCLYGCPSA-N 2 1 304.438 2.057 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000178314645 402484192 /nfs/dbraw/zinc/48/41/92/402484192.db2.gz BLOGNWTZFMIPJV-HOCLYGCPSA-N 2 1 304.438 2.057 10 0 DEAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245898344 402495360 /nfs/dbraw/zinc/49/53/60/402495360.db2.gz REOXWPFYWXGLRQ-ZACQAIPSSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000246797664 402545334 /nfs/dbraw/zinc/54/53/34/402545334.db2.gz BRTIDGKNTZSVPK-HOCLYGCPSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246335238 402525941 /nfs/dbraw/zinc/52/59/41/402525941.db2.gz DEOIXQBACOXTDU-JYJNAYRXSA-N 2 1 312.502 2.088 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246472372 402532419 /nfs/dbraw/zinc/53/24/19/402532419.db2.gz VLQZBYIEUHHENU-QZWWFDLISA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246472372 402532421 /nfs/dbraw/zinc/53/24/21/402532421.db2.gz VLQZBYIEUHHENU-QZWWFDLISA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246472372 402532424 /nfs/dbraw/zinc/53/24/24/402532424.db2.gz VLQZBYIEUHHENU-QZWWFDLISA-N 2 1 324.513 2.231 10 0 DEAEMP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000179270301 402583624 /nfs/dbraw/zinc/58/36/24/402583624.db2.gz FRFIFCVWEAGACE-KRWDZBQOSA-N 2 1 305.470 2.093 10 0 DEAEMP CCCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248652327 402601739 /nfs/dbraw/zinc/60/17/39/402601739.db2.gz NSSZJYTYKRQZCS-SOLBZPMBSA-N 2 1 312.498 2.407 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000190462532 402603044 /nfs/dbraw/zinc/60/30/44/402603044.db2.gz OBODJKBCSQVZMN-AWEZNQCLSA-N 2 1 319.478 2.139 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173669312 402707559 /nfs/dbraw/zinc/70/75/59/402707559.db2.gz UFCPMOALFPLLQL-NVXWUHKLSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544244 402713840 /nfs/dbraw/zinc/71/38/40/402713840.db2.gz ISAQTBREBDLJFL-NEPXVJNWSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544244 402713842 /nfs/dbraw/zinc/71/38/42/402713842.db2.gz ISAQTBREBDLJFL-NEPXVJNWSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544244 402713844 /nfs/dbraw/zinc/71/38/44/402713844.db2.gz ISAQTBREBDLJFL-NEPXVJNWSA-N 3 1 301.478 2.485 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173828826 402714528 /nfs/dbraw/zinc/71/45/28/402714528.db2.gz ZAHUOAMEKRSMDL-ZACQAIPSSA-N 2 1 324.513 2.373 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000174174106 402730234 /nfs/dbraw/zinc/73/02/34/402730234.db2.gz GYBVFXJIWMRNNF-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263239842 402749015 /nfs/dbraw/zinc/74/90/15/402749015.db2.gz OKQZYRJAQUMYFU-CABZTGNLSA-N 2 1 308.731 2.029 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn2ccccc12 ZINC000378373558 404946565 /nfs/dbraw/zinc/94/65/65/404946565.db2.gz TZVFHFNUIOITCF-BPQIPLTHSA-N 2 1 314.433 2.018 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn2ccccc12 ZINC000378373558 404946569 /nfs/dbraw/zinc/94/65/69/404946569.db2.gz TZVFHFNUIOITCF-BPQIPLTHSA-N 2 1 314.433 2.018 10 0 DEAEMP C[C@@H](CC[NH2+]C[C@@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647575 405028489 /nfs/dbraw/zinc/02/84/89/405028489.db2.gz KQYNTJJDIKIYNK-GXTWGEPZSA-N 2 1 304.356 2.410 10 0 DEAEMP C[C@@H](CC[NH2+]C[C@@H](O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379647575 405028491 /nfs/dbraw/zinc/02/84/91/405028491.db2.gz KQYNTJJDIKIYNK-GXTWGEPZSA-N 2 1 304.356 2.410 10 0 DEAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396392980 405056728 /nfs/dbraw/zinc/05/67/28/405056728.db2.gz ROWLFMMGESXDGU-BQFCYCMXSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396392980 405056732 /nfs/dbraw/zinc/05/67/32/405056732.db2.gz ROWLFMMGESXDGU-BQFCYCMXSA-N 2 1 315.461 2.107 10 0 DEAEMP c1cc(OCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCO2 ZINC000420365302 405333773 /nfs/dbraw/zinc/33/37/73/405333773.db2.gz JATXAHPDHHEYPQ-SFHVURJKSA-N 2 1 318.417 2.260 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638835523 405702824 /nfs/dbraw/zinc/70/28/24/405702824.db2.gz MELRNTSSYHAFKV-SZVBFZGTSA-N 2 1 315.461 2.013 10 0 DEAEMP CC(C)N(C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C(C)C ZINC000105875639 424849727 /nfs/dbraw/zinc/84/97/27/424849727.db2.gz WNOJZHZTRCPMGP-UHFFFAOYSA-N 2 1 320.481 2.320 10 0 DEAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000384327418 424911135 /nfs/dbraw/zinc/91/11/35/424911135.db2.gz XWVURJYZTVAFNS-RYQLBKOJSA-N 2 1 315.461 2.013 10 0 DEAEMP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028400 424912727 /nfs/dbraw/zinc/91/27/27/424912727.db2.gz FAKPXAQLDKFVQP-HOTGVXAUSA-N 2 1 302.418 2.422 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028400 424912729 /nfs/dbraw/zinc/91/27/29/424912729.db2.gz FAKPXAQLDKFVQP-HOTGVXAUSA-N 2 1 302.418 2.422 10 0 DEAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000137111385 278972841 /nfs/dbraw/zinc/97/28/41/278972841.db2.gz LBCIXODEBOHKAJ-DLBZAZTESA-N 2 1 305.466 2.382 10 0 DEAEMP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248137036 279055773 /nfs/dbraw/zinc/05/57/73/279055773.db2.gz XQQYFKKXCTWFTE-AEFFLSMTSA-N 2 1 301.434 2.032 10 0 DEAEMP CC[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248137036 279055775 /nfs/dbraw/zinc/05/57/75/279055775.db2.gz XQQYFKKXCTWFTE-AEFFLSMTSA-N 2 1 301.434 2.032 10 0 DEAEMP CC[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CC1 ZINC000248137036 279055777 /nfs/dbraw/zinc/05/57/77/279055777.db2.gz XQQYFKKXCTWFTE-AEFFLSMTSA-N 2 1 301.434 2.032 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074492934 279332697 /nfs/dbraw/zinc/33/26/97/279332697.db2.gz GESXQMZGPVEJSR-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086789 281241671 /nfs/dbraw/zinc/24/16/71/281241671.db2.gz ULOVINYMXBVUDK-YJBOKZPZSA-N 2 1 316.449 2.040 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261641558 297357644 /nfs/dbraw/zinc/35/76/44/297357644.db2.gz CPTJCLRMKUBHRK-QKPAOTATSA-N 2 1 309.498 2.234 10 0 DEAEMP C[C@H](c1ccccn1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000157653798 526125705 /nfs/dbraw/zinc/12/57/05/526125705.db2.gz QFRGURQWOBMDCB-HRBLRVMOSA-N 2 1 314.477 2.385 10 0 DEAEMP C[C@H](c1ccccn1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000157653798 526125714 /nfs/dbraw/zinc/12/57/14/526125714.db2.gz QFRGURQWOBMDCB-HRBLRVMOSA-N 2 1 314.477 2.385 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](CC)[NH+]2CCCC2)C12CCOCC2 ZINC000248921567 535407600 /nfs/dbraw/zinc/40/76/00/535407600.db2.gz FDZPCJXFDFZXEN-GVDBMIGSSA-N 2 1 310.482 2.425 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000249088752 536354982 /nfs/dbraw/zinc/35/49/82/536354982.db2.gz NOZUPHJRWQJGSW-RTBURBONSA-N 2 1 323.525 2.030 10 0 DEAEMP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261881376 536652876 /nfs/dbraw/zinc/65/28/76/536652876.db2.gz FIEMAQJKRRKYLU-BRWVUGGUSA-N 2 1 304.434 2.250 10 0 DEAEMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262128009 536896542 /nfs/dbraw/zinc/89/65/42/536896542.db2.gz NJVCSYZXNMHJIY-MSOLQXFVSA-N 2 1 312.413 2.032 10 0 DEAEMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262128018 536896991 /nfs/dbraw/zinc/89/69/91/536896991.db2.gz NJVCSYZXNMHJIY-ZWKOTPCHSA-N 2 1 312.413 2.032 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000176073407 684332560 /nfs/dbraw/zinc/33/25/60/684332560.db2.gz BBZAVMCIXNCGMS-AWEZNQCLSA-N 2 1 304.438 2.260 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)C(C)(C)C1(C)C ZINC000176073407 684332561 /nfs/dbraw/zinc/33/25/61/684332561.db2.gz BBZAVMCIXNCGMS-AWEZNQCLSA-N 2 1 304.438 2.260 10 0 DEAEMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712606846 792194550 /nfs/dbraw/zinc/19/45/50/792194550.db2.gz FRZOTJCFOSNXAT-SFHVURJKSA-N 2 1 318.461 2.423 10 0 DEAEMP CNC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734590 793005171 /nfs/dbraw/zinc/00/51/71/793005171.db2.gz WEPXOBXBVZCEEM-UBDQQSCGSA-N 2 1 315.461 2.154 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000721944807 1085026234 /nfs/dbraw/zinc/02/62/34/1085026234.db2.gz UMTBYCFGXDIAMS-QKPAOTATSA-N 2 1 323.481 2.458 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748585 1086333673 /nfs/dbraw/zinc/33/36/73/1086333673.db2.gz BPULPXGLKFHHRV-KBXIAJHMSA-N 2 1 311.470 2.457 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748585 1086333686 /nfs/dbraw/zinc/33/36/86/1086333686.db2.gz BPULPXGLKFHHRV-KBXIAJHMSA-N 2 1 311.470 2.457 10 0 DEAEMP 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Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)OC(C)C)C2)[nH+]1 ZINC000173779660 198250498 /nfs/dbraw/zinc/25/04/98/198250498.db2.gz RLGZJVUWLNMISK-OAHLLOKOSA-N 2 1 305.422 2.466 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382701095 540123915 /nfs/dbraw/zinc/12/39/15/540123915.db2.gz MXSBTFYYHIETCR-KRWDZBQOSA-N 2 1 317.477 2.483 10 0 DEAEMP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000398050482 540140542 /nfs/dbraw/zinc/14/05/42/540140542.db2.gz WCVYPVIKWVAMQC-INIZCTEOSA-N 2 1 301.434 2.039 10 0 DEAEMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447552 283156883 /nfs/dbraw/zinc/15/68/83/283156883.db2.gz NXCVKRBBAVDROC-HOCLYGCPSA-N 2 1 323.481 2.483 10 0 DEAEMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000607671307 361103826 /nfs/dbraw/zinc/10/38/26/361103826.db2.gz DDUZNMSMGSXPRH-DZKIICNBSA-N 2 1 321.490 2.199 10 0 DEAEMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000607671307 361103831 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DEAEMP CC[N@@H+](CC(C)(C)O)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000092983420 193191918 /nfs/dbraw/zinc/19/19/18/193191918.db2.gz UIUKYSHEYZKYRT-UHFFFAOYSA-N 2 1 300.487 2.122 10 0 DEAEMP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000262297149 203252744 /nfs/dbraw/zinc/25/27/44/203252744.db2.gz JIBCGCKFPRPJEM-YOEHRIQHSA-N 2 1 307.438 2.440 10 0 DEAEMP CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)CC1CC[NH2+]CC1 ZINC000094024936 193339742 /nfs/dbraw/zinc/33/97/42/193339742.db2.gz LJFJINUEMWWIOX-ZDUSSCGKSA-N 2 1 309.479 2.247 10 0 DEAEMP CC[NH2+][C@@H]1[C@@H](C[N@@H+](CCOC)[C@@H](C)COC)CCC1(C)C ZINC000094317867 193359146 /nfs/dbraw/zinc/35/91/46/193359146.db2.gz CBYNDBZITDWERW-ARFHVFGLSA-N 2 1 300.487 2.384 10 0 DEAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638890 193388016 /nfs/dbraw/zinc/38/80/16/193388016.db2.gz MHXQFQDJTBRXAA-CVEARBPZSA-N 2 1 316.511 2.054 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489752 193373732 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CC(C)[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](C)CCOC(C)C ZINC000157771716 197214387 /nfs/dbraw/zinc/21/43/87/197214387.db2.gz CYVYITHVTSVHBH-IAGOWNOFSA-N 2 1 300.487 2.263 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245908790 285265117 /nfs/dbraw/zinc/26/51/17/285265117.db2.gz IOGDMYSUGLURDD-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCOCC2 ZINC000248998780 145175103 /nfs/dbraw/zinc/17/51/03/145175103.db2.gz PVBVGPOHFRUYPJ-VEDBGLOESA-N 2 1 308.466 2.175 10 0 DEAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000261620404 145211458 /nfs/dbraw/zinc/21/14/58/145211458.db2.gz CBDLDIHESAWQPE-UHFFFAOYSA-N 2 1 323.440 2.217 10 0 DEAEMP CC1(C)C[N@@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261811013 145229286 /nfs/dbraw/zinc/22/92/86/145229286.db2.gz WTYNGIRSHLXDLK-HNNXBMFYSA-N 2 1 323.868 2.406 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1cccc(F)c1 ZINC000261905698 145240541 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DEAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000261964870 145248003 /nfs/dbraw/zinc/24/80/03/145248003.db2.gz YHVGVMMTOJZVFQ-CSFVBSKPSA-N 2 1 319.424 2.062 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648668 147173462 /nfs/dbraw/zinc/17/34/62/147173462.db2.gz MSBDCVWUUWGYTM-DLBZAZTESA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648668 147173465 /nfs/dbraw/zinc/17/34/65/147173465.db2.gz MSBDCVWUUWGYTM-DLBZAZTESA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@@H]1C ZINC000358648668 147173466 /nfs/dbraw/zinc/17/34/66/147173466.db2.gz MSBDCVWUUWGYTM-DLBZAZTESA-N 2 1 322.497 2.153 10 0 DEAEMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)[NH+]1C ZINC000358672469 147178223 /nfs/dbraw/zinc/17/82/23/147178223.db2.gz ZRROCERYJACXMT-HZPDHXFCSA-N 2 1 315.461 2.447 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000129154736 401799705 /nfs/dbraw/zinc/79/97/05/401799705.db2.gz OYCDWPUIIJKQBS-DLBZAZTESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000129154736 401799708 /nfs/dbraw/zinc/79/97/08/401799708.db2.gz OYCDWPUIIJKQBS-DLBZAZTESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000129154736 401799710 /nfs/dbraw/zinc/79/97/10/401799710.db2.gz OYCDWPUIIJKQBS-DLBZAZTESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000076004618 401777463 /nfs/dbraw/zinc/77/74/63/401777463.db2.gz JIIBATPKPOPJLL-ROUUACIJSA-N 2 1 320.477 2.398 10 0 DEAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000076004618 401777466 /nfs/dbraw/zinc/77/74/66/401777466.db2.gz JIIBATPKPOPJLL-ROUUACIJSA-N 2 1 320.477 2.398 10 0 DEAEMP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH+](C)C ZINC000085362328 401914667 /nfs/dbraw/zinc/91/46/67/401914667.db2.gz CSJLHTPQEUGUCW-HNSVSWJLSA-N 2 1 324.513 2.277 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000122147446 402063725 /nfs/dbraw/zinc/06/37/25/402063725.db2.gz LFUKBRIIUKSAAX-LMPOIIKSSA-N 2 1 322.497 2.031 10 0 DEAEMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000124398365 402178289 /nfs/dbraw/zinc/17/82/89/402178289.db2.gz LFBUCOMOBFNXQX-SJORKVTESA-N 2 1 324.513 2.233 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000109752266 402275162 /nfs/dbraw/zinc/27/51/62/402275162.db2.gz FAUSTLJRFQJUQK-IBGZPJMESA-N 2 1 301.478 2.331 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000177333361 402392177 /nfs/dbraw/zinc/39/21/77/402392177.db2.gz XXEIFJPIQORUJE-OAHLLOKOSA-N 2 1 324.513 2.421 10 0 DEAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246099618 402510038 /nfs/dbraw/zinc/51/00/38/402510038.db2.gz HCIVTRSFWWNORE-BRWVUGGUSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247125275 402557435 /nfs/dbraw/zinc/55/74/35/402557435.db2.gz RZPBPZAVXDACLB-YLFCFFPRSA-N 2 1 322.497 2.127 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833473 402531129 /nfs/dbraw/zinc/53/11/29/402531129.db2.gz KYFGSLWHQRDITR-XHSDSOJGSA-N 2 1 324.513 2.088 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246472394 402532453 /nfs/dbraw/zinc/53/24/53/402532453.db2.gz VLQZBYIEUHHENU-YYIAUSFCSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246472394 402532455 /nfs/dbraw/zinc/53/24/55/402532455.db2.gz VLQZBYIEUHHENU-YYIAUSFCSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246472394 402532457 /nfs/dbraw/zinc/53/24/57/402532457.db2.gz VLQZBYIEUHHENU-YYIAUSFCSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560024 402595666 /nfs/dbraw/zinc/59/56/66/402595666.db2.gz JFKNBGKIDGOUHU-YQQAZPJKSA-N 2 1 312.498 2.405 10 0 DEAEMP COCC[N@H+](CCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261769325 402717132 /nfs/dbraw/zinc/71/71/32/402717132.db2.gz MNGSSAMAKQPGQG-KRWDZBQOSA-N 2 1 310.413 2.153 10 0 DEAEMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261769325 402717134 /nfs/dbraw/zinc/71/71/34/402717134.db2.gz MNGSSAMAKQPGQG-KRWDZBQOSA-N 2 1 310.413 2.153 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263306813 402757057 /nfs/dbraw/zinc/75/70/57/402757057.db2.gz XZKDYBWBZSBJHG-RDTXWAMCSA-N 2 1 316.376 2.288 10 0 DEAEMP Cc1nn2c(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333176201 403685815 /nfs/dbraw/zinc/68/58/15/403685815.db2.gz QYRSYXLXABYZCU-CMPLNLGQSA-N 2 1 307.467 2.310 10 0 DEAEMP CC(=O)[C@@](C)(O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000347752643 403846641 /nfs/dbraw/zinc/84/66/41/403846641.db2.gz KFQCTQIVIAKXCH-IBGZPJMESA-N 2 1 318.461 2.170 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369879608 404259750 /nfs/dbraw/zinc/25/97/50/404259750.db2.gz BOMZDVZBMJAJQS-SJORKVTESA-N 2 1 322.497 2.034 10 0 DEAEMP COc1cccc2c1ncc(C)c2N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000365293693 404604017 /nfs/dbraw/zinc/60/40/17/404604017.db2.gz UZNXPJVTYYYVMY-AWEZNQCLSA-N 2 1 313.401 2.073 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000414857270 404749967 /nfs/dbraw/zinc/74/99/67/404749967.db2.gz CHYDDTBYXMVUER-KURKYZTESA-N 2 1 302.466 2.072 10 0 DEAEMP c1nc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378953 405338215 /nfs/dbraw/zinc/33/82/15/405338215.db2.gz UURKKIMUMUCYKZ-HOTGVXAUSA-N 2 1 302.466 2.398 10 0 DEAEMP CC[C@@H]1C[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638723708 405636880 /nfs/dbraw/zinc/63/68/80/405636880.db2.gz VXIUOCBPOHVKCU-IAGOWNOFSA-N 2 1 315.461 2.285 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638835520 405703079 /nfs/dbraw/zinc/70/30/79/405703079.db2.gz MELRNTSSYHAFKV-AYBZRNKSSA-N 2 1 315.461 2.013 10 0 DEAEMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000638852527 405715571 /nfs/dbraw/zinc/71/55/71/405715571.db2.gz YCJHKXMOWFHFET-MSOLQXFVSA-N 2 1 315.461 2.299 10 0 DEAEMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000471770158 406117872 /nfs/dbraw/zinc/11/78/72/406117872.db2.gz MYJATBHOFWHJMC-HNNXBMFYSA-N 2 1 301.390 2.475 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724288 406248617 /nfs/dbraw/zinc/24/86/17/406248617.db2.gz NIFKNXAJBWHOMZ-QXAKKESOSA-N 2 1 320.477 2.130 10 0 DEAEMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918411 406454962 /nfs/dbraw/zinc/45/49/62/406454962.db2.gz IBRIRFVNDXTUMY-UHOSZYNNSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918411 406454964 /nfs/dbraw/zinc/45/49/64/406454964.db2.gz IBRIRFVNDXTUMY-UHOSZYNNSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918411 406454967 /nfs/dbraw/zinc/45/49/67/406454967.db2.gz IBRIRFVNDXTUMY-UHOSZYNNSA-N 3 1 301.478 2.486 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000129209405 196029597 /nfs/dbraw/zinc/02/95/97/196029597.db2.gz MKVKCFXQPBVZSZ-IKGGRYGDSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC000129209405 196029600 /nfs/dbraw/zinc/02/96/00/196029600.db2.gz MKVKCFXQPBVZSZ-IKGGRYGDSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC000129209405 196029602 /nfs/dbraw/zinc/02/96/02/196029602.db2.gz MKVKCFXQPBVZSZ-IKGGRYGDSA-N 2 1 324.513 2.233 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000130810442 196112460 /nfs/dbraw/zinc/11/24/60/196112460.db2.gz FANPFGXNCCGHGX-HNNXBMFYSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000130810442 196112462 /nfs/dbraw/zinc/11/24/62/196112462.db2.gz FANPFGXNCCGHGX-HNNXBMFYSA-N 2 1 311.832 2.477 10 0 DEAEMP c1ccc(C[N@@H+](CCOCC2CC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261660460 225253525 /nfs/dbraw/zinc/25/35/25/225253525.db2.gz NRMGPZBOYDVYQQ-GOSISDBHSA-N 2 1 303.450 2.452 10 0 DEAEMP c1ccc(C[N@H+](CCOCC2CC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261660460 225253529 /nfs/dbraw/zinc/25/35/29/225253529.db2.gz NRMGPZBOYDVYQQ-GOSISDBHSA-N 2 1 303.450 2.452 10 0 DEAEMP c1ccc(-c2noc(CCC[NH+]3CCC4(CC[NH2+]4)CC3)n2)cc1 ZINC000422625674 230158593 /nfs/dbraw/zinc/15/85/93/230158593.db2.gz CHMGMALVWDMZCL-UHFFFAOYSA-N 2 1 312.417 2.497 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404327777 424926647 /nfs/dbraw/zinc/92/66/47/424926647.db2.gz WWQUTZLZERHSQM-SJLPKXTDSA-N 2 1 317.477 2.484 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303208610 424892719 /nfs/dbraw/zinc/89/27/19/424892719.db2.gz XQQUKJDWEHMDID-BZSNNMDCSA-N 2 1 315.461 2.142 10 0 DEAEMP c1ccc(C[N@H+]2CCCO[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619066 269098109 /nfs/dbraw/zinc/09/81/09/269098109.db2.gz YZNGCNAMQAKGEA-OALUTQOASA-N 2 1 317.477 2.009 10 0 DEAEMP c1ccc(CN2CCCO[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619066 269098111 /nfs/dbraw/zinc/09/81/11/269098111.db2.gz YZNGCNAMQAKGEA-OALUTQOASA-N 2 1 317.477 2.009 10 0 DEAEMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261969975 276055539 /nfs/dbraw/zinc/05/55/39/276055539.db2.gz PYAFPQCNGGDNGC-OAHLLOKOSA-N 2 1 303.450 2.235 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000358657459 276182161 /nfs/dbraw/zinc/18/21/61/276182161.db2.gz COSLVXOFFINKPG-KRWDZBQOSA-N 2 1 322.497 2.058 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCOCC2 ZINC000186220390 276351612 /nfs/dbraw/zinc/35/16/12/276351612.db2.gz KGWONEBAEQDKCS-DLBZAZTESA-N 2 1 308.466 2.177 10 0 DEAEMP COc1cccc([C@H](C)[NH+]2CCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114012 278021210 /nfs/dbraw/zinc/02/12/10/278021210.db2.gz WRYZZXLSHADQIF-QFBILLFUSA-N 2 1 317.477 2.373 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246410845 279333235 /nfs/dbraw/zinc/33/32/35/279333235.db2.gz SAGFMAHGHWERFH-IKGGRYGDSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246410845 279333236 /nfs/dbraw/zinc/33/32/36/279333236.db2.gz SAGFMAHGHWERFH-IKGGRYGDSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246410845 279333238 /nfs/dbraw/zinc/33/32/38/279333238.db2.gz SAGFMAHGHWERFH-IKGGRYGDSA-N 2 1 322.497 2.127 10 0 DEAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000174583504 289315453 /nfs/dbraw/zinc/31/54/53/289315453.db2.gz FCKXKICYNHJOEE-QZTJIDSGSA-N 2 1 315.461 2.204 10 0 DEAEMP C[N@H+]1CCN(C(=O)c2ccc(C[NH3+])cc2)C2(CCCCC2)C1 ZINC000237199542 290030492 /nfs/dbraw/zinc/03/04/92/290030492.db2.gz YGBXOEGQVGMUGW-UHFFFAOYSA-N 2 1 301.434 2.236 10 0 DEAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000170794129 297018320 /nfs/dbraw/zinc/01/83/20/297018320.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000170794129 297018321 /nfs/dbraw/zinc/01/83/21/297018321.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000170794129 297018322 /nfs/dbraw/zinc/01/83/22/297018322.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 2 1 309.498 2.046 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194726011 293655559 /nfs/dbraw/zinc/65/55/59/293655559.db2.gz UNWYNCZVGWNULU-QGZVFWFLSA-N 2 1 316.449 2.057 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105241777 521645958 /nfs/dbraw/zinc/64/59/58/521645958.db2.gz AXGGAXMOIRAHFU-QGZVFWFLSA-N 2 1 324.513 2.378 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000246188785 527440172 /nfs/dbraw/zinc/44/01/72/527440172.db2.gz CXKYGYZPSWPXPL-PVAVHDDUSA-N 2 1 318.465 2.208 10 0 DEAEMP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000262019301 535488927 /nfs/dbraw/zinc/48/89/27/535488927.db2.gz WLGMLZUXDNTTEY-BBWFWOEESA-N 2 1 310.482 2.330 10 0 DEAEMP COc1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262128014 536897076 /nfs/dbraw/zinc/89/70/76/536897076.db2.gz NJVCSYZXNMHJIY-ROUUACIJSA-N 2 1 312.413 2.032 10 0 DEAEMP CN1CCC[NH+]=C1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379702966 685392491 /nfs/dbraw/zinc/39/24/91/685392491.db2.gz AMMPVKZMQLPVIE-QGZVFWFLSA-N 2 1 300.450 2.322 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000397729194 790213446 /nfs/dbraw/zinc/21/34/46/790213446.db2.gz DNHLZIUXJKHCNR-LSDHHAIUSA-N 2 1 309.454 2.070 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000397729194 790213450 /nfs/dbraw/zinc/21/34/50/790213450.db2.gz DNHLZIUXJKHCNR-LSDHHAIUSA-N 2 1 309.454 2.070 10 0 DEAEMP COCC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619792 792979161 /nfs/dbraw/zinc/97/91/61/792979161.db2.gz HWCXXLAXXNRPHY-VJANTYMQSA-N 2 1 318.461 2.027 10 0 DEAEMP C[NH+]1CCC([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000404567947 802024348 /nfs/dbraw/zinc/02/43/48/802024348.db2.gz FBUXBMALCRNFPC-UHFFFAOYSA-N 2 1 311.470 2.365 10 0 DEAEMP CCO[C@@H]1C[N@@H+](C[C@@H](C)COCc2ccccc2)C[C@H]1C[NH3+] ZINC000719396200 1089084591 /nfs/dbraw/zinc/08/45/91/1089084591.db2.gz FKYVJWYVLSCRTE-KBAYOESNSA-N 2 1 306.450 2.135 10 0 DEAEMP C[NH2+]CCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000719690086 1092457818 /nfs/dbraw/zinc/45/78/18/1092457818.db2.gz GRXBTFKVGLPROH-GOSISDBHSA-N 2 1 317.477 2.405 10 0 DEAEMP FC(F)(F)C1CC[NH+](C[C@]2(C[NH2+]C3CC3)CCOC2)CC1 ZINC000088436679 185250347 /nfs/dbraw/zinc/25/03/47/185250347.db2.gz RBOXIBWZTKBQAS-CQSZACIVSA-N 2 1 306.372 2.419 10 0 DEAEMP C[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000090438880 185296507 /nfs/dbraw/zinc/29/65/07/185296507.db2.gz JNAJQKVHBJYAEQ-CABZTGNLSA-N 2 1 319.268 2.177 10 0 DEAEMP C[NH2+][C@H]1COC[C@@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000090438880 185296508 /nfs/dbraw/zinc/29/65/08/185296508.db2.gz JNAJQKVHBJYAEQ-CABZTGNLSA-N 2 1 319.268 2.177 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1C[NH2+]C ZINC000092633210 185330440 /nfs/dbraw/zinc/33/04/40/185330440.db2.gz DFGJESJKXKHLAX-GFCCVEGCSA-N 2 1 307.467 2.036 10 0 DEAEMP CC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149610627 186051355 /nfs/dbraw/zinc/05/13/55/186051355.db2.gz OTDKRTUKDLUZSO-IAGOWNOFSA-N 2 1 309.885 2.497 10 0 DEAEMP C[C@@]1(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC000121465735 355797244 /nfs/dbraw/zinc/79/72/44/355797244.db2.gz VRZOKDOZUYLEMP-IBGZPJMESA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@@]1(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[NH2+]1 ZINC000121465735 355797249 /nfs/dbraw/zinc/79/72/49/355797249.db2.gz VRZOKDOZUYLEMP-IBGZPJMESA-N 2 1 315.461 2.252 10 0 DEAEMP C[N@@H+](C[C@@H](C(N)=S)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000080797768 192191608 /nfs/dbraw/zinc/19/16/08/192191608.db2.gz FBOFPZCYNGMKMB-MRXNPFEDSA-N 2 1 305.491 2.330 10 0 DEAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262655641 356343108 /nfs/dbraw/zinc/34/31/08/356343108.db2.gz CNGXBZDAGKWUDJ-YOEHRIQHSA-N 2 1 303.450 2.270 10 0 DEAEMP Cn1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C(C)(C)C)n1 ZINC000275470569 212353216 /nfs/dbraw/zinc/35/32/16/212353216.db2.gz HRIIZCBWQIEDIX-CYBMUJFWSA-N 2 1 301.438 2.266 10 0 DEAEMP C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631844271 368421203 /nfs/dbraw/zinc/42/12/03/368421203.db2.gz WDHIKHNDPWZWOL-NWDGAFQWSA-N 2 1 313.239 2.355 10 0 DEAEMP C[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596099 193270992 /nfs/dbraw/zinc/27/09/92/193270992.db2.gz AXJVCBISPJOTNW-YPMHNXCESA-N 2 1 310.360 2.192 10 0 DEAEMP C[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596099 193270993 /nfs/dbraw/zinc/27/09/93/193270993.db2.gz AXJVCBISPJOTNW-YPMHNXCESA-N 2 1 310.360 2.192 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782961 193307753 /nfs/dbraw/zinc/30/77/53/193307753.db2.gz XGYWVPLAKISYGJ-IAGOWNOFSA-N 2 1 300.487 2.264 10 0 DEAEMP C[NH2+][C@@H]1CCCc2nc(N3CC[N@H+]4CCCC[C@@H]4C3)sc21 ZINC000094444105 193369954 /nfs/dbraw/zinc/36/99/54/193369954.db2.gz NFNDNPGDWPLXLB-CHWSQXEVSA-N 2 1 306.479 2.414 10 0 DEAEMP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383342 245104134 /nfs/dbraw/zinc/10/41/34/245104134.db2.gz SMFNWWREVXMGTH-LEUOFYLZSA-N 2 1 315.461 2.296 10 0 DEAEMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000457513838 247845038 /nfs/dbraw/zinc/84/50/38/247845038.db2.gz FILWICFZGNXELR-KRWDZBQOSA-N 2 1 318.465 2.306 10 0 DEAEMP C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000043284395 183350291 /nfs/dbraw/zinc/35/02/91/183350291.db2.gz UVZPUVAQXAQHLZ-SKDRFNHKSA-N 2 1 318.284 2.146 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000104773249 194037088 /nfs/dbraw/zinc/03/70/88/194037088.db2.gz RJIADYCLNIBHPZ-HNNXBMFYSA-N 2 1 310.486 2.034 10 0 DEAEMP C[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104773249 194037090 /nfs/dbraw/zinc/03/70/90/194037090.db2.gz RJIADYCLNIBHPZ-HNNXBMFYSA-N 2 1 310.486 2.034 10 0 DEAEMP C[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104773249 194037092 /nfs/dbraw/zinc/03/70/92/194037092.db2.gz RJIADYCLNIBHPZ-HNNXBMFYSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@H](c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@H+]1C)N1CC[NH2+]CC1 ZINC000109472469 194267499 /nfs/dbraw/zinc/26/74/99/194267499.db2.gz OUGDXGSIHQZEDU-IACUBPJLSA-N 2 1 306.479 2.191 10 0 DEAEMP CC[NH2+]Cc1sc(N2CCC[N@H+]3CCC[C@@H]3C2)nc1CC ZINC000062942724 184261867 /nfs/dbraw/zinc/26/18/67/184261867.db2.gz OVMMDPWINODIIO-CYBMUJFWSA-N 2 1 308.495 2.490 10 0 DEAEMP C[C@@H](CC(N)=[NH2+])[N@H+](C)CCOc1cccc(Br)c1 ZINC000063092280 184270124 /nfs/dbraw/zinc/27/01/24/184270124.db2.gz PTYJZTITADTDIE-JTQLQIEISA-N 2 1 314.227 2.474 10 0 DEAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CCOc1cccc(Br)c1 ZINC000063092280 184270127 /nfs/dbraw/zinc/27/01/27/184270127.db2.gz PTYJZTITADTDIE-JTQLQIEISA-N 2 1 314.227 2.474 10 0 DEAEMP CC[N@@H+](C)CCn1c(N)[nH+]c2cc(F)c(Br)cc21 ZINC000158419131 197270687 /nfs/dbraw/zinc/27/06/87/197270687.db2.gz BUVZVOIKUFLFFU-UHFFFAOYSA-N 2 1 315.190 2.472 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245665502 285285768 /nfs/dbraw/zinc/28/57/68/285285768.db2.gz DTGIJHDXPMPGTF-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000685943464 542768549 /nfs/dbraw/zinc/76/85/49/542768549.db2.gz XEVLXNRGAJMTGW-IRXDYDNUSA-N 2 1 324.428 2.385 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358200429 133127828 /nfs/dbraw/zinc/12/78/28/133127828.db2.gz ZZTDBNFUERSRMD-IAGOWNOFSA-N 2 1 322.497 2.201 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358200429 133127829 /nfs/dbraw/zinc/12/78/29/133127829.db2.gz ZZTDBNFUERSRMD-IAGOWNOFSA-N 2 1 322.497 2.201 10 0 DEAEMP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703254 133246402 /nfs/dbraw/zinc/24/64/02/133246402.db2.gz PSHRBWKSGOPLCS-PKOBYXMFSA-N 2 1 301.478 2.187 10 0 DEAEMP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973463 292123963 /nfs/dbraw/zinc/12/39/63/292123963.db2.gz GSAHWVJWDOYIJA-SFHVURJKSA-N 2 1 300.450 2.257 10 0 DEAEMP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973463 292123964 /nfs/dbraw/zinc/12/39/64/292123964.db2.gz GSAHWVJWDOYIJA-SFHVURJKSA-N 2 1 300.450 2.257 10 0 DEAEMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247970511 145145617 /nfs/dbraw/zinc/14/56/17/145145617.db2.gz HGZNUFKPCSAOFW-MAUKXSAKSA-N 2 1 304.434 2.490 10 0 DEAEMP COc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247970511 145145618 /nfs/dbraw/zinc/14/56/18/145145618.db2.gz HGZNUFKPCSAOFW-MAUKXSAKSA-N 2 1 304.434 2.490 10 0 DEAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261722319 145220616 /nfs/dbraw/zinc/22/06/16/145220616.db2.gz LQLGKCKRCANCGX-TXEJJXNPSA-N 2 1 305.397 2.283 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261926937 145242459 /nfs/dbraw/zinc/24/24/59/145242459.db2.gz LFHALFCLUMGEMT-UAGQMJEPSA-N 2 1 322.424 2.471 10 0 DEAEMP C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000261950574 145246087 /nfs/dbraw/zinc/24/60/87/145246087.db2.gz KBBGABZAELYDTP-YOEHRIQHSA-N 2 1 315.461 2.019 10 0 DEAEMP C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000261950574 145246088 /nfs/dbraw/zinc/24/60/88/145246088.db2.gz KBBGABZAELYDTP-YOEHRIQHSA-N 2 1 315.461 2.019 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC000262036131 145255334 /nfs/dbraw/zinc/25/53/34/145255334.db2.gz XZXPRSJQZINOFN-VVLHAWIVSA-N 2 1 323.506 2.098 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000247564871 297093960 /nfs/dbraw/zinc/09/39/60/297093960.db2.gz VKDIEMZWQDBXAL-BZUAXINKSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073722621 401720523 /nfs/dbraw/zinc/72/05/23/401720523.db2.gz VFPABFYCNGMQIQ-YNBOMUFVSA-N 2 1 324.513 2.277 10 0 DEAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000114453838 401799637 /nfs/dbraw/zinc/79/96/37/401799637.db2.gz MCJLAMUMQXKNBD-UHFFFAOYSA-N 2 1 321.440 2.247 10 0 DEAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000114453838 401799640 /nfs/dbraw/zinc/79/96/40/401799640.db2.gz MCJLAMUMQXKNBD-UHFFFAOYSA-N 2 1 321.440 2.247 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113231448 401771298 /nfs/dbraw/zinc/77/12/98/401771298.db2.gz STNDPNAHEWOQOP-WMLDXEAASA-N 2 1 301.434 2.057 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000089633102 401954799 /nfs/dbraw/zinc/95/47/99/401954799.db2.gz RHTMOVXOFDGJAB-QWHCGFSZSA-N 2 1 321.446 2.264 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000121082707 402014132 /nfs/dbraw/zinc/01/41/32/402014132.db2.gz FLLCKASCHDJIRJ-CYBMUJFWSA-N 2 1 312.404 2.489 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497296 402043039 /nfs/dbraw/zinc/04/30/39/402043039.db2.gz GEQZDNUDEHNVQP-CYBMUJFWSA-N 2 1 310.486 2.079 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123608814 402137839 /nfs/dbraw/zinc/13/78/39/402137839.db2.gz ABARQJLBKWJTRM-RDJZCZTQSA-N 2 1 324.513 2.136 10 0 DEAEMP CC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128318 402212709 /nfs/dbraw/zinc/21/27/09/402212709.db2.gz QQQUWEONJFNDJN-IBGZPJMESA-N 2 1 318.461 2.343 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176139617 402282585 /nfs/dbraw/zinc/28/25/85/402282585.db2.gz SUZSQFKDQBPURO-INIZCTEOSA-N 2 1 312.502 2.231 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000176278119 402296155 /nfs/dbraw/zinc/29/61/55/402296155.db2.gz ZHGWEIBGFARXDE-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CCOCCN1CC[N@@H+](CCCCn2ccnc2C)C[C@@H]1C ZINC000161676704 402395224 /nfs/dbraw/zinc/39/52/24/402395224.db2.gz BFIVQIRVEMEMKJ-INIZCTEOSA-N 2 1 308.470 2.014 10 0 DEAEMP CCOCCN1CC[N@H+](CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000161676704 402395225 /nfs/dbraw/zinc/39/52/25/402395225.db2.gz BFIVQIRVEMEMKJ-INIZCTEOSA-N 2 1 308.470 2.014 10 0 DEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCn1cc[nH+]c1C ZINC000177545091 402414636 /nfs/dbraw/zinc/41/46/36/402414636.db2.gz BYKZZNSUFXHSSJ-MRXNPFEDSA-N 2 1 321.469 2.097 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCCn1cc[nH+]c1C ZINC000177545091 402414641 /nfs/dbraw/zinc/41/46/41/402414641.db2.gz BYKZZNSUFXHSSJ-MRXNPFEDSA-N 2 1 321.469 2.097 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000245444272 402461039 /nfs/dbraw/zinc/46/10/39/402461039.db2.gz XYCRNLQACXSKQO-MSOLQXFVSA-N 2 1 315.461 2.447 10 0 DEAEMP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245681296 402478655 /nfs/dbraw/zinc/47/86/55/402478655.db2.gz VGZVNMNPEHEAOQ-IRXDYDNUSA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245681296 402478656 /nfs/dbraw/zinc/47/86/56/402478656.db2.gz VGZVNMNPEHEAOQ-IRXDYDNUSA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245681296 402478657 /nfs/dbraw/zinc/47/86/57/402478657.db2.gz VGZVNMNPEHEAOQ-IRXDYDNUSA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000246721414 402542021 /nfs/dbraw/zinc/54/20/21/402542021.db2.gz YSJAVPPKEXXTBQ-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246721414 402542024 /nfs/dbraw/zinc/54/20/24/402542024.db2.gz YSJAVPPKEXXTBQ-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246721414 402542026 /nfs/dbraw/zinc/54/20/26/402542026.db2.gz YSJAVPPKEXXTBQ-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246961062 402550920 /nfs/dbraw/zinc/55/09/20/402550920.db2.gz BQVHZRMLNLMZTC-WMZOPIPTSA-N 2 1 317.477 2.150 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246961062 402550922 /nfs/dbraw/zinc/55/09/22/402550922.db2.gz BQVHZRMLNLMZTC-WMZOPIPTSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178688083 402526416 /nfs/dbraw/zinc/52/64/16/402526416.db2.gz WAFOKBIQKUUCJH-SJORKVTESA-N 2 1 324.513 2.234 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246438844 402531456 /nfs/dbraw/zinc/53/14/56/402531456.db2.gz KAZLWPJOGCMSCX-OWCLPIDISA-N 2 1 310.486 2.033 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000246485677 402533151 /nfs/dbraw/zinc/53/31/51/402533151.db2.gz VZBFWJTWFZYXCJ-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000246485677 402533153 /nfs/dbraw/zinc/53/31/53/402533153.db2.gz VZBFWJTWFZYXCJ-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000246485677 402533157 /nfs/dbraw/zinc/53/31/57/402533157.db2.gz VZBFWJTWFZYXCJ-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)CC1 ZINC000179518060 402592562 /nfs/dbraw/zinc/59/25/62/402592562.db2.gz GVHRIISLTPBHSQ-HNNXBMFYSA-N 2 1 322.497 2.163 10 0 DEAEMP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000247855783 402576900 /nfs/dbraw/zinc/57/69/00/402576900.db2.gz XZKPBOPYTUYKHC-BBWFWOEESA-N 2 1 303.450 2.278 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000249611342 402636857 /nfs/dbraw/zinc/63/68/57/402636857.db2.gz LAWVYGARWPNGLL-ZIAGYGMSSA-N 2 1 324.494 2.134 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccco2)N(C)C)CC[N@H+]1C ZINC000252537987 402658446 /nfs/dbraw/zinc/65/84/46/402658446.db2.gz BWXKWESOHQCYLS-QLFBSQMISA-N 2 1 322.453 2.006 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000252537987 402658450 /nfs/dbraw/zinc/65/84/50/402658450.db2.gz BWXKWESOHQCYLS-QLFBSQMISA-N 2 1 322.453 2.006 10 0 DEAEMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262041733 402721912 /nfs/dbraw/zinc/72/19/12/402721912.db2.gz YINAKZVMODDSIK-XIRDDKMYSA-N 2 1 308.466 2.430 10 0 DEAEMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262041733 402721913 /nfs/dbraw/zinc/72/19/13/402721913.db2.gz YINAKZVMODDSIK-XIRDDKMYSA-N 2 1 308.466 2.430 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213523 402672826 /nfs/dbraw/zinc/67/28/26/402672826.db2.gz XEKFLBLKRPFXGT-LSDHHAIUSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213523 402672828 /nfs/dbraw/zinc/67/28/28/402672828.db2.gz XEKFLBLKRPFXGT-LSDHHAIUSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182213523 402672830 /nfs/dbraw/zinc/67/28/30/402672830.db2.gz XEKFLBLKRPFXGT-LSDHHAIUSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182213523 402672833 /nfs/dbraw/zinc/67/28/33/402672833.db2.gz XEKFLBLKRPFXGT-LSDHHAIUSA-N 2 1 320.433 2.267 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000173471470 402698791 /nfs/dbraw/zinc/69/87/91/402698791.db2.gz XYCRNLQACXSKQO-QZTJIDSGSA-N 2 1 315.461 2.447 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000174164056 402729550 /nfs/dbraw/zinc/72/95/50/402729550.db2.gz GTLVTKAHVFDSOB-GDBMZVCRSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000194134798 402784938 /nfs/dbraw/zinc/78/49/38/402784938.db2.gz ACJTZDDCHAAZGK-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000194134798 402784939 /nfs/dbraw/zinc/78/49/39/402784939.db2.gz ACJTZDDCHAAZGK-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000194134798 402784943 /nfs/dbraw/zinc/78/49/43/402784943.db2.gz ACJTZDDCHAAZGK-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000194137045 402785678 /nfs/dbraw/zinc/78/56/78/402785678.db2.gz LAWVYGARWPNGLL-KGLIPLIRSA-N 2 1 324.494 2.134 10 0 DEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767671 403111984 /nfs/dbraw/zinc/11/19/84/403111984.db2.gz RAOJHBZOBSPHBA-DOTOQJQBSA-N 2 1 317.477 2.401 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767671 403111986 /nfs/dbraw/zinc/11/19/86/403111986.db2.gz RAOJHBZOBSPHBA-DOTOQJQBSA-N 2 1 317.477 2.401 10 0 DEAEMP Cc1nocc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000293644977 403528120 /nfs/dbraw/zinc/52/81/20/403528120.db2.gz RXGDIRIOMOLXLW-UHFFFAOYSA-N 2 1 301.394 2.148 10 0 DEAEMP CO[C@]12CC[N@@H+](Cc3cc(C[NH+](C)C)cs3)[C@H]1C[C@H](O)CC2 ZINC000299800062 403578700 /nfs/dbraw/zinc/57/87/00/403578700.db2.gz VHNXDTCIHHZASP-HYVNUMGLSA-N 2 1 324.490 2.314 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]21 ZINC000333580338 403785199 /nfs/dbraw/zinc/78/51/99/403785199.db2.gz UDMZKEKVZWHMBJ-QLFBSQMISA-N 2 1 301.438 2.031 10 0 DEAEMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247011833 289379188 /nfs/dbraw/zinc/37/91/88/289379188.db2.gz LIKSNCNISWVQCB-BWNFHQQQSA-N 2 1 322.497 2.174 10 0 DEAEMP COCC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361487898 405096565 /nfs/dbraw/zinc/09/65/65/405096565.db2.gz WRBQLEHPHMZJDR-UHOSZYNNSA-N 2 1 320.477 2.274 10 0 DEAEMP C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]21 ZINC000453032097 405277645 /nfs/dbraw/zinc/27/76/45/405277645.db2.gz IXGXCIHCKFSQOL-MSOLQXFVSA-N 2 1 313.445 2.059 10 0 DEAEMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639106904 405885886 /nfs/dbraw/zinc/88/58/86/405885886.db2.gz XBHVYBQOEYMRBM-RBUKOAKNSA-N 2 1 318.461 2.436 10 0 DEAEMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639106904 405885891 /nfs/dbraw/zinc/88/58/91/405885891.db2.gz XBHVYBQOEYMRBM-RBUKOAKNSA-N 2 1 318.461 2.436 10 0 DEAEMP c1c(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ncccn12 ZINC000459500188 405931217 /nfs/dbraw/zinc/93/12/17/405931217.db2.gz FYDLPGQXQORCJD-QGZVFWFLSA-N 2 1 321.428 2.341 10 0 DEAEMP CCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637871665 406456203 /nfs/dbraw/zinc/45/62/03/406456203.db2.gz SVMUQHVRTNJNPV-UHFFFAOYSA-N 2 1 303.450 2.286 10 0 DEAEMP [NH3+]C1(CC(=O)N[C@@H]2CC23CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000638366362 406727345 /nfs/dbraw/zinc/72/73/45/406727345.db2.gz HLEJCCVBPRACLJ-MRXNPFEDSA-N 2 1 313.445 2.039 10 0 DEAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000131646570 196187237 /nfs/dbraw/zinc/18/72/37/196187237.db2.gz MFOXDLHTQMEUMX-HZSPNIEDSA-N 2 1 307.463 2.081 10 0 DEAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000131646570 196187238 /nfs/dbraw/zinc/18/72/38/196187238.db2.gz MFOXDLHTQMEUMX-HZSPNIEDSA-N 2 1 307.463 2.081 10 0 DEAEMP CC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847458 269085982 /nfs/dbraw/zinc/08/59/82/269085982.db2.gz SDLGRHXFWFHVNE-MAUKXSAKSA-N 2 1 303.450 2.013 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247223727 276040870 /nfs/dbraw/zinc/04/08/70/276040870.db2.gz YTUHVZFATBMZEQ-DZKIICNBSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247223727 276040871 /nfs/dbraw/zinc/04/08/71/276040871.db2.gz YTUHVZFATBMZEQ-DZKIICNBSA-N 2 1 306.454 2.349 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000120025011 279097934 /nfs/dbraw/zinc/09/79/34/279097934.db2.gz KHLSCBYYJKZKHF-MRXNPFEDSA-N 2 1 312.502 2.138 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000249291212 281245398 /nfs/dbraw/zinc/24/53/98/281245398.db2.gz MKTBBXLYOJNYQH-STQMWFEESA-N 2 1 317.355 2.437 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000185188007 297257388 /nfs/dbraw/zinc/25/73/88/297257388.db2.gz KQJGEEVUOICQQM-CVEARBPZSA-N 2 1 324.513 2.233 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262678358 535139313 /nfs/dbraw/zinc/13/93/13/535139313.db2.gz URCJTKWSGVGMJM-VQHPVUNQSA-N 2 1 307.482 2.001 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000358198175 535264944 /nfs/dbraw/zinc/26/49/44/535264944.db2.gz XIAHTQCVOGRVCK-QGZVFWFLSA-N 2 1 322.497 2.012 10 0 DEAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000358198175 535264946 /nfs/dbraw/zinc/26/49/46/535264946.db2.gz XIAHTQCVOGRVCK-QGZVFWFLSA-N 2 1 322.497 2.012 10 0 DEAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000358198175 535264952 /nfs/dbraw/zinc/26/49/52/535264952.db2.gz XIAHTQCVOGRVCK-QGZVFWFLSA-N 2 1 322.497 2.012 10 0 DEAEMP Cn1ncc(Br)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453600180 536339259 /nfs/dbraw/zinc/33/92/59/536339259.db2.gz RRCIYQBVDBAOFX-UHFFFAOYSA-N 2 1 315.259 2.147 10 0 DEAEMP C[N@@H+](CCN(Cc1ccccc1)C(=O)C[NH3+])Cc1ccccc1 ZINC000237133210 636696788 /nfs/dbraw/zinc/69/67/88/636696788.db2.gz BYAJRBFPOYZYKQ-UHFFFAOYSA-N 2 1 311.429 2.106 10 0 DEAEMP CC[NH2+]CC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000712423257 792187612 /nfs/dbraw/zinc/18/76/12/792187612.db2.gz MGJHHOXTOJNWFS-UHFFFAOYSA-N 2 1 315.259 2.004 10 0 DEAEMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000713002854 792212488 /nfs/dbraw/zinc/21/24/88/792212488.db2.gz JAFFRARIHGMYSX-QGZVFWFLSA-N 2 1 317.477 2.340 10 0 DEAEMP CCN(C)C(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731287 793003565 /nfs/dbraw/zinc/00/35/65/793003565.db2.gz CPVUPBUTDZYXJQ-BZSNNMDCSA-N 2 1 315.461 2.107 10 0 DEAEMP CCN(C)C(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716731287 793003578 /nfs/dbraw/zinc/00/35/78/793003578.db2.gz CPVUPBUTDZYXJQ-BZSNNMDCSA-N 2 1 315.461 2.107 10 0 DEAEMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000717518266 799419235 /nfs/dbraw/zinc/41/92/35/799419235.db2.gz CIMILOUGZUZMFX-UHFFFAOYSA-N 2 1 315.461 2.094 10 0 DEAEMP [NH3+]C[C@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000720844121 1086289013 /nfs/dbraw/zinc/28/90/13/1086289013.db2.gz IBTSFAOYKRAANH-KBPBESRZSA-N 2 1 302.340 2.272 10 0 DEAEMP [NH3+]C[C@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000720844121 1086289035 /nfs/dbraw/zinc/28/90/35/1086289035.db2.gz IBTSFAOYKRAANH-KBPBESRZSA-N 2 1 302.340 2.272 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000709521440 1086682939 /nfs/dbraw/zinc/68/29/39/1086682939.db2.gz MELRNTSSYHAFKV-IEZWGBDMSA-N 2 1 315.461 2.013 10 0 DEAEMP C[N@@H+](CCCCCC[NH3+])CCCN1C(=O)c2ccccc2C1=O ZINC000710750518 1086689250 /nfs/dbraw/zinc/68/92/50/1086689250.db2.gz MIZSTNOPRCEAMP-UHFFFAOYSA-N 2 1 317.433 2.124 10 0 DEAEMP C[C@H](CCNC(=O)[C@H]1C[NH2+]CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000711224120 1087022985 /nfs/dbraw/zinc/02/29/85/1087022985.db2.gz LFANVUKHMWTFKL-NVXWUHKLSA-N 2 1 317.477 2.259 10 0 DEAEMP FC(F)(F)C(F)(F)OCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000720251008 1089538927 /nfs/dbraw/zinc/53/89/27/1089538927.db2.gz SGOKXLDDNCZLEX-UHFFFAOYSA-N 2 1 302.287 2.375 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCN(C(C)C)C1=O ZINC000178288969 282217732 /nfs/dbraw/zinc/21/77/32/282217732.db2.gz WQSGLMIORYSFER-HZPDHXFCSA-N 2 1 304.438 2.055 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCCN(C(C)C)C1=O ZINC000178288969 282217733 /nfs/dbraw/zinc/21/77/33/282217733.db2.gz WQSGLMIORYSFER-HZPDHXFCSA-N 2 1 304.438 2.055 10 0 DEAEMP C[N@@H+](Cc1cccc(Br)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606699 185306404 /nfs/dbraw/zinc/30/64/04/185306404.db2.gz DVEKDOFQFMFVNF-UONOGXRCSA-N 2 1 313.239 2.245 10 0 DEAEMP CCC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000236790926 202010486 /nfs/dbraw/zinc/01/04/86/202010486.db2.gz SURFCQUGNYMIQS-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP CCC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000236790926 202010490 /nfs/dbraw/zinc/01/04/90/202010490.db2.gz SURFCQUGNYMIQS-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447549 283156781 /nfs/dbraw/zinc/15/67/81/283156781.db2.gz NXCVKRBBAVDROC-GDBMZVCRSA-N 2 1 323.481 2.483 10 0 DEAEMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400474685 283157660 /nfs/dbraw/zinc/15/76/60/283157660.db2.gz ZHSWEZWMJXQQBZ-QFHJOOASSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000400474685 283157663 /nfs/dbraw/zinc/15/76/63/283157663.db2.gz ZHSWEZWMJXQQBZ-QFHJOOASSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400474685 283157669 /nfs/dbraw/zinc/15/76/69/283157669.db2.gz ZHSWEZWMJXQQBZ-QFHJOOASSA-N 2 1 301.478 2.485 10 0 DEAEMP C[N@@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000309536882 356410569 /nfs/dbraw/zinc/41/05/69/356410569.db2.gz IREPTVFCRVHZAA-KRWDZBQOSA-N 2 1 303.450 2.014 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000193376243 201041296 /nfs/dbraw/zinc/04/12/96/201041296.db2.gz CKHQHHNRTTXOPT-IAGOWNOFSA-N 2 1 321.465 2.301 10 0 DEAEMP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193376243 201041298 /nfs/dbraw/zinc/04/12/98/201041298.db2.gz CKHQHHNRTTXOPT-IAGOWNOFSA-N 2 1 321.465 2.301 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193376243 201041301 /nfs/dbraw/zinc/04/13/01/201041301.db2.gz CKHQHHNRTTXOPT-IAGOWNOFSA-N 2 1 321.465 2.301 10 0 DEAEMP C[N@@H+](CC(C)(C)O)[C@H](CN)c1cccc(Br)c1 ZINC000092958495 193188663 /nfs/dbraw/zinc/18/86/63/193188663.db2.gz CBCRLRFIUPJVRJ-GFCCVEGCSA-N 2 1 301.228 2.152 10 0 DEAEMP CC[N@@H+](CC(C)(C)O)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000092983419 193191248 /nfs/dbraw/zinc/19/12/48/193191248.db2.gz FFFZJYYNFGEULG-KRWDZBQOSA-N 2 1 300.487 2.122 10 0 DEAEMP CN1CC[N@H+](C)C[C@H]1c1nc(C[NH3+])c(-c2ccccc2)s1 ZINC000093896516 193324870 /nfs/dbraw/zinc/32/48/70/193324870.db2.gz RVGPYETYZSOQRZ-AWEZNQCLSA-N 2 1 302.447 2.187 10 0 DEAEMP CN1CC[N@@H+](C)C[C@H]1c1nc(C[NH3+])c(-c2ccccc2)s1 ZINC000093896516 193324872 /nfs/dbraw/zinc/32/48/72/193324872.db2.gz RVGPYETYZSOQRZ-AWEZNQCLSA-N 2 1 302.447 2.187 10 0 DEAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638891 193388370 /nfs/dbraw/zinc/38/83/70/193388370.db2.gz MHXQFQDJTBRXAA-HOTGVXAUSA-N 2 1 316.511 2.054 10 0 DEAEMP C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000043258590 183348203 /nfs/dbraw/zinc/34/82/03/183348203.db2.gz BQAMDGSPYVZYIT-JOYOIKCWSA-N 2 1 318.284 2.146 10 0 DEAEMP O=C1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347662 296324431 /nfs/dbraw/zinc/32/44/31/296324431.db2.gz IPTLPQXRFPRNSO-MSOLQXFVSA-N 2 1 321.509 2.491 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539417188 285076744 /nfs/dbraw/zinc/07/67/44/285076744.db2.gz DAFBKDWKGCHGSS-SFHVURJKSA-N 2 1 317.477 2.309 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157467889 197190043 /nfs/dbraw/zinc/19/00/43/197190043.db2.gz AMOGRZWPEGXDAB-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CCOCC)C(=O)OCC ZINC000157467889 197190045 /nfs/dbraw/zinc/19/00/45/197190045.db2.gz AMOGRZWPEGXDAB-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCOC3=O)C2)[nH+]1 ZINC000120358314 195151357 /nfs/dbraw/zinc/15/13/57/195151357.db2.gz RTUAEUYUBRRFRT-HUUCEWRRSA-N 2 1 303.406 2.077 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCOC3=O)C2)[nH+]1 ZINC000120358314 195151359 /nfs/dbraw/zinc/15/13/59/195151359.db2.gz RTUAEUYUBRRFRT-HUUCEWRRSA-N 2 1 303.406 2.077 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000245425489 285235425 /nfs/dbraw/zinc/23/54/25/285235425.db2.gz TVRLHDLJOQNBAF-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245425489 285235427 /nfs/dbraw/zinc/23/54/27/285235427.db2.gz TVRLHDLJOQNBAF-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245425489 285235428 /nfs/dbraw/zinc/23/54/28/285235428.db2.gz TVRLHDLJOQNBAF-IXDOHACOSA-N 2 1 324.513 2.233 10 0 DEAEMP Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](CC4CC4)CCO[C@@H]3C2)n1 ZINC000503719030 257208938 /nfs/dbraw/zinc/20/89/38/257208938.db2.gz KMBPWVKZHIBCLG-PKOBYXMFSA-N 2 1 315.461 2.323 10 0 DEAEMP CC[C@@H]1CN(Cc2cnc3c(C)cccn23)CC[N@H+]1CCOC ZINC000120950267 195269650 /nfs/dbraw/zinc/26/96/50/195269650.db2.gz VORGCJGCSSFQRS-MRXNPFEDSA-N 2 1 316.449 2.185 10 0 DEAEMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131325 /nfs/dbraw/zinc/13/13/25/133131325.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@@H](NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131326 /nfs/dbraw/zinc/13/13/26/133131326.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[N@H+]1CC[C@@H](NCC[NH+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131327 /nfs/dbraw/zinc/13/13/27/133131327.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[NH+]1CC[C@@H](NCC[N@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131328 /nfs/dbraw/zinc/13/13/28/133131328.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[NH+]1CC[C@@H](NCC[N@@H+]2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131329 /nfs/dbraw/zinc/13/13/29/133131329.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 2 1 323.525 2.365 10 0 DEAEMP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000360064962 133159886 /nfs/dbraw/zinc/15/98/86/133159886.db2.gz FYTIVLQFWULAEQ-UHFFFAOYSA-N 2 1 324.513 2.402 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000192596471 145075403 /nfs/dbraw/zinc/07/54/03/145075403.db2.gz UCJWMZFANCMDGM-RHSMWYFYSA-N 2 1 307.482 2.050 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000246281128 145097217 /nfs/dbraw/zinc/09/72/17/145097217.db2.gz JZVIEWATNJGQKA-XHSDSOJGSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000247206025 145129198 /nfs/dbraw/zinc/12/91/98/145129198.db2.gz VJOKCVRAONPSSX-RDBSUJKOSA-N 2 1 308.857 2.386 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000247206025 145129199 /nfs/dbraw/zinc/12/91/99/145129199.db2.gz VJOKCVRAONPSSX-RDBSUJKOSA-N 2 1 308.857 2.386 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248828804 145169392 /nfs/dbraw/zinc/16/93/92/145169392.db2.gz APXBVRKYRCBVTB-YQQAZPJKSA-N 2 1 303.450 2.283 10 0 DEAEMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854653 145233639 /nfs/dbraw/zinc/23/36/39/145233639.db2.gz DZWCZLUAAOKALW-CJNGLKHVSA-N 2 1 307.413 2.206 10 0 DEAEMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854653 145233640 /nfs/dbraw/zinc/23/36/40/145233640.db2.gz DZWCZLUAAOKALW-CJNGLKHVSA-N 2 1 307.413 2.206 10 0 DEAEMP CC1(C)C[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC[C@H]1[NH3+] ZINC000261907832 145240243 /nfs/dbraw/zinc/24/02/43/145240243.db2.gz XEDDNXMUIVWWEG-CQSZACIVSA-N 2 1 311.376 2.353 10 0 DEAEMP Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)[nH+]c1 ZINC000262677042 145300087 /nfs/dbraw/zinc/30/00/87/145300087.db2.gz SYHVQDNKGVXTHH-OAGGEKHMSA-N 2 1 316.449 2.229 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000263194736 145335167 /nfs/dbraw/zinc/33/51/67/145335167.db2.gz IHQNHGLAHWGLKI-SWLSCSKDSA-N 2 1 306.406 2.224 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(F)cc1 ZINC000371292502 148083903 /nfs/dbraw/zinc/08/39/03/148083903.db2.gz CISHFHSAFBMPJP-NXHRZFHOSA-N 2 1 322.424 2.388 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(F)cc1 ZINC000371292502 148083905 /nfs/dbraw/zinc/08/39/05/148083905.db2.gz CISHFHSAFBMPJP-NXHRZFHOSA-N 2 1 322.424 2.388 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293962 401707292 /nfs/dbraw/zinc/70/72/92/401707292.db2.gz RIHXBKJHUAAUOO-LSDHHAIUSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293962 401707294 /nfs/dbraw/zinc/70/72/94/401707294.db2.gz RIHXBKJHUAAUOO-LSDHHAIUSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293962 401707298 /nfs/dbraw/zinc/70/72/98/401707298.db2.gz RIHXBKJHUAAUOO-LSDHHAIUSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293962 401707302 /nfs/dbraw/zinc/70/73/02/401707302.db2.gz RIHXBKJHUAAUOO-LSDHHAIUSA-N 2 1 317.433 2.399 10 0 DEAEMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003947 401978216 /nfs/dbraw/zinc/97/82/16/401978216.db2.gz KOUPXTWVSDHLJM-JKSUJKDBSA-N 2 1 320.481 2.225 10 0 DEAEMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003947 401978219 /nfs/dbraw/zinc/97/82/19/401978219.db2.gz KOUPXTWVSDHLJM-JKSUJKDBSA-N 2 1 320.481 2.225 10 0 DEAEMP CCCC(=O)N[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120404858 401989489 /nfs/dbraw/zinc/98/94/89/401989489.db2.gz FUZRPZHGULVKQK-MRXNPFEDSA-N 2 1 306.454 2.352 10 0 DEAEMP CCCC(=O)N[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120404858 401989492 /nfs/dbraw/zinc/98/94/92/401989492.db2.gz FUZRPZHGULVKQK-MRXNPFEDSA-N 2 1 306.454 2.352 10 0 DEAEMP CC(C)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229267 402181932 /nfs/dbraw/zinc/18/19/32/402181932.db2.gz HYCKSMFJVZCTGA-QGZVFWFLSA-N 2 1 309.498 2.489 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125237740 402220938 /nfs/dbraw/zinc/22/09/38/402220938.db2.gz MPTDJFHBRJLKKW-JCYILVPMSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107845036 402241991 /nfs/dbraw/zinc/24/19/91/402241991.db2.gz IRVXNKGVUTUXIO-SJORKVTESA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000124994859 402207599 /nfs/dbraw/zinc/20/75/99/402207599.db2.gz IUGJUZPVNPXGEZ-ZWKOTPCHSA-N 2 1 317.477 2.498 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176272473 402295719 /nfs/dbraw/zinc/29/57/19/402295719.db2.gz QOXBZDBSEPZJGV-KRWDZBQOSA-N 2 1 322.497 2.177 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000176297087 402297975 /nfs/dbraw/zinc/29/79/75/402297975.db2.gz WPIZLHWCZOIPCT-KRWDZBQOSA-N 2 1 324.513 2.377 10 0 DEAEMP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176403826 402306668 /nfs/dbraw/zinc/30/66/68/402306668.db2.gz DLICSHLOXIIFOD-INIZCTEOSA-N 2 1 321.469 2.097 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176403826 402306669 /nfs/dbraw/zinc/30/66/69/402306669.db2.gz DLICSHLOXIIFOD-INIZCTEOSA-N 2 1 321.469 2.097 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000177222529 402383066 /nfs/dbraw/zinc/38/30/66/402383066.db2.gz LTOSSVRDPHXDHS-WBVHZDCISA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)[nH+]c1 ZINC000237732020 402419673 /nfs/dbraw/zinc/41/96/73/402419673.db2.gz SYHVQDNKGVXTHH-PMPSAXMXSA-N 2 1 316.449 2.229 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000177852692 402441415 /nfs/dbraw/zinc/44/14/15/402441415.db2.gz FTATZEDQIBTBJI-QAPCUYQASA-N 2 1 315.461 2.364 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C ZINC000177852692 402441417 /nfs/dbraw/zinc/44/14/17/402441417.db2.gz FTATZEDQIBTBJI-QAPCUYQASA-N 2 1 315.461 2.364 10 0 DEAEMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000180147889 402608213 /nfs/dbraw/zinc/60/82/13/402608213.db2.gz HZZLZZMFSVSIRV-FBVQUNGASA-N 2 1 313.445 2.002 10 0 DEAEMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000180147889 402608216 /nfs/dbraw/zinc/60/82/16/402608216.db2.gz HZZLZZMFSVSIRV-FBVQUNGASA-N 2 1 313.445 2.002 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2cccc(CNCc3cocn3)c2)CCO1 ZINC000192296010 402721409 /nfs/dbraw/zinc/72/14/09/402721409.db2.gz QLMTVQWOZKEJJA-CQSZACIVSA-N 2 1 301.390 2.185 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2cccc(CNCc3cocn3)c2)CCO1 ZINC000192296010 402721410 /nfs/dbraw/zinc/72/14/10/402721410.db2.gz QLMTVQWOZKEJJA-CQSZACIVSA-N 2 1 301.390 2.185 10 0 DEAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000263273183 402752620 /nfs/dbraw/zinc/75/26/20/402752620.db2.gz SLJKKQSPFRFOFH-DOMZBBRYSA-N 2 1 322.355 2.111 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000174757839 402755646 /nfs/dbraw/zinc/75/56/46/402755646.db2.gz MKUKQTHRXAMIHE-NVXWUHKLSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000174757839 402755648 /nfs/dbraw/zinc/75/56/48/402755648.db2.gz MKUKQTHRXAMIHE-NVXWUHKLSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000174757839 402755649 /nfs/dbraw/zinc/75/56/49/402755649.db2.gz MKUKQTHRXAMIHE-NVXWUHKLSA-N 2 1 322.497 2.129 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000174878152 402761133 /nfs/dbraw/zinc/76/11/33/402761133.db2.gz WSFULJGVHKHPGM-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000174878152 402761137 /nfs/dbraw/zinc/76/11/37/402761137.db2.gz WSFULJGVHKHPGM-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000194128954 402785159 /nfs/dbraw/zinc/78/51/59/402785159.db2.gz YVMNIDIUDCOISR-IRXDYDNUSA-N 2 1 318.465 2.073 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000175959897 402844787 /nfs/dbraw/zinc/84/47/87/402844787.db2.gz FMWRZEGANACEQU-NVXWUHKLSA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396316687 405056949 /nfs/dbraw/zinc/05/69/49/405056949.db2.gz DTZPQTQHCRXYJA-BPQIPLTHSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396316687 405056953 /nfs/dbraw/zinc/05/69/53/405056953.db2.gz DTZPQTQHCRXYJA-BPQIPLTHSA-N 2 1 315.461 2.237 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455474867 405415187 /nfs/dbraw/zinc/41/51/87/405415187.db2.gz MMQORCHNMZDGCK-ALOPSCKCSA-N 2 1 322.497 2.033 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000580151335 405592840 /nfs/dbraw/zinc/59/28/40/405592840.db2.gz RBJJWQFKRWRYQT-KRWDZBQOSA-N 2 1 324.513 2.377 10 0 DEAEMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639106903 405886010 /nfs/dbraw/zinc/88/60/10/405886010.db2.gz XBHVYBQOEYMRBM-OALUTQOASA-N 2 1 318.461 2.436 10 0 DEAEMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000639106903 405886016 /nfs/dbraw/zinc/88/60/16/405886016.db2.gz XBHVYBQOEYMRBM-OALUTQOASA-N 2 1 318.461 2.436 10 0 DEAEMP O[C@]1(C[NH2+]CC[C@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634722370 406246635 /nfs/dbraw/zinc/24/66/35/406246635.db2.gz OCAYZGMZXQFPNW-HOTGVXAUSA-N 2 1 310.388 2.258 10 0 DEAEMP O[C@]1(C[NH2+]CC[C@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722370 406246642 /nfs/dbraw/zinc/24/66/42/406246642.db2.gz OCAYZGMZXQFPNW-HOTGVXAUSA-N 2 1 310.388 2.258 10 0 DEAEMP O=C(CCC1C[NH2+]C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638080007 406558710 /nfs/dbraw/zinc/55/87/10/406558710.db2.gz KMZRTSNMFRBLTH-SFHVURJKSA-N 2 1 315.461 2.014 10 0 DEAEMP CSc1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC000130627282 196097159 /nfs/dbraw/zinc/09/71/59/196097159.db2.gz MIHCJZJUUUAXJS-INIZCTEOSA-N 2 1 305.491 2.406 10 0 DEAEMP CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381910629 424909745 /nfs/dbraw/zinc/90/97/45/424909745.db2.gz ZSOHSBBKLISRQT-DAWZGUTISA-N 2 1 315.461 2.237 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388680652 424914493 /nfs/dbraw/zinc/91/44/93/424914493.db2.gz VLHLGCXZUFCPPX-ROUUACIJSA-N 2 1 317.477 2.483 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404327781 424927085 /nfs/dbraw/zinc/92/70/85/424927085.db2.gz WWQUTZLZERHSQM-WMZOPIPTSA-N 2 1 317.477 2.484 10 0 DEAEMP c1[nH+]cn2cc(CNc3cc[nH+]c(N4CCCCC4)n3)ccc12 ZINC000574500236 424943576 /nfs/dbraw/zinc/94/35/76/424943576.db2.gz GOZPGMDPULJARD-UHFFFAOYSA-N 2 1 308.389 2.727 10 0 DEAEMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1Br ZINC000311090517 424894554 /nfs/dbraw/zinc/89/45/54/424894554.db2.gz ICKJDSBQXRLEGG-NEPJUHHUSA-N 2 1 315.255 2.412 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000333586719 268957047 /nfs/dbraw/zinc/95/70/47/268957047.db2.gz OEGKHKLSAZOBBA-PVAVHDDUSA-N 2 1 322.497 2.081 10 0 DEAEMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NC1CC1 ZINC000391057617 269097729 /nfs/dbraw/zinc/09/77/29/269097729.db2.gz KKFCJPKZMKYMJQ-AYHJJNSGSA-N 2 1 313.445 2.050 10 0 DEAEMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NC1CC1 ZINC000391057617 269097730 /nfs/dbraw/zinc/09/77/30/269097730.db2.gz KKFCJPKZMKYMJQ-AYHJJNSGSA-N 2 1 313.445 2.050 10 0 DEAEMP CC[N@@H+]1CCc2nc(NC(=O)CC3CC[NH+](C)CC3)sc2C1 ZINC000371813925 276236532 /nfs/dbraw/zinc/23/65/32/276236532.db2.gz BWVCMLOZVXSERX-UHFFFAOYSA-N 2 1 322.478 2.192 10 0 DEAEMP CC[N@H+]1CCc2nc(NC(=O)CC3CC[NH+](C)CC3)sc2C1 ZINC000371813925 276236533 /nfs/dbraw/zinc/23/65/33/276236533.db2.gz BWVCMLOZVXSERX-UHFFFAOYSA-N 2 1 322.478 2.192 10 0 DEAEMP CC1(C)CC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000105070702 278190043 /nfs/dbraw/zinc/19/00/43/278190043.db2.gz NVCDGFGOFTXIMM-HNNXBMFYSA-N 2 1 322.497 2.175 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000175028935 281191758 /nfs/dbraw/zinc/19/17/58/281191758.db2.gz YQZCKBMIWITZEO-ZWKOTPCHSA-N 2 1 315.461 2.447 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398163308 337307619 /nfs/dbraw/zinc/30/76/19/337307619.db2.gz SNDPNIFNMNESEG-SZVBFZGTSA-N 2 1 315.461 2.155 10 0 DEAEMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000124398149 517643012 /nfs/dbraw/zinc/64/30/12/517643012.db2.gz LFBUCOMOBFNXQX-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261971566 536840164 /nfs/dbraw/zinc/84/01/64/536840164.db2.gz QQKSWSPFNVOLJB-OIISXLGYSA-N 2 1 322.424 2.124 10 0 DEAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@H]1C(C)C ZINC000888097453 635540577 /nfs/dbraw/zinc/54/05/77/635540577.db2.gz JEWSXVDTOUCYCN-NCXUSEDFSA-N 2 1 317.477 2.349 10 0 DEAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@@H]1C(C)C ZINC000888097449 635540732 /nfs/dbraw/zinc/54/07/32/635540732.db2.gz JEWSXVDTOUCYCN-AKHDSKFASA-N 2 1 317.477 2.349 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261981265 636964220 /nfs/dbraw/zinc/96/42/20/636964220.db2.gz RQWJBBCTFBDCGL-SIXLDLHFSA-N 2 1 302.418 2.257 10 0 DEAEMP Cc1noc2ncc(C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)cc12 ZINC000894779944 637207475 /nfs/dbraw/zinc/20/74/75/637207475.db2.gz SNOCRDQYWZBWEF-CYBMUJFWSA-N 2 1 311.389 2.422 10 0 DEAEMP Cc1noc2ncc(C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)cc12 ZINC000894779944 637207478 /nfs/dbraw/zinc/20/74/78/637207478.db2.gz SNOCRDQYWZBWEF-CYBMUJFWSA-N 2 1 311.389 2.422 10 0 DEAEMP O=c1oc2ccccc2n1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000151812278 647022056 /nfs/dbraw/zinc/02/20/56/647022056.db2.gz JUPWUOZUWLHZBE-UHFFFAOYSA-N 2 1 315.417 2.360 10 0 DEAEMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[NH+]1CCCC1 ZINC000005602534 651279690 /nfs/dbraw/zinc/27/96/90/651279690.db2.gz RVSRDNZLKOKNCE-SJLPKXTDSA-N 2 1 313.445 2.225 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054970 799434130 /nfs/dbraw/zinc/43/41/30/799434130.db2.gz GDIZWUOLMYHNCO-HUUCEWRRSA-N 2 1 311.470 2.317 10 0 DEAEMP C[N@@H+](CCC(=O)Nc1ccccc1C[NH3+])CCC(F)(F)F ZINC000088417519 185249074 /nfs/dbraw/zinc/24/90/74/185249074.db2.gz FZQRQLNEDBASFQ-UHFFFAOYSA-N 2 1 303.328 2.358 10 0 DEAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000090327565 185291209 /nfs/dbraw/zinc/29/12/09/185291209.db2.gz QRKSMENGVKTMPM-JMSVASOKSA-N 2 1 307.825 2.208 10 0 DEAEMP CN(C[C@@H]1CCC[N@H+]1C)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000092625280 185329663 /nfs/dbraw/zinc/32/96/63/185329663.db2.gz NQUHWFHACRHWAJ-MOKVOYLWSA-N 2 1 307.404 2.462 10 0 DEAEMP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCC1 ZINC000237998230 539752740 /nfs/dbraw/zinc/75/27/40/539752740.db2.gz NTKICBMDJRGPJQ-KRWDZBQOSA-N 2 1 315.461 2.429 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000398065398 540140521 /nfs/dbraw/zinc/14/05/21/540140521.db2.gz HLLNVASRKYBADY-ZBFHGGJFSA-N 2 1 301.434 2.037 10 0 DEAEMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447553 283156913 /nfs/dbraw/zinc/15/69/13/283156913.db2.gz NXCVKRBBAVDROC-ZBFHGGJFSA-N 2 1 323.481 2.483 10 0 DEAEMP COc1ccc(Br)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838506 368415709 /nfs/dbraw/zinc/41/57/09/368415709.db2.gz PLZGAQYCCDCRRS-PWSUYJOCSA-N 2 1 313.239 2.484 10 0 DEAEMP COc1ccc(Br)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838506 368415713 /nfs/dbraw/zinc/41/57/13/368415713.db2.gz PLZGAQYCCDCRRS-PWSUYJOCSA-N 2 1 313.239 2.484 10 0 DEAEMP CC(C)(C)c1csc(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000094256928 193355311 /nfs/dbraw/zinc/35/53/11/193355311.db2.gz SFEZDEXUHQRZQA-FRRDWIJNSA-N 2 1 309.479 2.174 10 0 DEAEMP CC(C)(C)c1csc(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000094256928 193355312 /nfs/dbraw/zinc/35/53/12/193355312.db2.gz SFEZDEXUHQRZQA-FRRDWIJNSA-N 2 1 309.479 2.174 10 0 DEAEMP CN(c1nc(C(F)(F)F)ccc1C[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000094334265 193360320 /nfs/dbraw/zinc/36/03/20/193360320.db2.gz PYYUTBCGMVBIOV-LLVKDONJSA-N 2 1 302.344 2.090 10 0 DEAEMP C[N@H+]1CCC[C@H]1CCOc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334491 193360669 /nfs/dbraw/zinc/36/06/69/193360669.db2.gz RZBLJAZMLSDGQP-NSHDSACASA-N 2 1 303.328 2.422 10 0 DEAEMP Cc1csc(NC(=O)C[N@H+](CC2CC[NH2+]CC2)C(C)C)n1 ZINC000094026055 193339865 /nfs/dbraw/zinc/33/98/65/193339865.db2.gz KZSTVXTZVZIQII-UHFFFAOYSA-N 2 1 310.467 2.100 10 0 DEAEMP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634618 193386458 /nfs/dbraw/zinc/38/64/58/193386458.db2.gz WPUZWSJQDOBVKI-HZPDHXFCSA-N 2 1 316.511 2.326 10 0 DEAEMP C[NH2+][C@H]1CCCc2sc(N3CC[N@H+]4CCCC[C@@H]4C3)nc21 ZINC000094444125 193369805 /nfs/dbraw/zinc/36/98/05/193369805.db2.gz CNVJAGCOBRBETR-OLZOCXBDSA-N 2 1 306.479 2.414 10 0 DEAEMP C[N@H+](Cc1ccc(Br)c(N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000159354036 197347643 /nfs/dbraw/zinc/34/76/43/197347643.db2.gz LTUHXMHPZSYHCL-GFCCVEGCSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)c(N)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000159354036 197347645 /nfs/dbraw/zinc/34/76/45/197347645.db2.gz LTUHXMHPZSYHCL-GFCCVEGCSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)c(N)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000159354036 197347646 /nfs/dbraw/zinc/34/76/46/197347646.db2.gz LTUHXMHPZSYHCL-GFCCVEGCSA-N 2 1 312.255 2.415 10 0 DEAEMP CC[C@@H](c1nc2c(s1)C[N@H+](C(C)C)CC2)N1CC[NH2+]CC1 ZINC000109472530 194267153 /nfs/dbraw/zinc/26/71/53/194267153.db2.gz ZHCXBBLMCMGAJC-AWEZNQCLSA-N 2 1 308.495 2.266 10 0 DEAEMP C[N@@H+](CCCOCC(F)(F)F)Cc1cccc(C(N)=[NH2+])c1 ZINC000061942436 184197382 /nfs/dbraw/zinc/19/73/82/184197382.db2.gz FDHAEEJXAZCCPK-UHFFFAOYSA-N 2 1 303.328 2.371 10 0 DEAEMP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CCOC(C)C)[NH2+]C ZINC000157498957 197192316 /nfs/dbraw/zinc/19/23/16/197192316.db2.gz XAZSMUVQYASELH-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CCOC(C)C)[NH2+]C ZINC000157498957 197192317 /nfs/dbraw/zinc/19/23/17/197192317.db2.gz XAZSMUVQYASELH-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOC(=O)CCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000132973755 144770528 /nfs/dbraw/zinc/77/05/28/144770528.db2.gz ORDWGTJPULPWAS-UHFFFAOYSA-N 2 1 307.438 2.408 10 0 DEAEMP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193630566 145087600 /nfs/dbraw/zinc/08/76/00/145087600.db2.gz MXLWIJVPYZZOGP-OKILXGFUSA-N 2 1 319.474 2.231 10 0 DEAEMP CSc1ccccc1NC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193630566 145087604 /nfs/dbraw/zinc/08/76/04/145087604.db2.gz MXLWIJVPYZZOGP-OKILXGFUSA-N 2 1 319.474 2.231 10 0 DEAEMP CSc1ccccc1NC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193630566 145087605 /nfs/dbraw/zinc/08/76/05/145087605.db2.gz MXLWIJVPYZZOGP-OKILXGFUSA-N 2 1 319.474 2.231 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000246768960 145113753 /nfs/dbraw/zinc/11/37/53/145113753.db2.gz CBDHTNBQNCWUKL-NVXWUHKLSA-N 2 1 324.513 2.136 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000246768976 145114141 /nfs/dbraw/zinc/11/41/41/145114141.db2.gz CBDHTNBQNCWUKL-WBVHZDCISA-N 2 1 324.513 2.136 10 0 DEAEMP Cc1ccc(CNC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000246923887 145119994 /nfs/dbraw/zinc/11/99/94/145119994.db2.gz QCPLTVQILHFEHP-GOEBONIOSA-N 2 1 321.440 2.165 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2)[C@H](C)C1 ZINC000247256035 145130742 /nfs/dbraw/zinc/13/07/42/145130742.db2.gz UWOWUIGMUBLCNG-NUJGCVRESA-N 2 1 306.450 2.088 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2)[C@H](C)C1 ZINC000247256035 145130743 /nfs/dbraw/zinc/13/07/43/145130743.db2.gz UWOWUIGMUBLCNG-NUJGCVRESA-N 2 1 306.450 2.088 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000247347124 145134884 /nfs/dbraw/zinc/13/48/84/145134884.db2.gz OOZNEURSDFSNCN-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000247347124 145134885 /nfs/dbraw/zinc/13/48/85/145134885.db2.gz OOZNEURSDFSNCN-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247347124 145134886 /nfs/dbraw/zinc/13/48/86/145134886.db2.gz OOZNEURSDFSNCN-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247347124 145134887 /nfs/dbraw/zinc/13/48/87/145134887.db2.gz OOZNEURSDFSNCN-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP COC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247563748 145141363 /nfs/dbraw/zinc/14/13/63/145141363.db2.gz RBKBBVWGKBPLFT-QFBILLFUSA-N 2 1 320.477 2.399 10 0 DEAEMP CC[NH+](CC)[C@H](CNC1=[NH+]CCCN1)c1cccc(OC)c1 ZINC000261723648 145220807 /nfs/dbraw/zinc/22/08/07/145220807.db2.gz GDIQQCOFKFPRQJ-MRXNPFEDSA-N 2 1 304.438 2.017 10 0 DEAEMP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261903391 145239365 /nfs/dbraw/zinc/23/93/65/145239365.db2.gz HZMFXBHZRSHPOD-KSZLIROESA-N 2 1 318.461 2.429 10 0 DEAEMP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262035119 145255557 /nfs/dbraw/zinc/25/55/57/145255557.db2.gz XXSIYIDYQUMYEI-QQXKLLMISA-N 2 1 300.446 2.364 10 0 DEAEMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262043423 145256189 /nfs/dbraw/zinc/25/61/89/145256189.db2.gz YTQBGYDSKSHALC-NXWXRZEISA-N 2 1 300.446 2.463 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000073722852 401720559 /nfs/dbraw/zinc/72/05/59/401720559.db2.gz MKBSTIUJUBZMKC-INIZCTEOSA-N 2 1 323.485 2.247 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000127627589 401743065 /nfs/dbraw/zinc/74/30/65/401743065.db2.gz WBYILYKLCREMQC-JKSUJKDBSA-N 2 1 312.502 2.280 10 0 DEAEMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293961 401707024 /nfs/dbraw/zinc/70/70/24/401707024.db2.gz RIHXBKJHUAAUOO-GJZGRUSLSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293961 401707027 /nfs/dbraw/zinc/70/70/27/401707027.db2.gz RIHXBKJHUAAUOO-GJZGRUSLSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293961 401707030 /nfs/dbraw/zinc/70/70/30/401707030.db2.gz RIHXBKJHUAAUOO-GJZGRUSLSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2c3ccccc3oc2=O)C[C@@H]1C ZINC000072293961 401707034 /nfs/dbraw/zinc/70/70/34/401707034.db2.gz RIHXBKJHUAAUOO-GJZGRUSLSA-N 2 1 317.433 2.399 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000111420921 401715090 /nfs/dbraw/zinc/71/50/90/401715090.db2.gz ORPMYSKWRNNOJU-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000111420921 401715093 /nfs/dbraw/zinc/71/50/93/401715093.db2.gz ORPMYSKWRNNOJU-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000111420921 401715095 /nfs/dbraw/zinc/71/50/95/401715095.db2.gz ORPMYSKWRNNOJU-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113609445 401783990 /nfs/dbraw/zinc/78/39/90/401783990.db2.gz NNEVRYHXLLJCHW-DOTOQJQBSA-N 2 1 322.497 2.129 10 0 DEAEMP CC1CCC(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000047971192 401991511 /nfs/dbraw/zinc/99/15/11/401991511.db2.gz SYXQFVQRIMYHNF-UHFFFAOYSA-N 2 1 321.509 2.489 10 0 DEAEMP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123321390 402121715 /nfs/dbraw/zinc/12/17/15/402121715.db2.gz PAVPYNGEIOJNPP-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123321390 402121716 /nfs/dbraw/zinc/12/17/16/402121716.db2.gz PAVPYNGEIOJNPP-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123321390 402121718 /nfs/dbraw/zinc/12/17/18/402121718.db2.gz PAVPYNGEIOJNPP-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123321390 402121719 /nfs/dbraw/zinc/12/17/19/402121719.db2.gz PAVPYNGEIOJNPP-ZBFHGGJFSA-N 2 1 319.449 2.438 10 0 DEAEMP C[C@@H]1C[N@H+](C2CCN(CCC[NH+]3CCCCC3)CC2)CCO1 ZINC000125149949 402216066 /nfs/dbraw/zinc/21/60/66/402216066.db2.gz WQEHCWZYCZKTCK-QGZVFWFLSA-N 2 1 309.498 2.048 10 0 DEAEMP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000154842189 402235294 /nfs/dbraw/zinc/23/52/94/402235294.db2.gz KRGZTAWFVDPKHH-IEBWSBKVSA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000154847466 402236035 /nfs/dbraw/zinc/23/60/35/402236035.db2.gz MQWIKEZQBCZNJV-UHFFFAOYSA-N 2 1 318.465 2.160 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[C@H](C)C1 ZINC000246570490 402536936 /nfs/dbraw/zinc/53/69/36/402536936.db2.gz YLIPSFHFKLZDPK-ZACQAIPSSA-N 2 1 324.513 2.233 10 0 DEAEMP COc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000171828914 402626459 /nfs/dbraw/zinc/62/64/59/402626459.db2.gz LMFSDMIROXXUOM-UHFFFAOYSA-N 2 1 300.406 2.278 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+](CC)C2CC2)C1 ZINC000179168847 402577783 /nfs/dbraw/zinc/57/77/83/402577783.db2.gz AHWSDBXHUYMUFT-HNNXBMFYSA-N 2 1 304.438 2.093 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+](CC)C2CC2)C1 ZINC000179168847 402577785 /nfs/dbraw/zinc/57/77/85/402577785.db2.gz AHWSDBXHUYMUFT-HNNXBMFYSA-N 2 1 304.438 2.093 10 0 DEAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000249842738 402642376 /nfs/dbraw/zinc/64/23/76/402642376.db2.gz YHHCLRIYWKTISU-IAGOWNOFSA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249842738 402642378 /nfs/dbraw/zinc/64/23/78/402642378.db2.gz YHHCLRIYWKTISU-IAGOWNOFSA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249842738 402642379 /nfs/dbraw/zinc/64/23/79/402642379.db2.gz YHHCLRIYWKTISU-IAGOWNOFSA-N 2 1 324.513 2.280 10 0 DEAEMP COC[C@@H](C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027196 402706753 /nfs/dbraw/zinc/70/67/53/402706753.db2.gz LOMKUCDRMGTYJP-WMZOPIPTSA-N 2 1 306.450 2.150 10 0 DEAEMP COC[C@@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027196 402706756 /nfs/dbraw/zinc/70/67/56/402706756.db2.gz LOMKUCDRMGTYJP-WMZOPIPTSA-N 2 1 306.450 2.150 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813560 402717429 /nfs/dbraw/zinc/71/74/29/402717429.db2.gz ADYYEFNOUBLPQZ-HZPDHXFCSA-N 2 1 307.482 2.371 10 0 DEAEMP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000173328276 402692924 /nfs/dbraw/zinc/69/29/24/402692924.db2.gz SZLUGOCZOITGJV-JKSUJKDBSA-N 2 1 312.502 2.229 10 0 DEAEMP CCC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533675 402697707 /nfs/dbraw/zinc/69/77/07/402697707.db2.gz STMGEKXDADZKKP-WBVHZDCISA-N 2 1 305.466 2.353 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000174174092 402729792 /nfs/dbraw/zinc/72/97/92/402729792.db2.gz GYBVFXJIWMRNNF-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP C[N@H+]1CCO[C@@H]2CN(c3ccnc4cc(Cl)ccc43)C[C@H]21 ZINC000301661246 403660756 /nfs/dbraw/zinc/66/07/56/403660756.db2.gz MSAYLTYGPLSKAJ-HZPDHXFCSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000301661246 403660761 /nfs/dbraw/zinc/66/07/61/403660761.db2.gz MSAYLTYGPLSKAJ-HZPDHXFCSA-N 2 1 303.793 2.407 10 0 DEAEMP C(CC[NH+]1CCO[C@H](C2CC2)C1)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000368793084 403861013 /nfs/dbraw/zinc/86/10/13/403861013.db2.gz RUVBOJKTPNZLIZ-OALUTQOASA-N 2 1 322.493 2.378 10 0 DEAEMP CC(C)[NH2+]CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377315933 404835819 /nfs/dbraw/zinc/83/58/19/404835819.db2.gz KIUILZBKKDLAHM-MOPGFXCFSA-N 2 1 301.478 2.438 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634945 405028081 /nfs/dbraw/zinc/02/80/81/405028081.db2.gz VOBDJXOZIIUJPS-WDSOQIARSA-N 3 1 319.493 2.383 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379634945 405028083 /nfs/dbraw/zinc/02/80/83/405028083.db2.gz VOBDJXOZIIUJPS-WDSOQIARSA-N 3 1 319.493 2.383 10 0 DEAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379662729 405028199 /nfs/dbraw/zinc/02/81/99/405028199.db2.gz JCNOBANOLZKXQM-SZMVWBNQSA-N 2 1 315.461 2.155 10 0 DEAEMP O=C(CCC1C[NH2+]C1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638080310 406558680 /nfs/dbraw/zinc/55/86/80/406558680.db2.gz NQCXGNMKJFQBSZ-SFHVURJKSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000638300409 406683357 /nfs/dbraw/zinc/68/33/57/406683357.db2.gz FORDJWKEZUQISA-DOTOQJQBSA-N 2 1 305.466 2.387 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@H](C)C1 ZINC000129090858 196018263 /nfs/dbraw/zinc/01/82/63/196018263.db2.gz CPXMDWUDKAMSFD-WBVHZDCISA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC000129090858 196018265 /nfs/dbraw/zinc/01/82/65/196018265.db2.gz CPXMDWUDKAMSFD-WBVHZDCISA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC000129090858 196018266 /nfs/dbraw/zinc/01/82/66/196018266.db2.gz CPXMDWUDKAMSFD-WBVHZDCISA-N 2 1 324.513 2.233 10 0 DEAEMP Cc1cc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000302217709 230173011 /nfs/dbraw/zinc/17/30/11/230173011.db2.gz KBVAUQYCUYQJAH-RBUKOAKNSA-N 2 1 309.413 2.480 10 0 DEAEMP Cc1cc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000302217709 230173015 /nfs/dbraw/zinc/17/30/15/230173015.db2.gz KBVAUQYCUYQJAH-RBUKOAKNSA-N 2 1 309.413 2.480 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379663989 424907861 /nfs/dbraw/zinc/90/78/61/424907861.db2.gz NGNAOSOFAYYEBA-DOTOQJQBSA-N 2 1 305.466 2.387 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762966 424910611 /nfs/dbraw/zinc/91/06/11/424910611.db2.gz NATGOTAMMLDCFQ-ZWKOTPCHSA-N 2 1 317.477 2.340 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390750919 424917632 /nfs/dbraw/zinc/91/76/32/424917632.db2.gz SIIXPVXWJJQBFX-IRXDYDNUSA-N 2 1 303.450 2.141 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398073573 269108206 /nfs/dbraw/zinc/10/82/06/269108206.db2.gz DZQYHLYNMGHBCL-WDSOQIARSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398073573 269108207 /nfs/dbraw/zinc/10/82/07/269108207.db2.gz DZQYHLYNMGHBCL-WDSOQIARSA-N 3 1 319.493 2.241 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261930917 275070709 /nfs/dbraw/zinc/07/07/09/275070709.db2.gz LRSOFNUCDBZMPP-BZZMCLGOSA-N 2 1 316.445 2.299 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000157763908 277385391 /nfs/dbraw/zinc/38/53/91/277385391.db2.gz QGJWYDZGUWQIKZ-RDJZCZTQSA-N 2 1 324.513 2.135 10 0 DEAEMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247005711 280240933 /nfs/dbraw/zinc/24/09/33/280240933.db2.gz LBAKERFAEJAZOF-SJORKVTESA-N 2 1 318.465 2.447 10 0 DEAEMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247005711 280240936 /nfs/dbraw/zinc/24/09/36/280240936.db2.gz LBAKERFAEJAZOF-SJORKVTESA-N 2 1 318.465 2.447 10 0 DEAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000188352131 333044736 /nfs/dbraw/zinc/04/47/36/333044736.db2.gz YSVWZOOCZYZVIT-MAUKXSAKSA-N 2 1 306.450 2.015 10 0 DEAEMP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875570 524164705 /nfs/dbraw/zinc/16/47/05/524164705.db2.gz GPRVCNBNQSCKTA-AWEZNQCLSA-N 2 1 318.465 2.122 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447990178 528117321 /nfs/dbraw/zinc/11/73/21/528117321.db2.gz RAMZBQOJUJKFLD-INIZCTEOSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000447990178 528117325 /nfs/dbraw/zinc/11/73/25/528117325.db2.gz RAMZBQOJUJKFLD-INIZCTEOSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000447990178 528117328 /nfs/dbraw/zinc/11/73/28/528117328.db2.gz RAMZBQOJUJKFLD-INIZCTEOSA-N 2 1 322.497 2.058 10 0 DEAEMP CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195216762 528626590 /nfs/dbraw/zinc/62/65/90/528626590.db2.gz NSSZJYTYKRQZCS-LZLYRXPVSA-N 2 1 312.498 2.407 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358194271 535448416 /nfs/dbraw/zinc/44/84/16/535448416.db2.gz RPVPTVJTXPFMGV-UHFFFAOYSA-N 2 1 322.497 2.060 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000246718064 535449398 /nfs/dbraw/zinc/44/93/98/535449398.db2.gz ABARQJLBKWJTRM-NVXWUHKLSA-N 2 1 324.513 2.136 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000230412465 646729060 /nfs/dbraw/zinc/72/90/60/646729060.db2.gz BTATZLBDFOAKBL-QLFBSQMISA-N 2 1 311.470 2.316 10 0 DEAEMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccco3)cn2)CC1 ZINC000069708095 648739222 /nfs/dbraw/zinc/73/92/22/648739222.db2.gz NFMIQBVYNDCRHD-UHFFFAOYSA-N 2 1 300.406 2.106 10 0 DEAEMP COC(OC)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381757101 685402154 /nfs/dbraw/zinc/40/21/54/685402154.db2.gz GTONBNPIIOTJRC-YQQAZPJKSA-N 2 1 306.450 2.494 10 0 DEAEMP [NH3+]C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000709845423 1086684866 /nfs/dbraw/zinc/68/48/66/1086684866.db2.gz IPKRCLOVFDJUBC-RKDXNWHRSA-N 2 1 308.266 2.024 10 0 DEAEMP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000720249102 1089538778 /nfs/dbraw/zinc/53/87/78/1089538778.db2.gz KPNFCMVULAVUFF-VHSXEESVSA-N 2 1 302.287 2.375 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000079192876 185161392 /nfs/dbraw/zinc/16/13/92/185161392.db2.gz JDYJITTWPUNIRP-HUUCEWRRSA-N 2 1 324.469 2.158 10 0 DEAEMP CCC[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000087526075 185227626 /nfs/dbraw/zinc/22/76/26/185227626.db2.gz WJOUDCWOYOSANC-AWEZNQCLSA-N 2 1 309.479 2.157 10 0 DEAEMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCc2sccc2C1 ZINC000088397562 185248366 /nfs/dbraw/zinc/24/83/66/185248366.db2.gz PXKPPXINHZTFLR-JKSUJKDBSA-N 2 1 302.443 2.037 10 0 DEAEMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCc2sccc2C1 ZINC000088397562 185248367 /nfs/dbraw/zinc/24/83/67/185248367.db2.gz PXKPPXINHZTFLR-JKSUJKDBSA-N 2 1 302.443 2.037 10 0 DEAEMP [NH3+][C@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2sccc2C1 ZINC000088397565 185248389 /nfs/dbraw/zinc/24/83/89/185248389.db2.gz PXKPPXINHZTFLR-CVEARBPZSA-N 2 1 302.443 2.037 10 0 DEAEMP [NH3+][C@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2sccc2C1 ZINC000088397565 185248390 /nfs/dbraw/zinc/24/83/90/185248390.db2.gz PXKPPXINHZTFLR-CVEARBPZSA-N 2 1 302.443 2.037 10 0 DEAEMP CC[C@@H]([NH3+])c1nc2cc(C)ccc2n1CC[NH+]1CCOCC1 ZINC000071666967 191001823 /nfs/dbraw/zinc/00/18/23/191001823.db2.gz PINAJQXFHOWZHG-CQSZACIVSA-N 2 1 302.422 2.087 10 0 DEAEMP CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149610423 186052113 /nfs/dbraw/zinc/05/21/13/186052113.db2.gz OTDKRTUKDLUZSO-DLBZAZTESA-N 2 1 309.885 2.497 10 0 DEAEMP CC(C)[NH2+]C[C@@H]1COCCN1c1cc[nH+]cc1Br ZINC000164157664 186150420 /nfs/dbraw/zinc/15/04/20/186150420.db2.gz JXSUNMJVOPTONU-LLVKDONJSA-N 2 1 314.227 2.047 10 0 DEAEMP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303089415 539861230 /nfs/dbraw/zinc/86/12/30/539861230.db2.gz OSCUAAMTCAPRLS-MSOLQXFVSA-N 2 1 315.461 2.157 10 0 DEAEMP C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333578307 539963781 /nfs/dbraw/zinc/96/37/81/539963781.db2.gz NHLUXHDGPQOIRM-JYJNAYRXSA-N 2 1 322.497 2.081 10 0 DEAEMP C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333578304 539963900 /nfs/dbraw/zinc/96/39/00/539963900.db2.gz NHLUXHDGPQOIRM-ARFHVFGLSA-N 2 1 322.497 2.081 10 0 DEAEMP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000262524328 283046262 /nfs/dbraw/zinc/04/62/62/283046262.db2.gz FYXMTPWZNDVDTC-HZPDHXFCSA-N 2 1 321.852 2.201 10 0 DEAEMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000262524328 283046267 /nfs/dbraw/zinc/04/62/67/283046267.db2.gz FYXMTPWZNDVDTC-HZPDHXFCSA-N 2 1 321.852 2.201 10 0 DEAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262655640 356343098 /nfs/dbraw/zinc/34/30/98/356343098.db2.gz CNGXBZDAGKWUDJ-PBHICJAKSA-N 2 1 303.450 2.270 10 0 DEAEMP c1ncn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000578625783 356846728 /nfs/dbraw/zinc/84/67/28/356846728.db2.gz LYTHNSGJMSNMCN-QGZVFWFLSA-N 2 1 311.433 2.065 10 0 DEAEMP c1ncn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000578625783 356846733 /nfs/dbraw/zinc/84/67/33/356846733.db2.gz LYTHNSGJMSNMCN-QGZVFWFLSA-N 2 1 311.433 2.065 10 0 DEAEMP Cc1cc(N2CCC([NH2+]Cc3ccncc3F)CC2)nc(C)[nH+]1 ZINC000449221930 240218594 /nfs/dbraw/zinc/21/85/94/240218594.db2.gz HODSDEKFNKFSOY-UHFFFAOYSA-N 2 1 315.396 2.386 10 0 DEAEMP CCn1nc(C)c(Br)c1C[C@H]([NH3+])C(C)(C)[NH+](C)C ZINC000091528407 193069355 /nfs/dbraw/zinc/06/93/55/193069355.db2.gz JWECOPRROJPHFQ-NSHDSACASA-N 2 1 317.275 2.184 10 0 DEAEMP CCn1nc(C)c(Br)c1C[C@@H]([NH3+])C(C)(C)[NH+](C)C ZINC000091528408 193069688 /nfs/dbraw/zinc/06/96/88/193069688.db2.gz JWECOPRROJPHFQ-LLVKDONJSA-N 2 1 317.275 2.184 10 0 DEAEMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091844804 193116907 /nfs/dbraw/zinc/11/69/07/193116907.db2.gz ZTHUOGANPLKKID-LRVUVFPRSA-N 2 1 310.463 2.353 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3Br)C[C@H]21 ZINC000629518864 367232476 /nfs/dbraw/zinc/23/24/76/367232476.db2.gz MKVAHYCLWRSDJT-MPKXVKKWSA-N 2 1 310.239 2.403 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3Br)C[C@H]21 ZINC000629518864 367232485 /nfs/dbraw/zinc/23/24/85/367232485.db2.gz MKVAHYCLWRSDJT-MPKXVKKWSA-N 2 1 310.239 2.403 10 0 DEAEMP CC[N@@H+]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094638823 193387870 /nfs/dbraw/zinc/38/78/70/193387870.db2.gz VGOSNBUZMNRDHO-LVQVYYBASA-N 2 1 316.511 2.182 10 0 DEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000110708491 194353710 /nfs/dbraw/zinc/35/37/10/194353710.db2.gz MWVIDJVQTGBFOT-RISCZKNCSA-N 2 1 301.356 2.341 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1N ZINC000111131523 194392919 /nfs/dbraw/zinc/39/29/19/194392919.db2.gz AHALEDKWZWTINS-UHFFFAOYSA-N 2 1 312.845 2.134 10 0 DEAEMP C[C@H](c1ccc(Cl)s1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178416 184276883 /nfs/dbraw/zinc/27/68/83/184276883.db2.gz MSLJSGVCEZWHBI-MNOVXSKESA-N 2 1 315.870 2.249 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000158295904 197261120 /nfs/dbraw/zinc/26/11/20/197261120.db2.gz WWGULYRHTPKMJT-QGZVFWFLSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157468032 197189728 /nfs/dbraw/zinc/18/97/28/197189728.db2.gz AMOGRZWPEGXDAB-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CCOCC)C(=O)OCC ZINC000157468032 197189730 /nfs/dbraw/zinc/18/97/30/197189730.db2.gz AMOGRZWPEGXDAB-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000247478303 285198633 /nfs/dbraw/zinc/19/86/33/285198633.db2.gz IWETUZZISRCTLA-HZPDHXFCSA-N 2 1 312.502 2.136 10 0 DEAEMP CCn1nc(C)c(CN2CC[C@@H](CNc3cccc(C)n3)C2)n1 ZINC000294834367 224252125 /nfs/dbraw/zinc/25/21/25/224252125.db2.gz NQSZVMBTLCLGMO-HNNXBMFYSA-N 2 1 314.437 2.244 10 0 DEAEMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000248040722 257112432 /nfs/dbraw/zinc/11/24/32/257112432.db2.gz VOKNWVZBSJUXOH-GVDBMIGSSA-N 2 1 324.490 2.448 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000358180883 133126773 /nfs/dbraw/zinc/12/67/73/133126773.db2.gz BLTVOOHBIVMSLK-QGZVFWFLSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000358180883 133126774 /nfs/dbraw/zinc/12/67/74/133126774.db2.gz BLTVOOHBIVMSLK-QGZVFWFLSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000358180883 133126775 /nfs/dbraw/zinc/12/67/75/133126775.db2.gz BLTVOOHBIVMSLK-QGZVFWFLSA-N 2 1 322.497 2.058 10 0 DEAEMP [NH3+][C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000563209408 292039509 /nfs/dbraw/zinc/03/95/09/292039509.db2.gz HAXVOPNOAADNJG-NUIAMIPMSA-N 2 1 313.445 2.036 10 0 DEAEMP C[N@H+]1C[C@@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000193602322 145088315 /nfs/dbraw/zinc/08/83/15/145088315.db2.gz FRALPYLKHZHYQJ-IYBDPMFKSA-N 2 1 312.417 2.163 10 0 DEAEMP C[N@@H+]1C[C@@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000193602322 145088316 /nfs/dbraw/zinc/08/83/16/145088316.db2.gz FRALPYLKHZHYQJ-IYBDPMFKSA-N 2 1 312.417 2.163 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000193602322 145088318 /nfs/dbraw/zinc/08/83/18/145088318.db2.gz FRALPYLKHZHYQJ-IYBDPMFKSA-N 2 1 312.417 2.163 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000193602322 145088319 /nfs/dbraw/zinc/08/83/19/145088319.db2.gz FRALPYLKHZHYQJ-IYBDPMFKSA-N 2 1 312.417 2.163 10 0 DEAEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193653069 145088718 /nfs/dbraw/zinc/08/87/18/145088718.db2.gz HWUXYVQCUDYLSY-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193653069 145088719 /nfs/dbraw/zinc/08/87/19/145088719.db2.gz HWUXYVQCUDYLSY-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000193653069 145088720 /nfs/dbraw/zinc/08/87/20/145088720.db2.gz HWUXYVQCUDYLSY-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000252744182 145201169 /nfs/dbraw/zinc/20/11/69/145201169.db2.gz VXSAECIQRJLYNZ-LSDHHAIUSA-N 2 1 307.438 2.406 10 0 DEAEMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261810808 145228891 /nfs/dbraw/zinc/22/88/91/145228891.db2.gz GNAXVJGASYSPDT-KGLIPLIRSA-N 2 1 313.405 2.422 10 0 DEAEMP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261875868 145236564 /nfs/dbraw/zinc/23/65/64/145236564.db2.gz DRJHEZCQNFQIPO-QRVBRYPASA-N 2 1 318.461 2.429 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922033 145241962 /nfs/dbraw/zinc/24/19/62/145241962.db2.gz IAFGLHVIGCCCRS-UONOGXRCSA-N 2 1 307.413 2.064 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261994016 145250710 /nfs/dbraw/zinc/25/07/10/145250710.db2.gz TUXDRXFBKUQVOM-QBPKDAKJSA-N 2 1 324.852 2.120 10 0 DEAEMP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)C1C[NH2+]C1 ZINC000262322834 145276807 /nfs/dbraw/zinc/27/68/07/145276807.db2.gz FNLWHPXLIOHPJV-CYBMUJFWSA-N 2 1 319.474 2.029 10 0 DEAEMP O=C1NCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348101980 146216207 /nfs/dbraw/zinc/21/62/07/146216207.db2.gz KDEVGAJFOWVILD-HQSKLWIPSA-N 2 1 313.445 2.050 10 0 DEAEMP O=C1NCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348101980 146216209 /nfs/dbraw/zinc/21/62/09/146216209.db2.gz KDEVGAJFOWVILD-HQSKLWIPSA-N 2 1 313.445 2.050 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000129031225 401797414 /nfs/dbraw/zinc/79/74/14/401797414.db2.gz MMQVOXOCYXAJFU-NVXWUHKLSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000079461687 401873216 /nfs/dbraw/zinc/87/32/16/401873216.db2.gz DOOSFPZCKZCRRT-TWMKSMIVSA-N 2 1 309.498 2.153 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000119097436 401925948 /nfs/dbraw/zinc/92/59/48/401925948.db2.gz JLHPBPRCYZJLEY-ZGRYLRDCSA-N 2 1 324.513 2.231 10 0 DEAEMP C(CC[N@H+]1CCOCC12CCC2)C[NH+]1CCOCC12CCC2 ZINC000135540808 401944237 /nfs/dbraw/zinc/94/42/37/401944237.db2.gz WEOCYJFBBHQPRQ-UHFFFAOYSA-N 2 1 308.466 2.276 10 0 DEAEMP CCC(CC)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121070621 402013041 /nfs/dbraw/zinc/01/30/41/402013041.db2.gz PCTMDCTUNWSIBI-SFHVURJKSA-N 2 1 311.514 2.149 10 0 DEAEMP CC[C@H]1CCCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093530203 402016393 /nfs/dbraw/zinc/01/63/93/402016393.db2.gz VLLPPSCDUNGJAM-KRWDZBQOSA-N 2 1 317.481 2.383 10 0 DEAEMP CC[C@H]1CCCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093530203 402016396 /nfs/dbraw/zinc/01/63/96/402016396.db2.gz VLLPPSCDUNGJAM-KRWDZBQOSA-N 2 1 317.481 2.383 10 0 DEAEMP CCCCOC(=O)CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000151112503 402017091 /nfs/dbraw/zinc/01/70/91/402017091.db2.gz SKBBSCNVMWIZFI-HNNXBMFYSA-N 2 1 305.422 2.467 10 0 DEAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000151329624 402030287 /nfs/dbraw/zinc/03/02/87/402030287.db2.gz DHKNAZDJCQFQSD-MOPGFXCFSA-N 2 1 320.477 2.228 10 0 DEAEMP COc1ccc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000124123194 402165104 /nfs/dbraw/zinc/16/51/04/402165104.db2.gz LZZIYKIOYNAVIA-OAHLLOKOSA-N 2 1 304.434 2.380 10 0 DEAEMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000237128991 402396165 /nfs/dbraw/zinc/39/61/65/402396165.db2.gz QPBOTKFSFZXOFB-QGZVFWFLSA-N 2 1 319.424 2.001 10 0 DEAEMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000237128991 402396166 /nfs/dbraw/zinc/39/61/66/402396166.db2.gz QPBOTKFSFZXOFB-QGZVFWFLSA-N 2 1 319.424 2.001 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000246756377 402543722 /nfs/dbraw/zinc/54/37/22/402543722.db2.gz MLTNJHLGHKGBDC-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246756377 402543725 /nfs/dbraw/zinc/54/37/25/402543725.db2.gz MLTNJHLGHKGBDC-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246756377 402543728 /nfs/dbraw/zinc/54/37/28/402543728.db2.gz MLTNJHLGHKGBDC-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246185521 402516869 /nfs/dbraw/zinc/51/68/69/402516869.db2.gz MCXGQCXQFZQYGV-BBWFWOEESA-N 2 1 324.513 2.231 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C12CCOCC2 ZINC000248905267 402613983 /nfs/dbraw/zinc/61/39/83/402613983.db2.gz BAYWDVPNWHKDEK-LUKYLMHMSA-N 2 1 308.466 2.177 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C12CCOCC2 ZINC000249060715 402618863 /nfs/dbraw/zinc/61/88/63/402618863.db2.gz YLJMOLBRIIAEDN-LUKYLMHMSA-N 2 1 310.482 2.281 10 0 DEAEMP COC[C@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000249774014 402641700 /nfs/dbraw/zinc/64/17/00/402641700.db2.gz KACWKEUITYYZRW-MJGOQNOKSA-N 2 1 319.493 2.237 10 0 DEAEMP Cc1cccc(NC[C@@H]2CCN(CC(=O)OCC(C)C)C2)n1 ZINC000181462147 402646026 /nfs/dbraw/zinc/64/60/26/402646026.db2.gz CJKCAAMFZGPKPH-HNNXBMFYSA-N 2 1 305.422 2.323 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000175370063 402800580 /nfs/dbraw/zinc/80/05/80/402800580.db2.gz RCSRJDHIHABVIL-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000175202833 402787482 /nfs/dbraw/zinc/78/74/82/402787482.db2.gz YFIZHTVPGOXAKW-GJZGRUSLSA-N 2 1 306.454 2.338 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000175202833 402787484 /nfs/dbraw/zinc/78/74/84/402787484.db2.gz YFIZHTVPGOXAKW-GJZGRUSLSA-N 2 1 306.454 2.338 10 0 DEAEMP CC(C)[C@@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638511857 405518379 /nfs/dbraw/zinc/51/83/79/405518379.db2.gz CCAVIWHVOOYSPG-WMZOPIPTSA-N 2 1 317.477 2.483 10 0 DEAEMP CC(C)[C@H]1CN(C(=O)CC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000638513415 405519800 /nfs/dbraw/zinc/51/98/00/405519800.db2.gz KXXMFQXLKVYONL-QGZVFWFLSA-N 2 1 315.461 2.237 10 0 DEAEMP O[C@@]1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000638679231 405613846 /nfs/dbraw/zinc/61/38/46/405613846.db2.gz SAVWTPFQKDMFDV-FCGDIQPGSA-N 2 1 300.446 2.259 10 0 DEAEMP O[C@@]1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638679231 405613856 /nfs/dbraw/zinc/61/38/56/405613856.db2.gz SAVWTPFQKDMFDV-FCGDIQPGSA-N 2 1 300.446 2.259 10 0 DEAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638111666 406574356 /nfs/dbraw/zinc/57/43/56/406574356.db2.gz PENDMGSAMUNQHE-AEFFLSMTSA-N 2 1 313.445 2.014 10 0 DEAEMP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638307209 406687982 /nfs/dbraw/zinc/68/79/82/406687982.db2.gz HVEGRDCMZWOGJT-BMGDILEWSA-N 2 1 313.445 2.061 10 0 DEAEMP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000638424747 406764731 /nfs/dbraw/zinc/76/47/31/406764731.db2.gz FDFSFZHWFZSWJP-RDJZCZTQSA-N 2 1 315.461 2.142 10 0 DEAEMP CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129433175 196047686 /nfs/dbraw/zinc/04/76/86/196047686.db2.gz DFGRWIJRKFVPIJ-UYTSQGDYSA-N 2 1 316.511 2.052 10 0 DEAEMP [NH3+]C1CC[NH+]([C@H]2CCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602200 196094512 /nfs/dbraw/zinc/09/45/12/196094512.db2.gz CRSUIFRIMQAJBV-ZDUSSCGKSA-N 2 1 311.832 2.477 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237683091 287271753 /nfs/dbraw/zinc/27/17/53/287271753.db2.gz KRQDCTOVAMCZGP-YYIAUSFCSA-N 2 1 307.482 2.227 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379663993 424908253 /nfs/dbraw/zinc/90/82/53/424908253.db2.gz NGNAOSOFAYYEBA-WBVHZDCISA-N 2 1 305.466 2.387 10 0 DEAEMP CC[C@H]1C[N@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000390767111 424917703 /nfs/dbraw/zinc/91/77/03/424917703.db2.gz RTIJTUUTSNZFLV-IRXDYDNUSA-N 2 1 303.450 2.094 10 0 DEAEMP CC[C@H]1C[N@@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000390767111 424917704 /nfs/dbraw/zinc/91/77/04/424917704.db2.gz RTIJTUUTSNZFLV-IRXDYDNUSA-N 2 1 303.450 2.094 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000398035626 424922125 /nfs/dbraw/zinc/92/21/25/424922125.db2.gz PNNWLXKYOXANKM-LTDKPHRXSA-N 2 1 315.461 2.283 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398041133 424922750 /nfs/dbraw/zinc/92/27/50/424922750.db2.gz RXWMKVARIUPDDI-LAVFITLUSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000309821539 424894260 /nfs/dbraw/zinc/89/42/60/424894260.db2.gz POXOVTLPNFHUBC-ODIFPOPNSA-N 2 1 303.450 2.141 10 0 DEAEMP Cc1cc(NCCC[NH+](CCO)C(C)C)[nH+]c2ccccc12 ZINC000584603337 424991469 /nfs/dbraw/zinc/99/14/69/424991469.db2.gz WQKUSOAHSFSGRP-UHFFFAOYSA-N 2 1 301.434 3.048 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000245429920 281053128 /nfs/dbraw/zinc/05/31/28/281053128.db2.gz ZHIOVCBDXQVXGY-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245429920 281053132 /nfs/dbraw/zinc/05/31/32/281053132.db2.gz ZHIOVCBDXQVXGY-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245429920 281053137 /nfs/dbraw/zinc/05/31/37/281053137.db2.gz ZHIOVCBDXQVXGY-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C2)[nH+]1 ZINC000195516157 281245258 /nfs/dbraw/zinc/24/52/58/281245258.db2.gz OKPHYCQVBYOKCX-HOTGVXAUSA-N 2 1 318.465 2.285 10 0 DEAEMP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)C(C)(C)C ZINC000172193204 289177419 /nfs/dbraw/zinc/17/74/19/289177419.db2.gz RNSXMGMZGUGKRU-MRXNPFEDSA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000124619958 297283569 /nfs/dbraw/zinc/28/35/69/297283569.db2.gz QKYZJSOREIPEPQ-MSOLQXFVSA-N 3 1 322.541 2.009 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCN1C ZINC000124619958 297283570 /nfs/dbraw/zinc/28/35/70/297283570.db2.gz QKYZJSOREIPEPQ-MSOLQXFVSA-N 2 1 322.541 2.009 10 0 DEAEMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230393595 646727763 /nfs/dbraw/zinc/72/77/63/646727763.db2.gz NATYCHAJDLJMGS-OWCLPIDISA-N 2 1 323.481 2.460 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000194693558 685075656 /nfs/dbraw/zinc/07/56/56/685075656.db2.gz XIIBCEHXBORKDW-INIZCTEOSA-N 2 1 312.502 2.282 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000721858840 780395034 /nfs/dbraw/zinc/39/50/34/780395034.db2.gz GALRVKZAIBQVEX-KBUPBQIOSA-N 2 1 311.470 2.314 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000721858840 780395042 /nfs/dbraw/zinc/39/50/42/780395042.db2.gz GALRVKZAIBQVEX-KBUPBQIOSA-N 2 1 311.470 2.314 10 0 DEAEMP COC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702039500 1086402434 /nfs/dbraw/zinc/40/24/34/1086402434.db2.gz LPTNTQHCYUMXAB-AEFFLSMTSA-N 2 1 302.418 2.003 10 0 DEAEMP COC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702039500 1086402444 /nfs/dbraw/zinc/40/24/44/1086402444.db2.gz LPTNTQHCYUMXAB-AEFFLSMTSA-N 2 1 302.418 2.003 10 0 DEAEMP COC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702039500 1086402445 /nfs/dbraw/zinc/40/24/45/1086402445.db2.gz LPTNTQHCYUMXAB-AEFFLSMTSA-N 2 1 302.418 2.003 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000710968395 1086692531 /nfs/dbraw/zinc/69/25/31/1086692531.db2.gz SWRJQSGYDACMKW-SJORKVTESA-N 2 1 304.434 2.250 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000710968395 1086692532 /nfs/dbraw/zinc/69/25/32/1086692532.db2.gz SWRJQSGYDACMKW-SJORKVTESA-N 2 1 304.434 2.250 10 0 DEAEMP CC[NH2+]CCC[NH2+]Cc1csc(I)c1 ZINC000163342998 197624893 /nfs/dbraw/zinc/62/48/93/197624893.db2.gz LDUITMZABXSPFJ-UHFFFAOYSA-N 2 1 324.231 2.442 10 0 DEAEMP C[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438769 185296623 /nfs/dbraw/zinc/29/66/23/185296623.db2.gz DIENTRPRFSQUPT-GXTWGEPZSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438769 185296624 /nfs/dbraw/zinc/29/66/24/185296624.db2.gz DIENTRPRFSQUPT-GXTWGEPZSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1cccc(Br)c1 ZINC000090438776 185296714 /nfs/dbraw/zinc/29/67/14/185296714.db2.gz KAFPWTDLBRROKE-OCCSQVGLSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1cccc(Br)c1 ZINC000090438776 185296715 /nfs/dbraw/zinc/29/67/15/185296715.db2.gz KAFPWTDLBRROKE-OCCSQVGLSA-N 2 1 313.239 2.115 10 0 DEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000249032411 534957308 /nfs/dbraw/zinc/95/73/08/534957308.db2.gz STNRJEWECLGBEN-IXDOHACOSA-N 2 1 310.482 2.282 10 0 DEAEMP CC[NH2+][C@H](Cc1ccc(CC)s1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149690168 186052732 /nfs/dbraw/zinc/05/27/32/186052732.db2.gz IHSIRDAWDRHFBN-LSDHHAIUSA-N 2 1 309.523 2.467 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171901097 198003743 /nfs/dbraw/zinc/00/37/43/198003743.db2.gz HPXYSNKMMVOSFJ-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901097 198003744 /nfs/dbraw/zinc/00/37/44/198003744.db2.gz HPXYSNKMMVOSFJ-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901097 198003746 /nfs/dbraw/zinc/00/37/46/198003746.db2.gz HPXYSNKMMVOSFJ-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NCCCCn1cc[nH+]c1C ZINC000173831582 198258827 /nfs/dbraw/zinc/25/88/27/198258827.db2.gz WOLPOZCDQUJKLD-CQSZACIVSA-N 2 1 309.458 2.001 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000174780171 198384736 /nfs/dbraw/zinc/38/47/36/198384736.db2.gz WTOVGOSHWZTDNP-HFTRVMKXSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000174780171 198384738 /nfs/dbraw/zinc/38/47/38/198384738.db2.gz WTOVGOSHWZTDNP-HFTRVMKXSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(F)cc2)[C@H](C)C1 ZINC000174780171 198384740 /nfs/dbraw/zinc/38/47/40/198384740.db2.gz WTOVGOSHWZTDNP-HFTRVMKXSA-N 2 1 324.440 2.228 10 0 DEAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000262327359 356341270 /nfs/dbraw/zinc/34/12/70/356341270.db2.gz XGLDOQKWHRABHH-SJORKVTESA-N 2 1 303.450 2.272 10 0 DEAEMP CC[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000262665950 356343697 /nfs/dbraw/zinc/34/36/97/356343697.db2.gz JTABYAWCOOKKKW-CGTJXYLNSA-N 2 1 315.461 2.067 10 0 DEAEMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000457513839 247844695 /nfs/dbraw/zinc/84/46/95/247844695.db2.gz FILWICFZGNXELR-QGZVFWFLSA-N 2 1 318.465 2.306 10 0 DEAEMP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918458 194168955 /nfs/dbraw/zinc/16/89/55/194168955.db2.gz MXSVPMVVDWDHIW-OAHLLOKOSA-N 2 1 318.465 2.076 10 0 DEAEMP C[C@H]1CN(c2nc(-c3ccccc3)c(C[NH3+])s2)CC[N@H+]1C ZINC000110760105 194356729 /nfs/dbraw/zinc/35/67/29/194356729.db2.gz MVMLXNKJKFHOTM-LBPRGKRZSA-N 2 1 302.447 2.409 10 0 DEAEMP CC[NH2+][C@](C)(CCC[N@H+](CC)CCOCC)C(=O)OCC ZINC000111122029 194392123 /nfs/dbraw/zinc/39/21/23/194392123.db2.gz GJVSXOPCTFLJKB-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@](C)(CCC[N@@H+](CC)CCOCC)C(=O)OCC ZINC000111122029 194392124 /nfs/dbraw/zinc/39/21/24/194392124.db2.gz GJVSXOPCTFLJKB-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014487 184201828 /nfs/dbraw/zinc/20/18/28/184201828.db2.gz ZDXQTAFCELBHNR-STQMWFEESA-N 2 1 309.841 2.153 10 0 DEAEMP C[N@@H+](Cc1nc2sccc2c(N)n1)CC1CC[NH+](C)CC1 ZINC000063121863 184271585 /nfs/dbraw/zinc/27/15/85/184271585.db2.gz VHHRMWAVPQFADS-UHFFFAOYSA-N 2 1 305.451 2.047 10 0 DEAEMP C[N@H+](Cc1nc2sccc2c(N)n1)CC1CC[NH+](C)CC1 ZINC000063121863 184271586 /nfs/dbraw/zinc/27/15/86/184271586.db2.gz VHHRMWAVPQFADS-UHFFFAOYSA-N 2 1 305.451 2.047 10 0 DEAEMP CCc1ccc([C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000063178299 184276698 /nfs/dbraw/zinc/27/66/98/184276698.db2.gz XTLUYYUBVZOGKD-STQMWFEESA-N 2 1 309.479 2.158 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](C)CCOC(C)C ZINC000157769116 197213939 /nfs/dbraw/zinc/21/39/39/197213939.db2.gz HWCFVOJTNIZMEU-SJORKVTESA-N 2 1 300.487 2.264 10 0 DEAEMP NC1=[NH+]C[C@@]2(CC[N@H+]3CCC[C@@H]3C2)N1c1ccc(Cl)cc1 ZINC000157255001 197174134 /nfs/dbraw/zinc/17/41/34/197174134.db2.gz FQQPMHBWFOETEL-ZBFHGGJFSA-N 2 1 304.825 2.472 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247426053 285265918 /nfs/dbraw/zinc/26/59/18/285265918.db2.gz VOSQCIRWQLUXOM-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000362888354 133257518 /nfs/dbraw/zinc/25/75/18/133257518.db2.gz BLKWKKIGJMHCQY-UHFFFAOYSA-N 2 1 321.440 2.106 10 0 DEAEMP Cc1ccc(CNC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000246923907 145119910 /nfs/dbraw/zinc/11/99/10/145119910.db2.gz QCPLTVQILHFEHP-HOCLYGCPSA-N 2 1 321.440 2.165 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246951149 145120609 /nfs/dbraw/zinc/12/06/09/145120609.db2.gz DCIRCPMFZXKLSU-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000246951149 145120610 /nfs/dbraw/zinc/12/06/10/145120610.db2.gz DCIRCPMFZXKLSU-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000246951149 145120611 /nfs/dbraw/zinc/12/06/11/145120611.db2.gz DCIRCPMFZXKLSU-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247371547 145135579 /nfs/dbraw/zinc/13/55/79/145135579.db2.gz RYPPIMZHDPERCW-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247371547 145135580 /nfs/dbraw/zinc/13/55/80/145135580.db2.gz RYPPIMZHDPERCW-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247371547 145135581 /nfs/dbraw/zinc/13/55/81/145135581.db2.gz RYPPIMZHDPERCW-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247371547 145135582 /nfs/dbraw/zinc/13/55/82/145135582.db2.gz RYPPIMZHDPERCW-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247944541 145145440 /nfs/dbraw/zinc/14/54/40/145145440.db2.gz HEXOYWUAQAKEGI-YQVWRLOYSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247944541 145145441 /nfs/dbraw/zinc/14/54/41/145145441.db2.gz HEXOYWUAQAKEGI-YQVWRLOYSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247944541 145145442 /nfs/dbraw/zinc/14/54/42/145145442.db2.gz HEXOYWUAQAKEGI-YQVWRLOYSA-N 2 1 318.461 2.151 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248825651 145169475 /nfs/dbraw/zinc/16/94/75/145169475.db2.gz GWTJAHIRULTFKD-HUUCEWRRSA-N 2 1 303.406 2.142 10 0 DEAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248825651 145169471 /nfs/dbraw/zinc/16/94/71/145169471.db2.gz GWTJAHIRULTFKD-HUUCEWRRSA-N 2 1 303.406 2.142 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000252645846 145199115 /nfs/dbraw/zinc/19/91/15/145199115.db2.gz CFOIXTTZQHGWTI-QLFBSQMISA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@H+]1C ZINC000252645846 145199117 /nfs/dbraw/zinc/19/91/17/145199117.db2.gz CFOIXTTZQHGWTI-QLFBSQMISA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1C ZINC000252645846 145199120 /nfs/dbraw/zinc/19/91/20/145199120.db2.gz CFOIXTTZQHGWTI-QLFBSQMISA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1C ZINC000252645846 145199122 /nfs/dbraw/zinc/19/91/22/145199122.db2.gz CFOIXTTZQHGWTI-QLFBSQMISA-N 2 1 312.479 2.040 10 0 DEAEMP c1nc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701653 145218450 /nfs/dbraw/zinc/21/84/50/145218450.db2.gz IAYJKWOMBOXDDT-INIZCTEOSA-N 2 1 302.466 2.398 10 0 DEAEMP Cn1c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2sc1=O ZINC000261792210 145226910 /nfs/dbraw/zinc/22/69/10/145226910.db2.gz GGCLDKUQLYQMMR-LBPRGKRZSA-N 2 1 305.447 2.161 10 0 DEAEMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000261811705 145229219 /nfs/dbraw/zinc/22/92/19/145229219.db2.gz HLESAYHWEBYPFY-SJORKVTESA-N 2 1 315.461 2.237 10 0 DEAEMP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261827421 145231546 /nfs/dbraw/zinc/23/15/46/145231546.db2.gz IVNRYGSSOZOEKT-WMLDXEAASA-N 2 1 302.418 2.149 10 0 DEAEMP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261827421 145231547 /nfs/dbraw/zinc/23/15/47/145231547.db2.gz IVNRYGSSOZOEKT-WMLDXEAASA-N 2 1 302.418 2.149 10 0 DEAEMP C[NH2+]CCc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261883916 145237944 /nfs/dbraw/zinc/23/79/44/145237944.db2.gz MVMIZESAOMMCDP-ALOPSCKCSA-N 2 1 315.461 2.194 10 0 DEAEMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261910128 145240456 /nfs/dbraw/zinc/24/04/56/145240456.db2.gz XWNOWXSTHPRGTM-GOSISDBHSA-N 2 1 303.450 2.210 10 0 DEAEMP CCOC(=O)[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261920482 145242075 /nfs/dbraw/zinc/24/20/75/145242075.db2.gz KJMXOIKSSYJNPD-QGZVFWFLSA-N 2 1 302.418 2.149 10 0 DEAEMP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262035113 145255005 /nfs/dbraw/zinc/25/50/05/145255005.db2.gz XXSIYIDYQUMYEI-LFDJNIOPSA-N 2 1 300.446 2.364 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262680892 145300011 /nfs/dbraw/zinc/30/00/11/145300011.db2.gz XIAPVLXLMBOKSI-XHSDSOJGSA-N 2 1 304.438 2.009 10 0 DEAEMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000309894778 145351050 /nfs/dbraw/zinc/35/10/50/145351050.db2.gz NPVAWLWUNCAOQL-QZTJIDSGSA-N 2 1 315.461 2.014 10 0 DEAEMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002947 145351989 /nfs/dbraw/zinc/35/19/89/145351989.db2.gz RSGXVWSSSDKVRR-FFHGMXDLSA-N 2 1 311.470 2.457 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654655 145396821 /nfs/dbraw/zinc/39/68/21/145396821.db2.gz DUICVCHSRKFSOT-UHOSZYNNSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336654655 145396823 /nfs/dbraw/zinc/39/68/23/145396823.db2.gz DUICVCHSRKFSOT-UHOSZYNNSA-N 2 1 319.493 2.241 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000358625146 147168450 /nfs/dbraw/zinc/16/84/50/147168450.db2.gz CCOZDGVQOVULNK-UHFFFAOYSA-N 2 1 322.497 2.012 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358666843 147177663 /nfs/dbraw/zinc/17/76/63/147177663.db2.gz OAXNABSKPQCOJO-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000358666843 147177665 /nfs/dbraw/zinc/17/76/65/147177665.db2.gz OAXNABSKPQCOJO-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000358666843 147177666 /nfs/dbraw/zinc/17/76/66/147177666.db2.gz OAXNABSKPQCOJO-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359283121 147298462 /nfs/dbraw/zinc/29/84/62/147298462.db2.gz YBPPHWOQHBVRNH-QGZVFWFLSA-N 2 1 309.498 2.443 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)C2 ZINC000372385187 148201645 /nfs/dbraw/zinc/20/16/45/148201645.db2.gz GXKYHHIYLYWPSV-ZDUSSCGKSA-N 2 1 318.465 2.191 10 0 DEAEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043139 401921202 /nfs/dbraw/zinc/92/12/02/401921202.db2.gz KHWAMHFMDNDPAV-JCYILVPMSA-N 2 1 324.513 2.088 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000089633104 401954629 /nfs/dbraw/zinc/95/46/29/401954629.db2.gz RHTMOVXOFDGJAB-CHWSQXEVSA-N 2 1 321.446 2.264 10 0 DEAEMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000124136922 402165578 /nfs/dbraw/zinc/16/55/78/402165578.db2.gz XEDXFDVGOYBYGH-UHFFFAOYSA-N 2 1 307.413 2.428 10 0 DEAEMP CC[NH+](CC)CC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000154851637 402236192 /nfs/dbraw/zinc/23/61/92/402236192.db2.gz QBFDYRBKHODUII-IBGZPJMESA-N 2 1 317.477 2.499 10 0 DEAEMP CC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128321 402212354 /nfs/dbraw/zinc/21/23/54/402212354.db2.gz QQQUWEONJFNDJN-LJQANCHMSA-N 2 1 318.461 2.343 10 0 DEAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000177001249 402358122 /nfs/dbraw/zinc/35/81/22/402358122.db2.gz FYYBZYIOKPSCNK-DLBZAZTESA-N 2 1 303.450 2.232 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000177001249 402358124 /nfs/dbraw/zinc/35/81/24/402358124.db2.gz FYYBZYIOKPSCNK-DLBZAZTESA-N 2 1 303.450 2.232 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035778 402362465 /nfs/dbraw/zinc/36/24/65/402362465.db2.gz KVDXTYGRDXRPQL-RTBURBONSA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035778 402362468 /nfs/dbraw/zinc/36/24/68/402362468.db2.gz KVDXTYGRDXRPQL-RTBURBONSA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035778 402362470 /nfs/dbraw/zinc/36/24/70/402362470.db2.gz KVDXTYGRDXRPQL-RTBURBONSA-N 2 1 320.477 2.228 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000177222543 402383051 /nfs/dbraw/zinc/38/30/51/402383051.db2.gz LTOSSVRDPHXDHS-NVXWUHKLSA-N 2 1 318.465 2.447 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CC[N@H+]1C ZINC000185187990 402332443 /nfs/dbraw/zinc/33/24/43/402332443.db2.gz KQJGEEVUOICQQM-JKSUJKDBSA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237673894 402417629 /nfs/dbraw/zinc/41/76/29/402417629.db2.gz SFCBOVNBEGAQGH-QZWWFDLISA-N 2 1 307.482 2.288 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000177664685 402424670 /nfs/dbraw/zinc/42/46/70/402424670.db2.gz FMWLFXRMYUWESI-ZDUSSCGKSA-N 2 1 312.404 2.489 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1nccs1 ZINC000245952357 402500030 /nfs/dbraw/zinc/50/00/30/402500030.db2.gz PNYOZPBOEDZGAN-DGCLKSJQSA-N 2 1 319.434 2.140 10 0 DEAEMP COC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000187717101 402509507 /nfs/dbraw/zinc/50/95/07/402509507.db2.gz YKXSLYHCEBAZSL-CVEARBPZSA-N 2 1 306.450 2.279 10 0 DEAEMP COC[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000187717101 402509508 /nfs/dbraw/zinc/50/95/08/402509508.db2.gz YKXSLYHCEBAZSL-CVEARBPZSA-N 2 1 306.450 2.279 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000178847986 402546787 /nfs/dbraw/zinc/54/67/87/402546787.db2.gz RLDRLWZJMNVXKK-NPYXIHBLSA-N 2 1 316.449 2.103 10 0 DEAEMP CCC[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1)[NH+](C)C ZINC000179110093 402573473 /nfs/dbraw/zinc/57/34/73/402573473.db2.gz JLGBSVQBZVVQAP-CABCVRRESA-N 2 1 306.454 2.339 10 0 DEAEMP CCC[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1)[NH+](C)C ZINC000179110109 402573647 /nfs/dbraw/zinc/57/36/47/402573647.db2.gz JLGBSVQBZVVQAP-HUUCEWRRSA-N 2 1 306.454 2.339 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246383581 402528216 /nfs/dbraw/zinc/52/82/16/402528216.db2.gz IMGFBEGYCBZNKL-ULQDDVLXSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246383581 402528217 /nfs/dbraw/zinc/52/82/17/402528217.db2.gz IMGFBEGYCBZNKL-ULQDDVLXSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246383581 402528218 /nfs/dbraw/zinc/52/82/18/402528218.db2.gz IMGFBEGYCBZNKL-ULQDDVLXSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246427790 402530815 /nfs/dbraw/zinc/53/08/15/402530815.db2.gz MKVKCFXQPBVZSZ-ZACQAIPSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC000246427790 402530817 /nfs/dbraw/zinc/53/08/17/402530817.db2.gz MKVKCFXQPBVZSZ-ZACQAIPSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2CC)[C@H](C)C1 ZINC000246427790 402530821 /nfs/dbraw/zinc/53/08/21/402530821.db2.gz MKVKCFXQPBVZSZ-ZACQAIPSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246474796 402532590 /nfs/dbraw/zinc/53/25/90/402532590.db2.gz QHYOTFKJSMOBDT-JKSUJKDBSA-N 2 1 312.502 2.090 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCCC(C)(C)C ZINC000178748422 402534482 /nfs/dbraw/zinc/53/44/82/402534482.db2.gz XMYZJAKTENGITE-HNNXBMFYSA-N 2 1 306.454 2.208 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCCC(C)(C)C ZINC000178748422 402534485 /nfs/dbraw/zinc/53/44/85/402534485.db2.gz XMYZJAKTENGITE-HNNXBMFYSA-N 2 1 306.454 2.208 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)C1 ZINC000246570980 402537264 /nfs/dbraw/zinc/53/72/64/402537264.db2.gz YPDIDGVNCJBWIJ-YVSFHVDLSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000249095628 402620848 /nfs/dbraw/zinc/62/08/48/402620848.db2.gz VKXFRMKGBBNPEH-QZTJIDSGSA-N 2 1 309.498 2.046 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213557 402672740 /nfs/dbraw/zinc/67/27/40/402672740.db2.gz XEKFLBLKRPFXGT-GJZGRUSLSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000182213557 402672742 /nfs/dbraw/zinc/67/27/42/402672742.db2.gz XEKFLBLKRPFXGT-GJZGRUSLSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182213557 402672744 /nfs/dbraw/zinc/67/27/44/402672744.db2.gz XEKFLBLKRPFXGT-GJZGRUSLSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182213557 402672746 /nfs/dbraw/zinc/67/27/46/402672746.db2.gz XEKFLBLKRPFXGT-GJZGRUSLSA-N 2 1 320.433 2.267 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174522049 402745234 /nfs/dbraw/zinc/74/52/34/402745234.db2.gz UBGAQOAQYZWPQZ-NVXWUHKLSA-N 2 1 324.513 2.233 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175466376 402808948 /nfs/dbraw/zinc/80/89/48/402808948.db2.gz FWBNNTQIMUKUAH-ZBFHGGJFSA-N 2 1 321.469 2.096 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175466376 402808949 /nfs/dbraw/zinc/80/89/49/402808949.db2.gz FWBNNTQIMUKUAH-ZBFHGGJFSA-N 2 1 321.469 2.096 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000175781485 402832225 /nfs/dbraw/zinc/83/22/25/402832225.db2.gz GCAODUFYOIJGJJ-SJORKVTESA-N 2 1 324.513 2.375 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175781485 402832227 /nfs/dbraw/zinc/83/22/27/402832227.db2.gz GCAODUFYOIJGJJ-SJORKVTESA-N 2 1 324.513 2.375 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000175781485 402832230 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c1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)ccc1C[NH+]1CCCCC1 ZINC000411693821 403941372 /nfs/dbraw/zinc/94/13/72/403941372.db2.gz MOQFLPCJMVKTDH-KDURUIRLSA-N 2 1 316.445 2.272 10 0 DEAEMP c1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc(N2CCCCC2)[nH+]1 ZINC000420251130 405301073 /nfs/dbraw/zinc/30/10/73/405301073.db2.gz KYNYYIBAZALIBL-QGZVFWFLSA-N 2 1 301.438 2.047 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118547 406579057 /nfs/dbraw/zinc/57/90/57/406579057.db2.gz AKHSFJKQKXDBTQ-YJBOKZPZSA-N 2 1 315.461 2.013 10 0 DEAEMP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129254720 196032836 /nfs/dbraw/zinc/03/28/36/196032836.db2.gz KBYYOZPYICWHIC-WTUNAVPPSA-N 2 1 310.873 2.385 10 0 DEAEMP c1ccc2nc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422704073 230171062 /nfs/dbraw/zinc/17/10/62/230171062.db2.gz OMEXSUNKYDCSRY-YTQUADARSA-N 2 1 311.429 2.482 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390700832 424917795 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C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398047017 269108105 /nfs/dbraw/zinc/10/81/05/269108105.db2.gz WDVTYVKTVFONIN-NEPXVJNWSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398047017 269108106 /nfs/dbraw/zinc/10/81/06/269108106.db2.gz WDVTYVKTVFONIN-NEPXVJNWSA-N 2 1 301.478 2.485 10 0 DEAEMP Cc1[nH+]c(N2CCc3ccccc3C2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000045947606 274842876 /nfs/dbraw/zinc/84/28/76/274842876.db2.gz LWMQMWSYFLOOOE-QGZVFWFLSA-N 2 1 323.444 2.194 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182759758 274896966 /nfs/dbraw/zinc/89/69/66/274896966.db2.gz RQXSSAYCWARGQP-PKOBYXMFSA-N 2 1 311.429 2.333 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261981261 275070727 /nfs/dbraw/zinc/07/07/27/275070727.db2.gz RQWJBBCTFBDCGL-MXASKKJJSA-N 2 1 302.418 2.257 10 0 DEAEMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000261811702 276125349 /nfs/dbraw/zinc/12/53/49/276125349.db2.gz HLESAYHWEBYPFY-IRXDYDNUSA-N 2 1 315.461 2.237 10 0 DEAEMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261805687 277103975 /nfs/dbraw/zinc/10/39/75/277103975.db2.gz HIATWQWKUNETJQ-SJORKVTESA-N 2 1 308.466 2.430 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261556516 279238025 /nfs/dbraw/zinc/23/80/25/279238025.db2.gz VZRYYMGUALNYND-RDJZCZTQSA-N 2 1 303.450 2.094 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261556516 279238028 /nfs/dbraw/zinc/23/80/28/279238028.db2.gz VZRYYMGUALNYND-RDJZCZTQSA-N 2 1 303.450 2.094 10 0 DEAEMP C[C@@H]1C[N@H+](C[C@H]2CCCN2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000246166584 297027396 /nfs/dbraw/zinc/02/73/96/297027396.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000246166584 297027397 /nfs/dbraw/zinc/02/73/97/297027397.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000246166584 297027399 /nfs/dbraw/zinc/02/73/99/297027399.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 2 1 309.498 2.046 10 0 DEAEMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328639411 534387717 /nfs/dbraw/zinc/38/77/17/534387717.db2.gz PLPDLLANWMPJJH-GFCCVEGCSA-N 2 1 316.371 2.062 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458468071 535448081 /nfs/dbraw/zinc/44/80/81/535448081.db2.gz WHYQGMYTZDLDSH-QGZVFWFLSA-N 2 1 324.513 2.140 10 0 DEAEMP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299740784 563938578 /nfs/dbraw/zinc/93/85/78/563938578.db2.gz BSDBPGZMNFATQQ-QAPCUYQASA-N 2 1 324.428 2.235 10 0 DEAEMP Cn1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C)c3)C2)c1 ZINC000886088673 692000707 /nfs/dbraw/zinc/00/07/07/692000707.db2.gz IBXNIZWETBNHBO-SFHVURJKSA-N 2 1 314.433 2.135 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000721858845 780394675 /nfs/dbraw/zinc/39/46/75/780394675.db2.gz GALRVKZAIBQVEX-LXTVHRRPSA-N 2 1 311.470 2.314 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000721858845 780394682 /nfs/dbraw/zinc/39/46/82/780394682.db2.gz GALRVKZAIBQVEX-LXTVHRRPSA-N 2 1 311.470 2.314 10 0 DEAEMP O[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638683 792982676 /nfs/dbraw/zinc/98/26/76/792982676.db2.gz PUYHTDDGTYRZBK-QXCZDIPSSA-N 2 1 300.446 2.400 10 0 DEAEMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714775 793002803 /nfs/dbraw/zinc/00/28/03/793002803.db2.gz WFZWQQCKJNUPMB-MHORFTMASA-N 2 1 315.461 2.154 10 0 DEAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730982 793003716 /nfs/dbraw/zinc/00/37/16/793003716.db2.gz ISZBEAOAQIDOOZ-DKIMLUQUSA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730982 793003725 /nfs/dbraw/zinc/00/37/25/793003725.db2.gz ISZBEAOAQIDOOZ-DKIMLUQUSA-N 2 1 315.461 2.106 10 0 DEAEMP C[N@@H+]1CC[C@](O)(C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722141938 1085186763 /nfs/dbraw/zinc/18/67/63/1085186763.db2.gz ADQUABFPPRRJQS-AWEZNQCLSA-N 2 1 303.233 2.192 10 0 DEAEMP C[N@H+]1CC[C@](O)(C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722141938 1085186767 /nfs/dbraw/zinc/18/67/67/1085186767.db2.gz ADQUABFPPRRJQS-AWEZNQCLSA-N 2 1 303.233 2.192 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136665999 282089036 /nfs/dbraw/zinc/08/90/36/282089036.db2.gz MDPJIHZHYADDKF-KLAILNCOSA-N 2 1 324.513 2.280 10 0 DEAEMP C[N@H+](Cc1ccc(N)c(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000078898906 185125583 /nfs/dbraw/zinc/12/55/83/185125583.db2.gz DYEXNYLHZUEOHU-GFCCVEGCSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(N)c(Br)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000078898906 185125584 /nfs/dbraw/zinc/12/55/84/185125584.db2.gz DYEXNYLHZUEOHU-GFCCVEGCSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(N)c(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000078898906 185125586 /nfs/dbraw/zinc/12/55/86/185125586.db2.gz DYEXNYLHZUEOHU-GFCCVEGCSA-N 2 1 312.255 2.415 10 0 DEAEMP C=Cn1cc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000194783557 282365376 /nfs/dbraw/zinc/36/53/76/282365376.db2.gz NRJDBBVXRNFFCJ-KRWDZBQOSA-N 2 1 311.433 2.333 10 0 DEAEMP C[NH2+][C@@H](C[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149554833 186051067 /nfs/dbraw/zinc/05/10/67/186051067.db2.gz LIIFYOHZVFKSHB-GWCFXTLKSA-N 2 1 301.356 2.000 10 0 DEAEMP CCC[NH2+][C@H](C)c1sc(C[C@H]2C[N@H+](C)CCN2C)nc1C ZINC000149766673 186052508 /nfs/dbraw/zinc/05/25/08/186052508.db2.gz FQOZVTDDZUXSIL-OCCSQVGLSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@H](C)c1sc(C[C@H]2C[N@@H+](C)CCN2C)nc1C ZINC000149766673 186052511 /nfs/dbraw/zinc/05/25/11/186052511.db2.gz FQOZVTDDZUXSIL-OCCSQVGLSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@H](C)c1sc(C[C@H]2CN(C)CC[N@@H+]2C)nc1C ZINC000149766673 186052513 /nfs/dbraw/zinc/05/25/13/186052513.db2.gz FQOZVTDDZUXSIL-OCCSQVGLSA-N 2 1 310.511 2.300 10 0 DEAEMP CCC[NH2+][C@H](C)c1sc(C[C@H]2CN(C)CC[N@H+]2C)nc1C ZINC000149766673 186052516 /nfs/dbraw/zinc/05/25/16/186052516.db2.gz FQOZVTDDZUXSIL-OCCSQVGLSA-N 2 1 310.511 2.300 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000309730798 539878277 /nfs/dbraw/zinc/87/82/77/539878277.db2.gz OZRONCHGRXLOMA-NVXWUHKLSA-N 2 1 303.450 2.013 10 0 DEAEMP CC[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000262665949 356343687 /nfs/dbraw/zinc/34/36/87/356343687.db2.gz JTABYAWCOOKKKW-BPQIPLTHSA-N 2 1 315.461 2.067 10 0 DEAEMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528617 283157949 /nfs/dbraw/zinc/15/79/49/283157949.db2.gz QXWXOILYHXKIEA-KGLIPLIRSA-N 2 1 311.470 2.316 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000193311610 201027283 /nfs/dbraw/zinc/02/72/83/201027283.db2.gz FDRXUKLGBIKLGB-HNNXBMFYSA-N 2 1 303.450 2.237 10 0 DEAEMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1ccc(N3CCCC3)nc1)C2 ZINC000275360421 212290392 /nfs/dbraw/zinc/29/03/92/212290392.db2.gz AZAPTGMYLLMFGF-MRXNPFEDSA-N 2 1 311.433 2.231 10 0 DEAEMP Brc1cnccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532904 367238008 /nfs/dbraw/zinc/23/80/08/367238008.db2.gz XVLSTQCXOYAFGV-TXEJJXNPSA-N 2 1 310.239 2.276 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000629562738 367253522 /nfs/dbraw/zinc/25/35/22/367253522.db2.gz GDAJKIVIXZOIMM-UHFFFAOYSA-N 2 1 301.228 2.117 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888131 368443203 /nfs/dbraw/zinc/44/32/03/368443203.db2.gz UGTIAMDKDQLFJP-AEFFLSMTSA-N 2 1 304.434 2.156 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CC[C@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857096 193319474 /nfs/dbraw/zinc/31/94/74/193319474.db2.gz ZYICVWIUZJKNEX-IRXDYDNUSA-N 2 1 300.487 2.407 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1COc1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334537 193360598 /nfs/dbraw/zinc/36/05/98/193360598.db2.gz XWPBDVCKOPGOHU-LLVKDONJSA-N 2 1 303.328 2.422 10 0 DEAEMP C[N@@H+](Cc1ccc(Br)cc1N)C[C@@H]1CC[NH+](C)C1 ZINC000094048044 193341889 /nfs/dbraw/zinc/34/18/89/193341889.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP C[N@H+](Cc1ccc(Br)cc1N)C[C@@H]1CC[NH+](C)C1 ZINC000094048044 193341890 /nfs/dbraw/zinc/34/18/90/193341890.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)cc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000094048044 193341892 /nfs/dbraw/zinc/34/18/92/193341892.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)cc1N)C[C@@H]1CC[N@@H+](C)C1 ZINC000094048044 193341894 /nfs/dbraw/zinc/34/18/94/193341894.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP COc1ccc(C[N@H+](C)C[C@H](C)C(N)=[NH2+])cc1Br ZINC000042459875 183272726 /nfs/dbraw/zinc/27/27/26/183272726.db2.gz HKLVVQFSJSFFFN-VIFPVBQESA-N 2 1 314.227 2.462 10 0 DEAEMP COc1ccc(C[N@@H+](C)C[C@H](C)C(N)=[NH2+])cc1Br ZINC000042459875 183272729 /nfs/dbraw/zinc/27/27/29/183272729.db2.gz HKLVVQFSJSFFFN-VIFPVBQESA-N 2 1 314.227 2.462 10 0 DEAEMP C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000043258593 183348452 /nfs/dbraw/zinc/34/84/52/183348452.db2.gz BQAMDGSPYVZYIT-BXKDBHETSA-N 2 1 318.284 2.146 10 0 DEAEMP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000043090412 183336002 /nfs/dbraw/zinc/33/60/02/183336002.db2.gz JYNFPTPLJWRGFL-RISCZKNCSA-N 2 1 312.255 2.085 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2)CC1 ZINC000105862055 194148824 /nfs/dbraw/zinc/14/88/24/194148824.db2.gz OKIIUMNEAFMNPL-MRXNPFEDSA-N 2 1 306.450 2.090 10 0 DEAEMP CCOCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000111121712 194391758 /nfs/dbraw/zinc/39/17/58/194391758.db2.gz ZCOLUPXKZYAXKH-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000111121712 194391760 /nfs/dbraw/zinc/39/17/60/194391760.db2.gz ZCOLUPXKZYAXKH-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP [NH3+]C[C@@]1(N2CC[NH+](Cc3ccccc3)CC2)CCCSC1 ZINC000061589916 184175870 /nfs/dbraw/zinc/17/58/70/184175870.db2.gz OZQLGOUGWHJFDD-KRWDZBQOSA-N 2 1 305.491 2.029 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034755 184202953 /nfs/dbraw/zinc/20/29/53/184202953.db2.gz KJSFMNPJDHNHDR-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCCOC)C(=O)OCC ZINC000062034755 184202954 /nfs/dbraw/zinc/20/29/54/184202954.db2.gz KJSFMNPJDHNHDR-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCCOC)C(=O)OC ZINC000062034982 184203115 /nfs/dbraw/zinc/20/31/15/184203115.db2.gz IYOTXWSXZRHXAW-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCCOC)C(=O)OC ZINC000062034982 184203118 /nfs/dbraw/zinc/20/31/18/184203118.db2.gz IYOTXWSXZRHXAW-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC(C)[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](C)CCOC(C)C ZINC000157771571 197214656 /nfs/dbraw/zinc/21/46/56/197214656.db2.gz CYVYITHVTSVHBH-SJORKVTESA-N 2 1 300.487 2.263 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000177868099 132530695 /nfs/dbraw/zinc/53/06/95/132530695.db2.gz LTJAVRHLRQJMPW-QGZVFWFLSA-N 2 1 324.513 2.092 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000357407876 133075807 /nfs/dbraw/zinc/07/58/07/133075807.db2.gz FPKYMJNUWMDRDL-CRAIPNDOSA-N 2 1 315.461 2.495 10 0 DEAEMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000357726687 133096259 /nfs/dbraw/zinc/09/62/59/133096259.db2.gz HTDYVWJOSRXHTM-MRXNPFEDSA-N 2 1 307.482 2.195 10 0 DEAEMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC000357726687 133096260 /nfs/dbraw/zinc/09/62/60/133096260.db2.gz HTDYVWJOSRXHTM-MRXNPFEDSA-N 2 1 307.482 2.195 10 0 DEAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000357881695 133107166 /nfs/dbraw/zinc/10/71/66/133107166.db2.gz RQNWKSMKMCMYRH-CCNLRDMRSA-N 2 1 315.461 2.248 10 0 DEAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000357881695 133107167 /nfs/dbraw/zinc/10/71/67/133107167.db2.gz RQNWKSMKMCMYRH-CCNLRDMRSA-N 2 1 315.461 2.248 10 0 DEAEMP O=C(NC1CC[NH+](CCC[NH+]2CCCC2)CC1)c1ccsc1 ZINC000193479280 145086219 /nfs/dbraw/zinc/08/62/19/145086219.db2.gz GQCXHJMJTSGGBY-UHFFFAOYSA-N 2 1 321.490 2.428 10 0 DEAEMP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1ccnc1 ZINC000247005624 145123050 /nfs/dbraw/zinc/12/30/50/145123050.db2.gz DBYCUDDOCUDOGZ-MAUKXSAKSA-N 2 1 324.428 2.355 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000247342971 145134181 /nfs/dbraw/zinc/13/41/81/145134181.db2.gz JHGJCWURZSQCDH-OIISXLGYSA-N 2 1 303.450 2.230 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000247342971 145134182 /nfs/dbraw/zinc/13/41/82/145134182.db2.gz JHGJCWURZSQCDH-OIISXLGYSA-N 2 1 303.450 2.230 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000247479063 145138460 /nfs/dbraw/zinc/13/84/60/145138460.db2.gz VYOOYDLOTCINBQ-YYIAUSFCSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000247479063 145138463 /nfs/dbraw/zinc/13/84/63/145138463.db2.gz VYOOYDLOTCINBQ-YYIAUSFCSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000247479063 145138465 /nfs/dbraw/zinc/13/84/65/145138465.db2.gz VYOOYDLOTCINBQ-YYIAUSFCSA-N 2 1 324.513 2.135 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCOCC2 ZINC000248998778 145175186 /nfs/dbraw/zinc/17/51/86/145175186.db2.gz PVBVGPOHFRUYPJ-SLUKUZTOSA-N 2 1 308.466 2.175 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C2)[nH+]1 ZINC000249884068 145190630 /nfs/dbraw/zinc/19/06/30/145190630.db2.gz OKPHYCQVBYOKCX-HZPDHXFCSA-N 2 1 318.465 2.285 10 0 DEAEMP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554241 145207536 /nfs/dbraw/zinc/20/75/36/145207536.db2.gz UCHCWOOVWMSSQY-SJORKVTESA-N 2 1 315.461 2.155 10 0 DEAEMP Cn1c2ccc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cc2sc1=O ZINC000261642310 145213128 /nfs/dbraw/zinc/21/31/28/145213128.db2.gz AIXMIYDXXDOFSQ-ZDUSSCGKSA-N 2 1 305.447 2.174 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261926929 145242357 /nfs/dbraw/zinc/24/23/57/145242357.db2.gz LFHALFCLUMGEMT-DJIMGWMZSA-N 2 1 322.424 2.471 10 0 DEAEMP C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000261950570 145246464 /nfs/dbraw/zinc/24/64/64/145246464.db2.gz KBBGABZAELYDTP-RHSMWYFYSA-N 2 1 315.461 2.019 10 0 DEAEMP C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000261950570 145246467 /nfs/dbraw/zinc/24/64/67/145246467.db2.gz KBBGABZAELYDTP-RHSMWYFYSA-N 2 1 315.461 2.019 10 0 DEAEMP Cn1c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2sc1=O ZINC000261990521 145251473 /nfs/dbraw/zinc/25/14/73/145251473.db2.gz KFHSWKAHTDGBEJ-UHFFFAOYSA-N 2 1 317.458 2.176 10 0 DEAEMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262005614 145252134 /nfs/dbraw/zinc/25/21/34/145252134.db2.gz UYSSFFKPKDYILY-ZACQAIPSSA-N 2 1 324.852 2.466 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262335520 145277206 /nfs/dbraw/zinc/27/72/06/145277206.db2.gz SEDPEQXZCUQFGN-CGLCSIQHSA-N 2 1 307.482 2.131 10 0 DEAEMP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCOC1 ZINC000359386941 147319273 /nfs/dbraw/zinc/31/92/73/147319273.db2.gz DCPWKERZAYJGLG-UHOSZYNNSA-N 2 1 318.461 2.292 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000111241648 401702963 /nfs/dbraw/zinc/70/29/63/401702963.db2.gz XOSZCQBPSJHVSX-UHFFFAOYSA-N 2 1 307.482 2.053 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@H](C)C1 ZINC000129091103 401798711 /nfs/dbraw/zinc/79/87/11/401798711.db2.gz CPXMDWUDKAMSFD-NVXWUHKLSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC000129091103 401798713 /nfs/dbraw/zinc/79/87/13/401798713.db2.gz CPXMDWUDKAMSFD-NVXWUHKLSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC000129091103 401798714 /nfs/dbraw/zinc/79/87/14/401798714.db2.gz CPXMDWUDKAMSFD-NVXWUHKLSA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000113579963 401782427 /nfs/dbraw/zinc/78/24/27/401782427.db2.gz UZKXBPCZLNZZRI-HZPDHXFCSA-N 2 1 322.497 2.129 10 0 DEAEMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004136 401978952 /nfs/dbraw/zinc/97/89/52/401978952.db2.gz IERSOGABEUNHDC-MRXNPFEDSA-N 2 1 320.481 2.323 10 0 DEAEMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004136 401978954 /nfs/dbraw/zinc/97/89/54/401978954.db2.gz IERSOGABEUNHDC-MRXNPFEDSA-N 2 1 320.481 2.323 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000122427947 402077809 /nfs/dbraw/zinc/07/78/09/402077809.db2.gz CJSKBHBCKOTGBL-VXLLPVPCSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154713058 402227547 /nfs/dbraw/zinc/22/75/47/402227547.db2.gz PFWXLACWYIAILP-QGZVFWFLSA-N 2 1 309.498 2.345 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156441936 402283047 /nfs/dbraw/zinc/28/30/47/402283047.db2.gz PUFSYWGMSSNHPG-WMLDXEAASA-N 2 1 301.434 2.057 10 0 DEAEMP CC/C=C/CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000184656385 402288866 /nfs/dbraw/zinc/28/88/66/402288866.db2.gz HQCBBKRIYYQVKY-SNAWJCMRSA-N 2 1 307.482 2.219 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2cccs2)CCN1C ZINC000177057809 402364869 /nfs/dbraw/zinc/36/48/69/402364869.db2.gz CFOIXTTZQHGWTI-KFWWJZLASA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000177057809 402364870 /nfs/dbraw/zinc/36/48/70/402364870.db2.gz CFOIXTTZQHGWTI-KFWWJZLASA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@H+]1C ZINC000177057809 402364872 /nfs/dbraw/zinc/36/48/72/402364872.db2.gz CFOIXTTZQHGWTI-KFWWJZLASA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2ccccc2F)CCN1C ZINC000177057774 402365143 /nfs/dbraw/zinc/36/51/43/402365143.db2.gz LBMXIXOWOSJUAK-PVAVHDDUSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000177057774 402365144 /nfs/dbraw/zinc/36/51/44/402365144.db2.gz LBMXIXOWOSJUAK-PVAVHDDUSA-N 2 1 324.440 2.118 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000177057774 402365145 /nfs/dbraw/zinc/36/51/45/402365145.db2.gz LBMXIXOWOSJUAK-PVAVHDDUSA-N 2 1 324.440 2.118 10 0 DEAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236656260 402371733 /nfs/dbraw/zinc/37/17/33/402371733.db2.gz CNGXBZDAGKWUDJ-WMLDXEAASA-N 2 1 303.450 2.270 10 0 DEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246032084 402504245 /nfs/dbraw/zinc/50/42/45/402504245.db2.gz MOSNPQKBXYFNMM-HUUCEWRRSA-N 2 1 303.454 2.277 10 0 DEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246032084 402504248 /nfs/dbraw/zinc/50/42/48/402504248.db2.gz MOSNPQKBXYFNMM-HUUCEWRRSA-N 2 1 303.454 2.277 10 0 DEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246032084 402504252 /nfs/dbraw/zinc/50/42/52/402504252.db2.gz MOSNPQKBXYFNMM-HUUCEWRRSA-N 2 1 303.454 2.277 10 0 DEAEMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178978906 402561486 /nfs/dbraw/zinc/56/14/86/402561486.db2.gz KGMVEMVWYDKLHB-MRXNPFEDSA-N 2 1 316.449 2.040 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247404594 402566362 /nfs/dbraw/zinc/56/63/62/402566362.db2.gz IDLKGGOLPMKPMP-HNSVSWJLSA-N 2 1 310.486 2.031 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247404594 402566366 /nfs/dbraw/zinc/56/63/66/402566366.db2.gz IDLKGGOLPMKPMP-HNSVSWJLSA-N 2 1 310.486 2.031 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247404594 402566369 /nfs/dbraw/zinc/56/63/69/402566369.db2.gz IDLKGGOLPMKPMP-HNSVSWJLSA-N 2 1 310.486 2.031 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000246212149 402518491 /nfs/dbraw/zinc/51/84/91/402518491.db2.gz CJSKBHBCKOTGBL-RDHHWEPZSA-N 2 1 324.513 2.135 10 0 DEAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855490 402533128 /nfs/dbraw/zinc/53/31/28/402533128.db2.gz HVMBEFWYHAZBJH-QZTJIDSGSA-N 2 1 315.461 2.061 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248452617 402591352 /nfs/dbraw/zinc/59/13/52/402591352.db2.gz GMBYEJIPXNDABN-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP C[C@@H]1C[C@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000179743373 402599835 /nfs/dbraw/zinc/59/98/35/402599835.db2.gz ULZVKVHXZCHWBT-HUUCEWRRSA-N 2 1 318.465 2.449 10 0 DEAEMP CCC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](C)C ZINC000181473540 402646565 /nfs/dbraw/zinc/64/65/65/402646565.db2.gz SMJDCUYUQPQCCF-BFYDXBDKSA-N 2 1 309.498 2.486 10 0 DEAEMP COC[C@@H](C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027184 402706025 /nfs/dbraw/zinc/70/60/25/402706025.db2.gz LOMKUCDRMGTYJP-FUHWJXTLSA-N 2 1 306.450 2.150 10 0 DEAEMP COC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027184 402706029 /nfs/dbraw/zinc/70/60/29/402706029.db2.gz LOMKUCDRMGTYJP-FUHWJXTLSA-N 2 1 306.450 2.150 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182759737 402714900 /nfs/dbraw/zinc/71/49/00/402714900.db2.gz RQXSSAYCWARGQP-IEBWSBKVSA-N 2 1 311.429 2.333 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000173278369 402690858 /nfs/dbraw/zinc/69/08/58/402690858.db2.gz UTYDXSMHXXUJFT-UKRRQHHQSA-N 2 1 324.513 2.420 10 0 DEAEMP c1csc(C[N@H+](CC2CC[NH2+]CC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000262313934 402723871 /nfs/dbraw/zinc/72/38/71/402723871.db2.gz ZHIWIJDXEYUOTD-OAHLLOKOSA-N 3 1 320.506 2.087 10 0 DEAEMP c1csc(CN(CC2CC[NH2+]CC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000262313934 402723873 /nfs/dbraw/zinc/72/38/73/402723873.db2.gz ZHIWIJDXEYUOTD-OAHLLOKOSA-N 2 1 320.506 2.087 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000333586713 403786048 /nfs/dbraw/zinc/78/60/48/403786048.db2.gz OEGKHKLSAZOBBA-DJIMGWMZSA-N 2 1 322.497 2.081 10 0 DEAEMP CC(C)(C)c1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)no1 ZINC000333858030 403887920 /nfs/dbraw/zinc/88/79/20/403887920.db2.gz PDFGEZSRLHCXLU-CABCVRRESA-N 2 1 319.449 2.173 10 0 DEAEMP CC(C)(C)c1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)no1 ZINC000333858030 403887926 /nfs/dbraw/zinc/88/79/26/403887926.db2.gz PDFGEZSRLHCXLU-CABCVRRESA-N 2 1 319.449 2.173 10 0 DEAEMP C([C@H]1CCOC1)[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066298 /nfs/dbraw/zinc/06/62/98/404066298.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 2 1 322.493 2.237 10 0 DEAEMP C([C@H]1CCOC1)[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066305 /nfs/dbraw/zinc/06/63/05/404066305.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 2 1 322.493 2.237 10 0 DEAEMP C([C@H]1CCOC1)[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066315 /nfs/dbraw/zinc/06/63/15/404066315.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 2 1 322.493 2.237 10 0 DEAEMP CSCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370189829 404362992 /nfs/dbraw/zinc/36/29/92/404362992.db2.gz BQUAEVJQQMDIDA-UHFFFAOYSA-N 2 1 313.555 2.478 10 0 DEAEMP CSCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370189829 404362999 /nfs/dbraw/zinc/36/29/99/404362999.db2.gz BQUAEVJQQMDIDA-UHFFFAOYSA-N 3 1 313.555 2.478 10 0 DEAEMP CSCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370189829 404363006 /nfs/dbraw/zinc/36/30/06/404363006.db2.gz BQUAEVJQQMDIDA-UHFFFAOYSA-N 3 1 313.555 2.478 10 0 DEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788656 405063392 /nfs/dbraw/zinc/06/33/92/405063392.db2.gz RIMICKDSYNKHRL-CJSSEVFESA-N 3 1 313.489 2.485 10 0 DEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788656 405063395 /nfs/dbraw/zinc/06/33/95/405063395.db2.gz RIMICKDSYNKHRL-CJSSEVFESA-N 2 1 313.489 2.485 10 0 DEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400788656 405063402 /nfs/dbraw/zinc/06/34/02/405063402.db2.gz RIMICKDSYNKHRL-CJSSEVFESA-N 2 1 313.489 2.485 10 0 DEAEMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000436287249 405067168 /nfs/dbraw/zinc/06/71/68/405067168.db2.gz ISZJYPQYEDTOMW-JONQDZQNSA-N 2 1 310.388 2.398 10 0 DEAEMP CCC1([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536955179 406281136 /nfs/dbraw/zinc/28/11/36/406281136.db2.gz RCXLFKJDHUGKCF-UHFFFAOYSA-N 2 1 311.470 2.461 10 0 DEAEMP CCC1([N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536955179 406281139 /nfs/dbraw/zinc/28/11/39/406281139.db2.gz RCXLFKJDHUGKCF-UHFFFAOYSA-N 2 1 311.470 2.461 10 0 DEAEMP c1[nH+]c(C2CCN(CC34CC(C3)C[NH2+]4)CC2)n2c1CCCC2 ZINC000634994946 406390506 /nfs/dbraw/zinc/39/05/06/406390506.db2.gz QWAYTQKRVNSGKR-UHFFFAOYSA-N 2 1 300.450 2.151 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635003146 406395754 /nfs/dbraw/zinc/39/57/54/406395754.db2.gz GPSUJFPVFLFZPV-QRQLOZEOSA-N 3 1 319.493 2.098 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000525300975 406483595 /nfs/dbraw/zinc/48/35/95/406483595.db2.gz SKBIENCFDCAYIC-KRWDZBQOSA-N 2 1 324.513 2.138 10 0 DEAEMP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000638079188 406558514 /nfs/dbraw/zinc/55/85/14/406558514.db2.gz CHOYSEPFVYTAPY-ROUUACIJSA-N 2 1 313.445 2.205 10 0 DEAEMP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000638079186 406558595 /nfs/dbraw/zinc/55/85/95/406558595.db2.gz CHOYSEPFVYTAPY-MSOLQXFVSA-N 2 1 313.445 2.205 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000129850337 196080755 /nfs/dbraw/zinc/08/07/55/196080755.db2.gz NZSHJEYFYRAWAC-HOTGVXAUSA-N 2 1 312.502 2.090 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000129850337 196080756 /nfs/dbraw/zinc/08/07/56/196080756.db2.gz NZSHJEYFYRAWAC-HOTGVXAUSA-N 2 1 312.502 2.090 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000129850337 196080758 /nfs/dbraw/zinc/08/07/58/196080758.db2.gz NZSHJEYFYRAWAC-HOTGVXAUSA-N 2 1 312.502 2.090 10 0 DEAEMP OCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000188044350 225008090 /nfs/dbraw/zinc/00/80/90/225008090.db2.gz CXKRGWFRWZLKAF-UHFFFAOYSA-N 2 1 302.462 2.446 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876285 424849666 /nfs/dbraw/zinc/84/96/66/424849666.db2.gz SHIGFVAOIGEGMK-GJZGRUSLSA-N 2 1 320.481 2.368 10 0 DEAEMP C[C@H]([NH3+])CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000194858494 424878691 /nfs/dbraw/zinc/87/86/91/424878691.db2.gz FACOFVPDSAUBGT-INIZCTEOSA-N 2 1 311.429 2.152 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390750916 424917577 /nfs/dbraw/zinc/91/75/77/424917577.db2.gz SIIXPVXWJJQBFX-IAGOWNOFSA-N 2 1 303.450 2.141 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157379931 276374843 /nfs/dbraw/zinc/37/48/43/276374843.db2.gz VOSQCIRWQLUXOM-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000261907971 289364800 /nfs/dbraw/zinc/36/48/00/289364800.db2.gz INZKTUMXOVPSEM-LVQVYYBASA-N 2 1 323.506 2.098 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccccc2F)CC1 ZINC000137593961 290085058 /nfs/dbraw/zinc/08/50/58/290085058.db2.gz TWAQJKVSYLAOJE-HNNXBMFYSA-N 2 1 308.441 2.393 10 0 DEAEMP NC(=O)c1c[nH+]ccc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000302127789 534512161 /nfs/dbraw/zinc/51/21/61/534512161.db2.gz BBMKSCAOHBUSTC-CYBMUJFWSA-N 2 1 302.422 2.390 10 0 DEAEMP NC(=O)c1c[nH+]ccc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000302127789 534512167 /nfs/dbraw/zinc/51/21/67/534512167.db2.gz BBMKSCAOHBUSTC-CYBMUJFWSA-N 2 1 302.422 2.390 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000248851629 523987626 /nfs/dbraw/zinc/98/76/26/523987626.db2.gz BIGVVKWXBXGFOX-ZWKOTPCHSA-N 2 1 309.413 2.321 10 0 DEAEMP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000246729197 524449861 /nfs/dbraw/zinc/44/98/61/524449861.db2.gz YDODYVLIXVYLOR-UWWQBHOKSA-N 2 1 315.461 2.067 10 0 DEAEMP C[NH2+][C@@H]1CCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000261931366 536362819 /nfs/dbraw/zinc/36/28/19/536362819.db2.gz CUDIYKPRKOQUGB-CYBMUJFWSA-N 2 1 308.495 2.093 10 0 DEAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261971569 536841212 /nfs/dbraw/zinc/84/12/12/536841212.db2.gz QQKSWSPFNVOLJB-UAGQMJEPSA-N 2 1 322.424 2.124 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)c1ccccc1 ZINC000066242292 625057400 /nfs/dbraw/zinc/05/74/00/625057400.db2.gz SIELQTRDKIYNAL-SJORKVTESA-N 2 1 318.465 2.153 10 0 DEAEMP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262302721 625157125 /nfs/dbraw/zinc/15/71/25/625157125.db2.gz OUHPVESLCCDOHI-QZWWFDLISA-N 2 1 307.482 2.097 10 0 DEAEMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098734 635545406 /nfs/dbraw/zinc/54/54/06/635545406.db2.gz LYLSHRRPEYZAMD-FXXCCUJSSA-N 2 1 306.450 2.280 10 0 DEAEMP [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379659460 685393349 /nfs/dbraw/zinc/39/33/49/685393349.db2.gz ARYYMYQGYZXCJF-ZWKOTPCHSA-N 2 1 315.461 2.285 10 0 DEAEMP Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nc(N)[nH+]1 ZINC000382894775 685405610 /nfs/dbraw/zinc/40/56/10/685405610.db2.gz LMSDOXCLKVKYDF-OAHLLOKOSA-N 2 1 311.433 2.298 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000194693573 685075632 /nfs/dbraw/zinc/07/56/32/685075632.db2.gz XIIBCEHXBORKDW-MRXNPFEDSA-N 2 1 312.502 2.282 10 0 DEAEMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710861832 1086689692 /nfs/dbraw/zinc/68/96/92/1086689692.db2.gz BCIJUDARZIKBML-AWEZNQCLSA-N 2 1 311.470 2.175 10 0 DEAEMP CC(C)[C@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000087526074 185227748 /nfs/dbraw/zinc/22/77/48/185227748.db2.gz OHNQCSNGUGXRMX-HNNXBMFYSA-N 2 1 309.479 2.013 10 0 DEAEMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)ccc1F ZINC000179406559 282224652 /nfs/dbraw/zinc/22/46/52/282224652.db2.gz SVXSJASXQGGCBF-ZDUSSCGKSA-N 2 1 310.413 2.332 10 0 DEAEMP CCN(CC(=O)OC(C)(C)C)C1CCN(Cc2ncc[nH]2)CC1 ZINC000190351293 282318744 /nfs/dbraw/zinc/31/87/44/282318744.db2.gz QMKOWSUPZDNKLP-UHFFFAOYSA-N 2 1 322.453 2.038 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915832 185463018 /nfs/dbraw/zinc/46/30/18/185463018.db2.gz WAIIIIMADSEUJS-DOTOQJQBSA-N 2 1 305.466 2.006 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423856 282387148 /nfs/dbraw/zinc/38/71/48/282387148.db2.gz JSGKYQRHYGATQI-STQMWFEESA-N 2 1 304.394 2.492 10 0 DEAEMP C[NH2+][C@@H](C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149594869 186051952 /nfs/dbraw/zinc/05/19/52/186051952.db2.gz YFIUIWAFSIIQHH-HIFRSBDPSA-N 2 1 311.857 2.245 10 0 DEAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000248663204 539775094 /nfs/dbraw/zinc/77/50/94/539775094.db2.gz ZEDACRGCPADAHS-RCCFBDPRSA-N 2 1 303.450 2.139 10 0 DEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCCC[C@H]2O)C1 ZINC000248663204 539775099 /nfs/dbraw/zinc/77/50/99/539775099.db2.gz ZEDACRGCPADAHS-RCCFBDPRSA-N 2 1 303.450 2.139 10 0 DEAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000248663204 539775103 /nfs/dbraw/zinc/77/51/03/539775103.db2.gz ZEDACRGCPADAHS-RCCFBDPRSA-N 2 1 303.450 2.139 10 0 DEAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000248663204 539775107 /nfs/dbraw/zinc/77/51/07/539775107.db2.gz ZEDACRGCPADAHS-RCCFBDPRSA-N 2 1 303.450 2.139 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309756377 539879088 /nfs/dbraw/zinc/87/90/88/539879088.db2.gz XBFJUUZAHDKOBE-OAHLLOKOSA-N 2 1 322.453 2.428 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309693228 539878191 /nfs/dbraw/zinc/87/81/91/539878191.db2.gz CITYAIDGDOODMW-DLBZAZTESA-N 2 1 303.450 2.093 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382701097 540124211 /nfs/dbraw/zinc/12/42/11/540124211.db2.gz MXSBTFYYHIETCR-QGZVFWFLSA-N 2 1 317.477 2.483 10 0 DEAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2nccn2c1 ZINC000608313838 361196639 /nfs/dbraw/zinc/19/66/39/361196639.db2.gz OJTFLHIPVAKMFM-CYBMUJFWSA-N 2 1 301.394 2.140 10 0 DEAEMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000610952850 361498037 /nfs/dbraw/zinc/49/80/37/361498037.db2.gz OBTBIIULWMVTOY-IYBDPMFKSA-N 2 1 302.418 2.293 10 0 DEAEMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000610952850 361498044 /nfs/dbraw/zinc/49/80/44/361498044.db2.gz OBTBIIULWMVTOY-IYBDPMFKSA-N 2 1 302.418 2.293 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3Br)C[C@H]21 ZINC000629518867 367231583 /nfs/dbraw/zinc/23/15/83/367231583.db2.gz MKVAHYCLWRSDJT-ZKYQVNSYSA-N 2 1 310.239 2.403 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3Br)C[C@H]21 ZINC000629518867 367231586 /nfs/dbraw/zinc/23/15/86/367231586.db2.gz MKVAHYCLWRSDJT-ZKYQVNSYSA-N 2 1 310.239 2.403 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000629569134 367256323 /nfs/dbraw/zinc/25/63/23/367256323.db2.gz OCSOHXUGYAOPSK-UHFFFAOYSA-N 2 1 307.257 2.178 10 0 DEAEMP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](CCOC)[C@@H](C)CC ZINC000093617617 193275164 /nfs/dbraw/zinc/27/51/64/193275164.db2.gz INNJXRGTGBLWRC-ULQDDVLXSA-N 2 1 300.487 2.264 10 0 DEAEMP OC[C@@]1([NH2+]C2CC2)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093857505 193319648 /nfs/dbraw/zinc/31/96/48/193319648.db2.gz QEXPFDGUEVTWMZ-ZIAGYGMSSA-N 2 1 306.372 2.296 10 0 DEAEMP [NH3+]C1(CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CCC1 ZINC000094294559 193356843 /nfs/dbraw/zinc/35/68/43/193356843.db2.gz OOODOENRNWWSEX-UHFFFAOYSA-N 2 1 307.463 2.054 10 0 DEAEMP CCC[NH2+][C@H]1[C@@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428445 193368361 /nfs/dbraw/zinc/36/83/61/193368361.db2.gz KDRUVYKKDIOFLY-CABCVRRESA-N 2 1 300.487 2.263 10 0 DEAEMP CC[NH2+][C@H]1[C@@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430086 193368688 /nfs/dbraw/zinc/36/86/88/193368688.db2.gz HKAUMPAKDNSOKI-KGLIPLIRSA-N 2 1 300.487 2.261 10 0 DEAEMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000104867319 194048830 /nfs/dbraw/zinc/04/88/30/194048830.db2.gz FPRDFZKZIQPRDT-DLBZAZTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[C@@H](c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@H+]1C)N1CC[NH2+]CC1 ZINC000109472467 194266874 /nfs/dbraw/zinc/26/68/74/194266874.db2.gz OUGDXGSIHQZEDU-FPMFFAJLSA-N 2 1 306.479 2.191 10 0 DEAEMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000110650064 194346705 /nfs/dbraw/zinc/34/67/05/194346705.db2.gz CHOMCGYNPYRZAC-SNVBAGLBSA-N 2 1 313.804 2.477 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000113591053 194605440 /nfs/dbraw/zinc/60/54/40/194605440.db2.gz KHKNTPSEUBRADF-HZPDHXFCSA-N 2 1 312.502 2.280 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000358173896 133126288 /nfs/dbraw/zinc/12/62/88/133126288.db2.gz WWXAQSPPBKOKPF-UHFFFAOYSA-N 2 1 324.513 2.447 10 0 DEAEMP Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000371800852 404474049 /nfs/dbraw/zinc/47/40/49/404474049.db2.gz DAOHJZZTINZDQY-CQSZACIVSA-N 2 1 301.365 2.203 10 0 DEAEMP Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000371800852 404474051 /nfs/dbraw/zinc/47/40/51/404474051.db2.gz DAOHJZZTINZDQY-CQSZACIVSA-N 2 1 301.365 2.203 10 0 DEAEMP c1cc(OCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCO2 ZINC000564986294 292125027 /nfs/dbraw/zinc/12/50/27/292125027.db2.gz LLXNTOOYSDTACM-SFHVURJKSA-N 2 1 318.417 2.260 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)[C@@H](C)C1 ZINC000246394846 145101370 /nfs/dbraw/zinc/10/13/70/145101370.db2.gz LDVCUEWDZCICMF-IMJJTQAJSA-N 2 1 301.434 2.432 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC000247133960 145127161 /nfs/dbraw/zinc/12/71/61/145127161.db2.gz SMIFZRXUANJBPU-ROUUACIJSA-N 2 1 324.428 2.461 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC000247133960 145127162 /nfs/dbraw/zinc/12/71/62/145127162.db2.gz SMIFZRXUANJBPU-ROUUACIJSA-N 2 1 324.428 2.461 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000247187231 145129175 /nfs/dbraw/zinc/12/91/75/145129175.db2.gz WGLOVZNKDYYPRO-PVAVHDDUSA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000247187231 145129176 /nfs/dbraw/zinc/12/91/76/145129176.db2.gz WGLOVZNKDYYPRO-PVAVHDDUSA-N 2 1 318.465 2.351 10 0 DEAEMP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248132202 145148318 /nfs/dbraw/zinc/14/83/18/145148318.db2.gz WSKJKHXLBXQSFU-MJGOQNOKSA-N 2 1 315.461 2.280 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)[nH+]1 ZINC000248554486 145158689 /nfs/dbraw/zinc/15/86/89/145158689.db2.gz HTUYBEXSBLBPAT-NWDGAFQWSA-N 2 1 303.328 2.047 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000249838923 145190989 /nfs/dbraw/zinc/19/09/89/145190989.db2.gz UMFBKHNMZYDPEX-HUUCEWRRSA-N 2 1 321.469 2.001 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000249838923 145190990 /nfs/dbraw/zinc/19/09/90/145190990.db2.gz UMFBKHNMZYDPEX-HUUCEWRRSA-N 2 1 321.469 2.001 10 0 DEAEMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261661169 145214552 /nfs/dbraw/zinc/21/45/52/145214552.db2.gz GHUKOYQPZOIMIU-HNNXBMFYSA-N 2 1 311.429 2.264 10 0 DEAEMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922039 145241478 /nfs/dbraw/zinc/24/14/78/145241478.db2.gz IAFGLHVIGCCCRS-ZIAGYGMSSA-N 2 1 307.413 2.064 10 0 DEAEMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261962642 145247996 /nfs/dbraw/zinc/24/79/96/145247996.db2.gz HKWIQOSSPAFSTH-INIZCTEOSA-N 2 1 300.431 2.391 10 0 DEAEMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261962642 145247998 /nfs/dbraw/zinc/24/79/98/145247998.db2.gz HKWIQOSSPAFSTH-INIZCTEOSA-N 2 1 300.431 2.391 10 0 DEAEMP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261974399 145248703 /nfs/dbraw/zinc/24/87/03/145248703.db2.gz QZFNQEPUPVPZLX-KSZLIROESA-N 2 1 304.434 2.121 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115415291 401827054 /nfs/dbraw/zinc/82/70/54/401827054.db2.gz HHOVHTAAWPBKFR-KRWDZBQOSA-N 2 1 321.440 2.378 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000136813956 401974412 /nfs/dbraw/zinc/97/44/12/401974412.db2.gz GJPYWWXKNDWPIB-INIZCTEOSA-N 2 1 318.465 2.341 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000098030403 402134745 /nfs/dbraw/zinc/13/47/45/402134745.db2.gz DYZAAJFZCSHGSS-ARFHVFGLSA-N 2 1 312.502 2.136 10 0 DEAEMP COC(=O)c1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123911083 402153498 /nfs/dbraw/zinc/15/34/98/402153498.db2.gz HFYWTVHHOQBXLQ-GOEBONIOSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123911083 402153500 /nfs/dbraw/zinc/15/35/00/402153500.db2.gz HFYWTVHHOQBXLQ-GOEBONIOSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123911083 402153502 /nfs/dbraw/zinc/15/35/02/402153502.db2.gz HFYWTVHHOQBXLQ-GOEBONIOSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123911083 402153503 /nfs/dbraw/zinc/15/35/03/402153503.db2.gz HFYWTVHHOQBXLQ-GOEBONIOSA-N 2 1 320.433 2.267 10 0 DEAEMP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)sc1C ZINC000176359635 402302827 /nfs/dbraw/zinc/30/28/27/402302827.db2.gz BREKNDXJEIJDGG-LBPRGKRZSA-N 2 1 311.495 2.285 10 0 DEAEMP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176403809 402306562 /nfs/dbraw/zinc/30/65/62/402306562.db2.gz DLICSHLOXIIFOD-MRXNPFEDSA-N 2 1 321.469 2.097 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176403809 402306566 /nfs/dbraw/zinc/30/65/66/402306566.db2.gz DLICSHLOXIIFOD-MRXNPFEDSA-N 2 1 321.469 2.097 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000177012680 402359361 /nfs/dbraw/zinc/35/93/61/402359361.db2.gz YYQDKNDOGYZFHE-KRWDZBQOSA-N 2 1 303.450 2.305 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035758 402362369 /nfs/dbraw/zinc/36/23/69/402362369.db2.gz KVDXTYGRDXRPQL-RBUKOAKNSA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035758 402362372 /nfs/dbraw/zinc/36/23/72/402362372.db2.gz KVDXTYGRDXRPQL-RBUKOAKNSA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177035758 402362374 /nfs/dbraw/zinc/36/23/74/402362374.db2.gz KVDXTYGRDXRPQL-RBUKOAKNSA-N 2 1 320.477 2.228 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000177420632 402400324 /nfs/dbraw/zinc/40/03/24/402400324.db2.gz IXCFWKZIHIDFOS-MRXNPFEDSA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@@](C)(O)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000162178436 402412144 /nfs/dbraw/zinc/41/21/44/402412144.db2.gz YBPNVHMBVNVVMC-QGZVFWFLSA-N 2 1 300.487 2.218 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000245467870 402464143 /nfs/dbraw/zinc/46/41/43/402464143.db2.gz KGDFCSPPYOOFSY-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245467870 402464144 /nfs/dbraw/zinc/46/41/44/402464144.db2.gz KGDFCSPPYOOFSY-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245681303 402478541 /nfs/dbraw/zinc/47/85/41/402478541.db2.gz VGZVNMNPEHEAOQ-SJORKVTESA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245681303 402478543 /nfs/dbraw/zinc/47/85/43/402478543.db2.gz VGZVNMNPEHEAOQ-SJORKVTESA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245681303 402478544 /nfs/dbraw/zinc/47/85/44/402478544.db2.gz VGZVNMNPEHEAOQ-SJORKVTESA-N 2 1 318.465 2.071 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000178313874 402483998 /nfs/dbraw/zinc/48/39/98/402483998.db2.gz WGLOVZNKDYYPRO-BHYGNILZSA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000178313874 402484001 /nfs/dbraw/zinc/48/40/01/402484001.db2.gz WGLOVZNKDYYPRO-BHYGNILZSA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC(C)(C)[NH3+])cc1 ZINC000178845723 402546293 /nfs/dbraw/zinc/54/62/93/402546293.db2.gz XNGRPWFWBKPIAJ-GFCCVEGCSA-N 2 1 300.406 2.485 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825037 402546345 /nfs/dbraw/zinc/54/63/45/402546345.db2.gz NXEJOYADSBKPSV-SCTDSRPQSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825037 402546347 /nfs/dbraw/zinc/54/63/47/402546347.db2.gz NXEJOYADSBKPSV-SCTDSRPQSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825037 402546350 /nfs/dbraw/zinc/54/63/50/402546350.db2.gz NXEJOYADSBKPSV-SCTDSRPQSA-N 2 1 320.477 2.397 10 0 DEAEMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000246856422 402547427 /nfs/dbraw/zinc/54/74/27/402547427.db2.gz BSKJYOFOTSVNAH-WMHQRMGPSA-N 2 1 304.434 2.317 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000246212161 402518365 /nfs/dbraw/zinc/51/83/65/402518365.db2.gz CJSKBHBCKOTGBL-ZGRYLRDCSA-N 2 1 324.513 2.135 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000246433365 402531548 /nfs/dbraw/zinc/53/15/48/402531548.db2.gz MWJPRTXGYJNVPA-RDJZCZTQSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000171479451 402589533 /nfs/dbraw/zinc/58/95/33/402589533.db2.gz MVWKJANQQVDEEC-DLBZAZTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000171479451 402589535 /nfs/dbraw/zinc/58/95/35/402589535.db2.gz MVWKJANQQVDEEC-DLBZAZTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000171479451 402589537 /nfs/dbraw/zinc/58/95/37/402589537.db2.gz MVWKJANQQVDEEC-DLBZAZTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000171479451 402589540 /nfs/dbraw/zinc/58/95/40/402589540.db2.gz MVWKJANQQVDEEC-DLBZAZTESA-N 2 1 303.450 2.280 10 0 DEAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000180397530 402614983 /nfs/dbraw/zinc/61/49/83/402614983.db2.gz GOXWTUBDSJFYAK-SMKXDYDZSA-N 2 1 301.434 2.431 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000192596452 402739316 /nfs/dbraw/zinc/73/93/16/402739316.db2.gz UCJWMZFANCMDGM-PBHICJAKSA-N 2 1 307.482 2.050 10 0 DEAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263304278 402756287 /nfs/dbraw/zinc/75/62/87/402756287.db2.gz XOWDTJPYYSUREB-STQMWFEESA-N 2 1 317.424 2.000 10 0 DEAEMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194067176 402783325 /nfs/dbraw/zinc/78/33/25/402783325.db2.gz JZSMKWXVZFWSSH-KZNAEPCWSA-N 2 1 322.493 2.423 10 0 DEAEMP O[C@@]1(C[NH2+][C@@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000341245698 403862479 /nfs/dbraw/zinc/86/24/79/403862479.db2.gz DFXRLXLCVWWLHK-IAGOWNOFSA-N 2 1 306.475 2.109 10 0 DEAEMP O[C@@]1(C[NH2+][C@@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000341245698 403862489 /nfs/dbraw/zinc/86/24/89/403862489.db2.gz DFXRLXLCVWWLHK-IAGOWNOFSA-N 2 1 306.475 2.109 10 0 DEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(CO)o2)C1 ZINC000328646206 404121460 /nfs/dbraw/zinc/12/14/60/404121460.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 1 315.417 2.121 10 0 DEAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000328646206 404121468 /nfs/dbraw/zinc/12/14/68/404121468.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 1 315.417 2.121 10 0 DEAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000328646206 404121479 /nfs/dbraw/zinc/12/14/79/404121479.db2.gz SNGDKAOIGPQJKI-INIZCTEOSA-N 2 1 315.417 2.121 10 0 DEAEMP c1ccc(OCCOCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420360084 405331111 /nfs/dbraw/zinc/33/11/11/405331111.db2.gz FYZQVWDUIPEQCD-SFHVURJKSA-N 2 1 304.434 2.158 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420360084 405331114 /nfs/dbraw/zinc/33/11/14/405331114.db2.gz FYZQVWDUIPEQCD-SFHVURJKSA-N 2 1 304.434 2.158 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000635005344 406397755 /nfs/dbraw/zinc/39/77/55/406397755.db2.gz UQLOOKUJQUIVMV-QRQLOZEOSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635005344 406397758 /nfs/dbraw/zinc/39/77/58/406397758.db2.gz UQLOOKUJQUIVMV-QRQLOZEOSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635005344 406397761 /nfs/dbraw/zinc/39/77/61/406397761.db2.gz UQLOOKUJQUIVMV-QRQLOZEOSA-N 3 1 301.478 2.486 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000130647573 196098876 /nfs/dbraw/zinc/09/88/76/196098876.db2.gz NGIPVXRYSSXEDV-AWEZNQCLSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000130647573 196098877 /nfs/dbraw/zinc/09/88/77/196098877.db2.gz NGIPVXRYSSXEDV-AWEZNQCLSA-N 2 1 311.832 2.477 10 0 DEAEMP C[C@@H](CNC(=O)C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000390778660 424917657 /nfs/dbraw/zinc/91/76/57/424917657.db2.gz PGJSPOGGDJQLAK-OOHWJJMZSA-N 2 1 303.450 2.141 10 0 DEAEMP [NH3+]C1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000390715385 424917890 /nfs/dbraw/zinc/91/78/90/424917890.db2.gz KKHHZHKKDVOIHB-AOCRQIFASA-N 2 1 315.461 2.142 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085401170 267387498 /nfs/dbraw/zinc/38/74/98/267387498.db2.gz PNBCAHWLBVIXRB-DOTOQJQBSA-N 2 1 324.513 2.090 10 0 DEAEMP C(C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910381 269141306 /nfs/dbraw/zinc/14/13/06/269141306.db2.gz NEIFBNGFIZBWDS-RTBURBONSA-N 2 1 322.493 2.382 10 0 DEAEMP C(C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910379 269141392 /nfs/dbraw/zinc/14/13/92/269141392.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 2 1 322.493 2.382 10 0 DEAEMP C(C[NH+]1CCC[C@]2(CCOC2)C1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910379 269141393 /nfs/dbraw/zinc/14/13/93/269141393.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 2 1 322.493 2.382 10 0 DEAEMP C(C[NH+]1CCC[C@]2(CCOC2)C1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910379 269141394 /nfs/dbraw/zinc/14/13/94/269141394.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 2 1 322.493 2.382 10 0 DEAEMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000247653864 276157428 /nfs/dbraw/zinc/15/74/28/276157428.db2.gz XMYSAZBASYVXIJ-MSOLQXFVSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000247653864 276157429 /nfs/dbraw/zinc/15/74/29/276157429.db2.gz XMYSAZBASYVXIJ-MSOLQXFVSA-N 2 1 317.477 2.150 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182376084 279123909 /nfs/dbraw/zinc/12/39/09/279123909.db2.gz AVANSJHXFFACOW-ZACQAIPSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000077793508 279158310 /nfs/dbraw/zinc/15/83/10/279158310.db2.gz FSLOFASWHBOEAE-ARFHVFGLSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183571120 281058170 /nfs/dbraw/zinc/05/81/70/281058170.db2.gz WLSHOFFGUQHZET-AWEZNQCLSA-N 2 1 304.438 2.142 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183571120 281058172 /nfs/dbraw/zinc/05/81/72/281058172.db2.gz WLSHOFFGUQHZET-AWEZNQCLSA-N 2 1 304.438 2.142 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000189367296 281247009 /nfs/dbraw/zinc/24/70/09/281247009.db2.gz MKTBBXLYOJNYQH-CHWSQXEVSA-N 2 1 317.355 2.437 10 0 DEAEMP C[C@@]1(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261919983 289163937 /nfs/dbraw/zinc/16/39/37/289163937.db2.gz BLSSZZDOWHXWGN-QFBILLFUSA-N 2 1 315.461 2.128 10 0 DEAEMP CC[NH+](CC)CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192673042 341880523 /nfs/dbraw/zinc/88/05/23/341880523.db2.gz ASGOOKSZRWFTQJ-UHFFFAOYSA-N 2 1 307.463 2.422 10 0 DEAEMP NC(=O)c1c[nH+]ccc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000302127790 534511447 /nfs/dbraw/zinc/51/14/47/534511447.db2.gz BBMKSCAOHBUSTC-ZDUSSCGKSA-N 2 1 302.422 2.390 10 0 DEAEMP NC(=O)c1c[nH+]ccc1N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000302127790 534511450 /nfs/dbraw/zinc/51/14/50/534511450.db2.gz BBMKSCAOHBUSTC-ZDUSSCGKSA-N 2 1 302.422 2.390 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111884278 521601087 /nfs/dbraw/zinc/60/10/87/521601087.db2.gz ZLTNIQVQIRQYJB-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H](CC[NH2+]C1CCN(C(N)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156199608 524498840 /nfs/dbraw/zinc/49/88/40/524498840.db2.gz IUMJHNHGSFJASG-HNNXBMFYSA-N 2 1 318.465 2.030 10 0 DEAEMP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302142061 526627634 /nfs/dbraw/zinc/62/76/34/526627634.db2.gz FJNMNLDRCSVBLO-UHFFFAOYSA-N 2 1 312.417 2.119 10 0 DEAEMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357910580 535231557 /nfs/dbraw/zinc/23/15/57/535231557.db2.gz VMWMUIHURDYUGH-MRXNPFEDSA-N 2 1 310.486 2.058 10 0 DEAEMP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357910580 535231561 /nfs/dbraw/zinc/23/15/61/535231561.db2.gz VMWMUIHURDYUGH-MRXNPFEDSA-N 2 1 310.486 2.058 10 0 DEAEMP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357910580 535231564 /nfs/dbraw/zinc/23/15/64/535231564.db2.gz VMWMUIHURDYUGH-MRXNPFEDSA-N 2 1 310.486 2.058 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247073165 536168117 /nfs/dbraw/zinc/16/81/17/536168117.db2.gz YQZCKBMIWITZEO-ROUUACIJSA-N 2 1 315.461 2.447 10 0 DEAEMP CCC[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000173353204 646766931 /nfs/dbraw/zinc/76/69/31/646766931.db2.gz DLAKKMYLMARCKK-KRWDZBQOSA-N 2 1 307.482 2.400 10 0 DEAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc[nH]c3)C2)ccn1 ZINC000886059629 691994987 /nfs/dbraw/zinc/99/49/87/691994987.db2.gz ICLSHBWSJSRDAZ-QGZVFWFLSA-N 2 1 300.406 2.125 10 0 DEAEMP CNC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734585 793005465 /nfs/dbraw/zinc/00/54/65/793005465.db2.gz WEPXOBXBVZCEEM-SPUZQDLCSA-N 2 1 315.461 2.154 10 0 DEAEMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300057507 799434818 /nfs/dbraw/zinc/43/48/18/799434818.db2.gz QAHPQGHZOQOQGZ-LSDHHAIUSA-N 2 1 311.470 2.317 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000701867901 1086388474 /nfs/dbraw/zinc/38/84/74/1086388474.db2.gz ODCNLYPQHIGWIK-XYSPPFBYSA-N 2 1 323.481 2.458 10 0 DEAEMP C[C@@H](CO)C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925122 1086626818 /nfs/dbraw/zinc/62/68/18/1086626818.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@@H](CO)C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925122 1086626822 /nfs/dbraw/zinc/62/68/22/1086626822.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@@H](CO)C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925122 1086626826 /nfs/dbraw/zinc/62/68/26/1086626826.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@@H](CO)C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925122 1086626830 /nfs/dbraw/zinc/62/68/30/1086626830.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 2 1 302.462 2.459 10 0 DEAEMP CC[NH2+]CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709632925 1086683907 /nfs/dbraw/zinc/68/39/07/1086683907.db2.gz HODLXVPDFGFEQP-KRWDZBQOSA-N 2 1 303.450 2.157 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711426595 1087101108 /nfs/dbraw/zinc/10/11/08/1087101108.db2.gz UHQASGMQSFOXRC-KFWWJZLASA-N 2 1 311.470 2.221 10 0 DEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434914 185250030 /nfs/dbraw/zinc/25/00/30/185250030.db2.gz JIIHAYCQGZXEDK-ZDUSSCGKSA-N 2 1 311.392 2.285 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000245434114 282387714 /nfs/dbraw/zinc/38/77/14/282387714.db2.gz PPMOHVWKRWYWGU-IRXDYDNUSA-N 2 1 307.482 2.192 10 0 DEAEMP C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@H]1C[N@@H+](C)CCN1C ZINC000149591131 186051746 /nfs/dbraw/zinc/05/17/46/186051746.db2.gz MWSFJHPSLYDMAG-STQMWFEESA-N 2 1 313.848 2.246 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684985 539878542 /nfs/dbraw/zinc/87/85/42/539878542.db2.gz BJLSUBUAPPPMGB-KBAYOESNSA-N 2 1 317.477 2.387 10 0 DEAEMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169782451 355982667 /nfs/dbraw/zinc/98/26/67/355982667.db2.gz PXEHMTPIWKOYIQ-KRWDZBQOSA-N 2 1 315.461 2.140 10 0 DEAEMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400528621 283158141 /nfs/dbraw/zinc/15/81/41/283158141.db2.gz QXWXOILYHXKIEA-ZIAGYGMSSA-N 2 1 311.470 2.316 10 0 DEAEMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328650289 356466627 /nfs/dbraw/zinc/46/66/27/356466627.db2.gz VNTJOEHWLFWHQB-CZUORRHYSA-N 2 1 303.381 2.250 10 0 DEAEMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328650289 356466632 /nfs/dbraw/zinc/46/66/32/356466632.db2.gz VNTJOEHWLFWHQB-CZUORRHYSA-N 2 1 303.381 2.250 10 0 DEAEMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536036063 540240787 /nfs/dbraw/zinc/24/07/87/540240787.db2.gz PZANPNWSEXRRQF-SJORKVTESA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536036063 540240789 /nfs/dbraw/zinc/24/07/89/540240789.db2.gz PZANPNWSEXRRQF-SJORKVTESA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536036063 540240794 /nfs/dbraw/zinc/24/07/94/540240794.db2.gz PZANPNWSEXRRQF-SJORKVTESA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536036063 540240796 /nfs/dbraw/zinc/24/07/96/540240796.db2.gz PZANPNWSEXRRQF-SJORKVTESA-N 2 1 301.434 2.164 10 0 DEAEMP COC(=O)c1ccccc1CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187120142 200065252 /nfs/dbraw/zinc/06/52/52/200065252.db2.gz UUGZYJVSDCNLDA-HOCLYGCPSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187120142 200065254 /nfs/dbraw/zinc/06/52/54/200065254.db2.gz UUGZYJVSDCNLDA-HOCLYGCPSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000187120142 200065255 /nfs/dbraw/zinc/06/52/55/200065255.db2.gz UUGZYJVSDCNLDA-HOCLYGCPSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000187120142 200065257 /nfs/dbraw/zinc/06/52/57/200065257.db2.gz UUGZYJVSDCNLDA-HOCLYGCPSA-N 2 1 304.434 2.430 10 0 DEAEMP C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631837488 368415430 /nfs/dbraw/zinc/41/54/30/368415430.db2.gz BVRKVULLWIZVGA-RYUDHWBXSA-N 2 1 313.239 2.355 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@H]([N@@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783249 193307573 /nfs/dbraw/zinc/30/75/73/193307573.db2.gz NUMVCWHNHSDDDU-YESZJQIVSA-N 2 1 300.487 2.407 10 0 DEAEMP CCC(CC)[N@@H+](CCOC)[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093857100 193319460 /nfs/dbraw/zinc/31/94/60/193319460.db2.gz FYKYRVWLFFKQFA-DLBZAZTESA-N 2 1 300.487 2.405 10 0 DEAEMP CN(C[C@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334362 193360238 /nfs/dbraw/zinc/36/02/38/193360238.db2.gz ZVOLNFDFMVJNNW-LLVKDONJSA-N 2 1 302.344 2.090 10 0 DEAEMP C[NH2+][C@H]1CCCc2nc(N3CC[N@H+]4CCCC[C@@H]4C3)sc21 ZINC000094444106 193369430 /nfs/dbraw/zinc/36/94/30/193369430.db2.gz NFNDNPGDWPLXLB-OLZOCXBDSA-N 2 1 306.479 2.414 10 0 DEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH2+]CCc1ccsc1 ZINC000094443919 193370225 /nfs/dbraw/zinc/37/02/25/193370225.db2.gz KLPMHJHKRYLICU-DOTOQJQBSA-N 2 1 307.507 2.439 10 0 DEAEMP CNC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383347 245103406 /nfs/dbraw/zinc/10/34/06/245103406.db2.gz SMFNWWREVXMGTH-NRSFXHEJSA-N 2 1 315.461 2.296 10 0 DEAEMP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019281785 182112132 /nfs/dbraw/zinc/11/21/32/182112132.db2.gz APZHQJIOIFSWPJ-JTQLQIEISA-N 2 1 318.284 2.148 10 0 DEAEMP Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876789 194154563 /nfs/dbraw/zinc/15/45/63/194154563.db2.gz PLCVEAKEAJJLFL-UHFFFAOYSA-N 2 1 301.438 2.225 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111121821 194391945 /nfs/dbraw/zinc/39/19/45/194391945.db2.gz KOZRLIJIMLPNEV-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](CC)CCOCC)C(=O)OC ZINC000111121821 194391947 /nfs/dbraw/zinc/39/19/47/194391947.db2.gz KOZRLIJIMLPNEV-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000156442478 197113279 /nfs/dbraw/zinc/11/32/79/197113279.db2.gz ARVFPCKMENNHTQ-CVEARBPZSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000245425490 285235298 /nfs/dbraw/zinc/23/52/98/285235298.db2.gz TVRLHDLJOQNBAF-YESZJQIVSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245425490 285235299 /nfs/dbraw/zinc/23/52/99/285235299.db2.gz TVRLHDLJOQNBAF-YESZJQIVSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000245425490 285235301 /nfs/dbraw/zinc/23/53/01/285235301.db2.gz TVRLHDLJOQNBAF-YESZJQIVSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245665498 285256810 /nfs/dbraw/zinc/25/68/10/285256810.db2.gz DTGIJHDXPMPGTF-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121176062 195303499 /nfs/dbraw/zinc/30/34/99/195303499.db2.gz JZVIEWATNJGQKA-ARFHVFGLSA-N 2 1 324.513 2.231 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000358174194 133126293 /nfs/dbraw/zinc/12/62/93/133126293.db2.gz XWPQRHNRXXRMFE-UHFFFAOYSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000358180875 133126427 /nfs/dbraw/zinc/12/64/27/133126427.db2.gz BLTVOOHBIVMSLK-KRWDZBQOSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000358180875 133126428 /nfs/dbraw/zinc/12/64/28/133126428.db2.gz BLTVOOHBIVMSLK-KRWDZBQOSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000358180875 133126429 /nfs/dbraw/zinc/12/64/29/133126429.db2.gz BLTVOOHBIVMSLK-KRWDZBQOSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358192170 133127367 /nfs/dbraw/zinc/12/73/67/133127367.db2.gz PBOVBVVHYKYFBL-IRXDYDNUSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000358192170 133127368 /nfs/dbraw/zinc/12/73/68/133127368.db2.gz PBOVBVVHYKYFBL-IRXDYDNUSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000358192170 133127369 /nfs/dbraw/zinc/12/73/69/133127369.db2.gz PBOVBVVHYKYFBL-IRXDYDNUSA-N 2 1 322.497 2.058 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180783 /nfs/dbraw/zinc/18/07/83/133180783.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180784 /nfs/dbraw/zinc/18/07/84/133180784.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180785 /nfs/dbraw/zinc/18/07/85/133180785.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180786 /nfs/dbraw/zinc/18/07/86/133180786.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180787 /nfs/dbraw/zinc/18/07/87/133180787.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180788 /nfs/dbraw/zinc/18/07/88/133180788.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000360416879 133180789 /nfs/dbraw/zinc/18/07/89/133180789.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 3 1 311.514 2.055 10 0 DEAEMP COc1ccccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000192952955 145080728 /nfs/dbraw/zinc/08/07/28/145080728.db2.gz VVVZEBSYVCTPCK-MGNMYUMUSA-N 2 1 315.461 2.489 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000247154967 145127236 /nfs/dbraw/zinc/12/72/36/145127236.db2.gz LXZJKEWXTPJHAU-CVEARBPZSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000247154967 145127237 /nfs/dbraw/zinc/12/72/37/145127237.db2.gz LXZJKEWXTPJHAU-CVEARBPZSA-N 2 1 318.465 2.483 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCCN(C(C)C)C1=O ZINC000247193207 145129212 /nfs/dbraw/zinc/12/92/12/145129212.db2.gz WQSGLMIORYSFER-CVEARBPZSA-N 2 1 304.438 2.055 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCCN(C(C)C)C1=O ZINC000247193207 145129213 /nfs/dbraw/zinc/12/92/13/145129213.db2.gz WQSGLMIORYSFER-CVEARBPZSA-N 2 1 304.438 2.055 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247255371 145130619 /nfs/dbraw/zinc/13/06/19/145130619.db2.gz NSNRCUDLSHITHR-SJORKVTESA-N 2 1 324.513 2.377 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654631 145163353 /nfs/dbraw/zinc/16/33/53/145163353.db2.gz PPNNXKQBQLRZQZ-JQHSSLGASA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654631 145163354 /nfs/dbraw/zinc/16/33/54/145163354.db2.gz PPNNXKQBQLRZQZ-JQHSSLGASA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654631 145163356 /nfs/dbraw/zinc/16/33/56/145163356.db2.gz PPNNXKQBQLRZQZ-JQHSSLGASA-N 2 1 310.482 2.113 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000252645847 145199320 /nfs/dbraw/zinc/19/93/20/145199320.db2.gz CFOIXTTZQHGWTI-RBSFLKMASA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@H+]1C ZINC000252645847 145199321 /nfs/dbraw/zinc/19/93/21/145199321.db2.gz CFOIXTTZQHGWTI-RBSFLKMASA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1C ZINC000252645847 145199322 /nfs/dbraw/zinc/19/93/22/145199322.db2.gz CFOIXTTZQHGWTI-RBSFLKMASA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1C ZINC000252645847 145199323 /nfs/dbraw/zinc/19/93/23/145199323.db2.gz CFOIXTTZQHGWTI-RBSFLKMASA-N 2 1 312.479 2.040 10 0 DEAEMP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261549154 145207216 /nfs/dbraw/zinc/20/72/16/145207216.db2.gz OGTAHBCRDAIHPY-KURKYZTESA-N 2 1 315.461 2.237 10 0 DEAEMP Cn1c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000261642453 145212966 /nfs/dbraw/zinc/21/29/66/145212966.db2.gz AKSLMIVUHWDFQP-BFHYXJOUSA-N 2 1 317.458 2.159 10 0 DEAEMP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000261950572 145246227 /nfs/dbraw/zinc/24/62/27/145246227.db2.gz KBBGABZAELYDTP-WMLDXEAASA-N 2 1 315.461 2.019 10 0 DEAEMP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000261950572 145246229 /nfs/dbraw/zinc/24/62/29/145246229.db2.gz KBBGABZAELYDTP-WMLDXEAASA-N 2 1 315.461 2.019 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261954420 145246530 /nfs/dbraw/zinc/24/65/30/145246530.db2.gz OTSPTZWKIRGNQG-KSZLIROESA-N 2 1 304.434 2.332 10 0 DEAEMP CCN(C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960260 145246936 /nfs/dbraw/zinc/24/69/36/145246936.db2.gz HFFQQPNZQBWVQC-ZIAGYGMSSA-N 2 1 307.404 2.192 10 0 DEAEMP Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262054008 145257634 /nfs/dbraw/zinc/25/76/34/145257634.db2.gz ZZBFAIRURDYGCT-ZACQAIPSSA-N 2 1 310.388 2.254 10 0 DEAEMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000262071676 145259182 /nfs/dbraw/zinc/25/91/82/145259182.db2.gz GCIHINIQRYRSCX-ZDUSSCGKSA-N 2 1 323.506 2.333 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654662 145396467 /nfs/dbraw/zinc/39/64/67/145396467.db2.gz DUICVCHSRKFSOT-WDSOQIARSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336654662 145396470 /nfs/dbraw/zinc/39/64/70/145396470.db2.gz DUICVCHSRKFSOT-WDSOQIARSA-N 2 1 319.493 2.241 10 0 DEAEMP CCCNC(=O)[C@@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370306281 148004733 /nfs/dbraw/zinc/00/47/33/148004733.db2.gz UUWTYWHHSVCRTN-HUUCEWRRSA-N 2 1 318.465 2.314 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000127565827 401740616 /nfs/dbraw/zinc/74/06/16/401740616.db2.gz JHGJCWURZSQCDH-HYVNUMGLSA-N 2 1 303.450 2.230 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000127565827 401740618 /nfs/dbraw/zinc/74/06/18/401740618.db2.gz JHGJCWURZSQCDH-HYVNUMGLSA-N 2 1 303.450 2.230 10 0 DEAEMP C[NH+](C)Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000075163157 401753419 /nfs/dbraw/zinc/75/34/19/401753419.db2.gz RCOUPXJYSGTHHS-AYHJJNSGSA-N 2 1 315.461 2.493 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000080582906 401890706 /nfs/dbraw/zinc/89/07/06/401890706.db2.gz CAZZIPDXUOKWHN-INIZCTEOSA-N 2 1 324.513 2.282 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516298 401943227 /nfs/dbraw/zinc/94/32/27/401943227.db2.gz HXFJGDITFWWHQD-QAPCUYQASA-N 2 1 317.477 2.280 10 0 DEAEMP CC1(C)CC(NC(=O)N2CCC[N@H+](C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000061794161 402108801 /nfs/dbraw/zinc/10/88/01/402108801.db2.gz XZVNBRNYLLIDPQ-UHFFFAOYSA-N 2 1 322.497 2.175 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000176278139 402296279 /nfs/dbraw/zinc/29/62/79/402296279.db2.gz ZHGWEIBGFARXDE-SJORKVTESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000177386579 402396772 /nfs/dbraw/zinc/39/67/72/402396772.db2.gz ZTHAXZLTABCUCA-QGZVFWFLSA-N 2 1 324.513 2.233 10 0 DEAEMP CCC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+](C)C ZINC000161727735 402397210 /nfs/dbraw/zinc/39/72/10/402397210.db2.gz JCEYSLQSVVRHDF-KRWDZBQOSA-N 2 1 305.466 2.485 10 0 DEAEMP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCOCC2 ZINC000186323653 402421053 /nfs/dbraw/zinc/42/10/53/402421053.db2.gz HOARIGLLWSOKFP-IRXDYDNUSA-N 2 1 310.482 2.425 10 0 DEAEMP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCOCC2 ZINC000186323653 402421056 /nfs/dbraw/zinc/42/10/56/402421056.db2.gz HOARIGLLWSOKFP-IRXDYDNUSA-N 2 1 310.482 2.425 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000177314536 402390511 /nfs/dbraw/zinc/39/05/11/402390511.db2.gz XEXSCALNSPEGAB-INIZCTEOSA-N 2 1 324.513 2.377 10 0 DEAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000245764995 402486647 /nfs/dbraw/zinc/48/66/47/402486647.db2.gz QLUXXUBMRHXYLX-MOPGFXCFSA-N 2 1 321.509 2.070 10 0 DEAEMP C[NH2+]CCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178845663 402546044 /nfs/dbraw/zinc/54/60/44/402546044.db2.gz QLHQSSPVDRNQJO-ZDUSSCGKSA-N 2 1 300.406 2.358 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000171063282 402553664 /nfs/dbraw/zinc/55/36/64/402553664.db2.gz VBHYBTWFCYJZCE-HNNXBMFYSA-N 2 1 312.502 2.138 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000246199111 402517851 /nfs/dbraw/zinc/51/78/51/402517851.db2.gz MWZOKDYKCCHBGS-BBWFWOEESA-N 2 1 324.513 2.231 10 0 DEAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855498 402533232 /nfs/dbraw/zinc/53/32/32/402533232.db2.gz HVMBEFWYHAZBJH-ROUUACIJSA-N 2 1 315.461 2.061 10 0 DEAEMP c1nnc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1C1CC1 ZINC000180868651 402628555 /nfs/dbraw/zinc/62/85/55/402628555.db2.gz DQYLMCXRDUYULX-HNNXBMFYSA-N 2 1 303.454 2.278 10 0 DEAEMP c1nnc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1C1CC1 ZINC000180868651 402628556 /nfs/dbraw/zinc/62/85/56/402628556.db2.gz DQYLMCXRDUYULX-HNNXBMFYSA-N 2 1 303.454 2.278 10 0 DEAEMP O=C1O[C@H](C[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC12CCC2 ZINC000192034362 402706668 /nfs/dbraw/zinc/70/66/68/402706668.db2.gz XMHGRHPHDHQXIV-GJZGRUSLSA-N 2 1 315.417 2.301 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000174387522 402739098 /nfs/dbraw/zinc/73/90/98/402739098.db2.gz MCXGQCXQFZQYGV-ZACQAIPSSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000194131292 402785127 /nfs/dbraw/zinc/78/51/27/402785127.db2.gz GZUJWMUNEXKORO-OAHLLOKOSA-N 2 1 310.486 2.034 10 0 DEAEMP CC(C)[NH2+]CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377315935 404836466 /nfs/dbraw/zinc/83/64/66/404836466.db2.gz KIUILZBKKDLAHM-RBUKOAKNSA-N 2 1 301.478 2.438 10 0 DEAEMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000638852138 405715074 /nfs/dbraw/zinc/71/50/74/405715074.db2.gz VDKUMFMEIHMWIZ-ZWKOTPCHSA-N 2 1 315.461 2.157 10 0 DEAEMP CCn1nncc1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391767 405883575 /nfs/dbraw/zinc/88/35/75/405883575.db2.gz DBGJAISTMRKHPB-NVXWUHKLSA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459391767 405883585 /nfs/dbraw/zinc/88/35/85/405883585.db2.gz DBGJAISTMRKHPB-NVXWUHKLSA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391767 405883591 /nfs/dbraw/zinc/88/35/91/405883591.db2.gz DBGJAISTMRKHPB-NVXWUHKLSA-N 2 1 313.449 2.298 10 0 DEAEMP O=C1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347664 405848045 /nfs/dbraw/zinc/84/80/45/405848045.db2.gz IPTLPQXRFPRNSO-ROUUACIJSA-N 2 1 321.509 2.491 10 0 DEAEMP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638074375 406556024 /nfs/dbraw/zinc/55/60/24/406556024.db2.gz MDCKXTXSQAHGOB-ROUUACIJSA-N 2 1 313.445 2.157 10 0 DEAEMP Cc1ccncc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000527223050 406598180 /nfs/dbraw/zinc/59/81/80/406598180.db2.gz LXYURPBXWAGZRJ-HXUWFJFHSA-N 2 1 324.472 2.468 10 0 DEAEMP c1ccc2nc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422704066 230169447 /nfs/dbraw/zinc/16/94/47/230169447.db2.gz OMEXSUNKYDCSRY-BHIYHBOVSA-N 2 1 311.429 2.482 10 0 DEAEMP CCCN(CCC)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875870 424849257 /nfs/dbraw/zinc/84/92/57/424849257.db2.gz BXCLCGDXQCHSOM-UHFFFAOYSA-N 2 1 320.481 2.323 10 0 DEAEMP [NH3+]C1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000390715389 424917652 /nfs/dbraw/zinc/91/76/52/424917652.db2.gz KKHHZHKKDVOIHB-WWDZGPRUSA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192833 269303653 /nfs/dbraw/zinc/30/36/53/269303653.db2.gz QNHKSXXYTYAHFG-DZUCGIPZSA-N 2 1 301.434 2.036 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919024 279263347 /nfs/dbraw/zinc/26/33/47/279263347.db2.gz UJNSPZGHJAQEFE-QGZVFWFLSA-N 2 1 307.482 2.195 10 0 DEAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000245457966 279325808 /nfs/dbraw/zinc/32/58/08/279325808.db2.gz CJWTXBPYLPPEQW-LSDHHAIUSA-N 2 1 322.453 2.008 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000245457966 279325810 /nfs/dbraw/zinc/32/58/10/279325810.db2.gz CJWTXBPYLPPEQW-LSDHHAIUSA-N 2 1 322.453 2.008 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000113599446 288301423 /nfs/dbraw/zinc/30/14/23/288301423.db2.gz BRTIDGKNTZSVPK-GDBMZVCRSA-N 2 1 322.497 2.127 10 0 DEAEMP CCCCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000157958252 520079064 /nfs/dbraw/zinc/07/90/64/520079064.db2.gz MKOHKXPUHADIPL-SFHVURJKSA-N 2 1 311.514 2.294 10 0 DEAEMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H](C)[NH3+] ZINC000248873765 521270584 /nfs/dbraw/zinc/27/05/84/521270584.db2.gz PQZYILIFCZXFOY-WMZOPIPTSA-N 2 1 317.477 2.484 10 0 DEAEMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000246492416 522077149 /nfs/dbraw/zinc/07/71/49/522077149.db2.gz PIEBMMUHPRDKGI-LALPHHSUSA-N 2 1 309.841 2.186 10 0 DEAEMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261803290 534858634 /nfs/dbraw/zinc/85/86/34/534858634.db2.gz OGZQBVOOOQPSER-MRXNPFEDSA-N 2 1 317.433 2.277 10 0 DEAEMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261803290 534858636 /nfs/dbraw/zinc/85/86/36/534858636.db2.gz OGZQBVOOOQPSER-MRXNPFEDSA-N 2 1 317.433 2.277 10 0 DEAEMP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875572 526027185 /nfs/dbraw/zinc/02/71/85/526027185.db2.gz GPRVCNBNQSCKTA-CQSZACIVSA-N 2 1 318.465 2.122 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCC[NH+]2CCCC(C)(C)C2)CC1 ZINC000447834586 528117550 /nfs/dbraw/zinc/11/75/50/528117550.db2.gz LNOLIKGGCGBFMB-UHFFFAOYSA-N 2 1 322.497 2.060 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000447834586 528117554 /nfs/dbraw/zinc/11/75/54/528117554.db2.gz LNOLIKGGCGBFMB-UHFFFAOYSA-N 2 1 322.497 2.060 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000447834586 528117558 /nfs/dbraw/zinc/11/75/58/528117558.db2.gz LNOLIKGGCGBFMB-UHFFFAOYSA-N 2 1 322.497 2.060 10 0 DEAEMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357910577 535241366 /nfs/dbraw/zinc/24/13/66/535241366.db2.gz VMWMUIHURDYUGH-INIZCTEOSA-N 2 1 310.486 2.058 10 0 DEAEMP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357910577 535241372 /nfs/dbraw/zinc/24/13/72/535241372.db2.gz VMWMUIHURDYUGH-INIZCTEOSA-N 2 1 310.486 2.058 10 0 DEAEMP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357910577 535241374 /nfs/dbraw/zinc/24/13/74/535241374.db2.gz VMWMUIHURDYUGH-INIZCTEOSA-N 2 1 310.486 2.058 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000249105784 536358760 /nfs/dbraw/zinc/35/87/60/536358760.db2.gz QHQVUJSGEBSKFQ-OALUTQOASA-N 2 1 323.525 2.030 10 0 DEAEMP COc1ccc(C)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262017666 536806830 /nfs/dbraw/zinc/80/68/30/536806830.db2.gz WFXFDAFYCJWCFG-RCCFBDPRSA-N 2 1 318.461 2.293 10 0 DEAEMP O[C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000328361849 625759999 /nfs/dbraw/zinc/75/99/99/625759999.db2.gz FMPXBMXRYPZQCI-WJFTUGDTSA-N 2 1 300.446 2.354 10 0 DEAEMP O[C@@H]1CCC[C@H]1[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000328361849 625760007 /nfs/dbraw/zinc/76/00/07/625760007.db2.gz FMPXBMXRYPZQCI-WJFTUGDTSA-N 2 1 300.446 2.354 10 0 DEAEMP O[C@@H]1CCC[C@H]1[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000328361849 625760013 /nfs/dbraw/zinc/76/00/13/625760013.db2.gz FMPXBMXRYPZQCI-WJFTUGDTSA-N 2 1 300.446 2.354 10 0 DEAEMP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000742196097 637340985 /nfs/dbraw/zinc/34/09/85/637340985.db2.gz LSQFFWUQJZCYCT-HNNXBMFYSA-N 2 1 301.434 2.059 10 0 DEAEMP CN1CCC[NH+]=C1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379702965 685392425 /nfs/dbraw/zinc/39/24/25/685392425.db2.gz AMMPVKZMQLPVIE-KRWDZBQOSA-N 2 1 300.450 2.322 10 0 DEAEMP C[N@@H+](CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261837556 685199900 /nfs/dbraw/zinc/19/99/00/685199900.db2.gz CFLDNFJMMMSQFW-PBWFPOADSA-N 2 1 305.397 2.369 10 0 DEAEMP Cc1cc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000397915451 790230929 /nfs/dbraw/zinc/23/09/29/790230929.db2.gz GMYHMLXELQMUBR-SFHVURJKSA-N 2 1 311.433 2.086 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702051088 1086401461 /nfs/dbraw/zinc/40/14/61/1086401461.db2.gz LXWQDILRVMJPSD-VDZJLULYSA-N 2 1 315.461 2.094 10 0 DEAEMP COC(=O)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702065716 1086401986 /nfs/dbraw/zinc/40/19/86/1086401986.db2.gz NHNAZZWXKUBSIX-MJGOQNOKSA-N 2 1 316.445 2.394 10 0 DEAEMP COC(=O)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702065716 1086401992 /nfs/dbraw/zinc/40/19/92/1086401992.db2.gz NHNAZZWXKUBSIX-MJGOQNOKSA-N 2 1 316.445 2.394 10 0 DEAEMP COC(=O)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702065716 1086401997 /nfs/dbraw/zinc/40/19/97/1086401997.db2.gz NHNAZZWXKUBSIX-MJGOQNOKSA-N 2 1 316.445 2.394 10 0 DEAEMP COC(=O)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702065716 1086402001 /nfs/dbraw/zinc/40/20/01/1086402001.db2.gz NHNAZZWXKUBSIX-MJGOQNOKSA-N 2 1 316.445 2.394 10 0 DEAEMP CC(C)c1nsc(N2CCC[N@@H+](CCCCC[NH3+])CC2)n1 ZINC000087639616 185229796 /nfs/dbraw/zinc/22/97/96/185229796.db2.gz VRSJIIBVVNWENX-UHFFFAOYSA-N 2 1 311.499 2.303 10 0 DEAEMP CN(C[C@H]1CCC[N@H+]1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000092624909 185329724 /nfs/dbraw/zinc/32/97/24/185329724.db2.gz SPMXNYNCORDEPG-MNOVXSKESA-N 2 1 316.243 2.068 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@@H](C)C1 ZINC000245416101 282386021 /nfs/dbraw/zinc/38/60/21/282386021.db2.gz DXKSLLPEGUZQFI-YOEHRIQHSA-N 2 1 321.440 2.104 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362905295 535076068 /nfs/dbraw/zinc/07/60/68/535076068.db2.gz RKFQJMVJFRSKSY-KRWDZBQOSA-N 2 1 309.498 2.203 10 0 DEAEMP CC(C)[NH2+]C[C@H]1COCCN1c1cc[nH+]cc1Br ZINC000164157775 186150463 /nfs/dbraw/zinc/15/04/63/186150463.db2.gz JXSUNMJVOPTONU-NSHDSACASA-N 2 1 314.227 2.047 10 0 DEAEMP COc1cccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173529623 198224200 /nfs/dbraw/zinc/22/42/00/198224200.db2.gz ZZVFUKCJRVMKMW-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173529623 198224203 /nfs/dbraw/zinc/22/42/03/198224203.db2.gz ZZVFUKCJRVMKMW-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173529623 198224205 /nfs/dbraw/zinc/22/42/05/198224205.db2.gz ZZVFUKCJRVMKMW-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000173529623 198224207 /nfs/dbraw/zinc/22/42/07/198224207.db2.gz ZZVFUKCJRVMKMW-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000057792719 354580067 /nfs/dbraw/zinc/58/00/67/354580067.db2.gz INJHNAFOHUWBSH-INIZCTEOSA-N 2 1 310.486 2.082 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000181704560 356091675 /nfs/dbraw/zinc/09/16/75/356091675.db2.gz MTRUNKOIIBPDCE-MCIONIFRSA-N 2 1 308.388 2.496 10 0 DEAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263283824 356344601 /nfs/dbraw/zinc/34/46/01/356344601.db2.gz SZHZDJJEMNNOQC-ZKZVPCBQSA-N 2 1 321.509 2.390 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000175779924 283167266 /nfs/dbraw/zinc/16/72/66/283167266.db2.gz YNSJCOWSPKKGOV-QGZVFWFLSA-N 2 1 324.513 2.378 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180589381 199180567 /nfs/dbraw/zinc/18/05/67/199180567.db2.gz WKOHCONEJQIXMF-CJNGLKHVSA-N 2 1 322.416 2.438 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093189 240037784 /nfs/dbraw/zinc/03/77/84/240037784.db2.gz WKZQHXKMYYCTHI-GJZGRUSLSA-N 2 1 324.490 2.125 10 0 DEAEMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092275822 193184088 /nfs/dbraw/zinc/18/40/88/193184088.db2.gz VGWPICGKXPPWPY-RRFJBIMHSA-N 2 1 304.459 2.329 10 0 DEAEMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092275822 193184090 /nfs/dbraw/zinc/18/40/90/193184090.db2.gz VGWPICGKXPPWPY-RRFJBIMHSA-N 2 1 304.459 2.329 10 0 DEAEMP C[C@H](C[C@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000093486725 193258942 /nfs/dbraw/zinc/25/89/42/193258942.db2.gz GSWZTTCSWHZHSP-UKRRQHHQSA-N 2 1 310.463 2.100 10 0 DEAEMP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](CCOC)CC(C)C ZINC000093617317 193275711 /nfs/dbraw/zinc/27/57/11/193275711.db2.gz SWIZLCKRIKPPOR-IAGOWNOFSA-N 2 1 300.487 2.122 10 0 DEAEMP C[C@@H]1SCCC[C@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000094479198 193372903 /nfs/dbraw/zinc/37/29/03/193372903.db2.gz KDWATKSQKWYTSM-DOTOQJQBSA-N 2 1 311.539 2.407 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458454331 248315868 /nfs/dbraw/zinc/31/58/68/248315868.db2.gz JZHULWAAQAVCJB-QGZVFWFLSA-N 2 1 324.513 2.233 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105148451 194078999 /nfs/dbraw/zinc/07/89/99/194078999.db2.gz HJIZELSLEVDGPK-OAHLLOKOSA-N 2 1 312.502 2.136 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000285233518 218343686 /nfs/dbraw/zinc/34/36/86/218343686.db2.gz KSPNGPIEUXMNCM-INIZCTEOSA-N 2 1 309.373 2.144 10 0 DEAEMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262405894 296313483 /nfs/dbraw/zinc/31/34/83/296313483.db2.gz RQYGIBSHTVORRV-MLHJIOFPSA-N 2 1 321.509 2.488 10 0 DEAEMP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000063746247 184287179 /nfs/dbraw/zinc/28/71/79/184287179.db2.gz IJHXYXASRYAEOH-UHFFFAOYSA-N 2 1 305.466 2.485 10 0 DEAEMP C[C@@H]1C[C@@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@H+]1C ZINC000158928099 197312073 /nfs/dbraw/zinc/31/20/73/197312073.db2.gz IOBNPRMNIZEBBW-ZJUUUORDSA-N 2 1 302.344 2.203 10 0 DEAEMP NC1=[NH+]C[C@]2(CC[N@H+]3CCC[C@@H]3C2)N1c1ccc(Cl)cc1 ZINC000157255139 197174141 /nfs/dbraw/zinc/17/41/41/197174141.db2.gz FQQPMHBWFOETEL-GDBMZVCRSA-N 2 1 304.825 2.472 10 0 DEAEMP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000247961520 257112815 /nfs/dbraw/zinc/11/28/15/257112815.db2.gz FJCKEDGBPJKYGA-RCCFBDPRSA-N 2 1 322.424 2.136 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358200419 133127911 /nfs/dbraw/zinc/12/79/11/133127911.db2.gz ZZTDBNFUERSRMD-DLBZAZTESA-N 2 1 322.497 2.201 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358200419 133127912 /nfs/dbraw/zinc/12/79/12/133127912.db2.gz ZZTDBNFUERSRMD-DLBZAZTESA-N 2 1 322.497 2.201 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131365 /nfs/dbraw/zinc/13/13/65/133131365.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H](NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131366 /nfs/dbraw/zinc/13/13/66/133131366.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H](NCC[NH+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131367 /nfs/dbraw/zinc/13/13/67/133131367.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131368 /nfs/dbraw/zinc/13/13/68/133131368.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 2 1 323.525 2.365 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NCC[N@@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131369 /nfs/dbraw/zinc/13/13/69/133131369.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 2 1 323.525 2.365 10 0 DEAEMP C[C@H](CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCCCC1 ZINC000182681353 144920308 /nfs/dbraw/zinc/92/03/08/144920308.db2.gz RDXCYYCSBKBFBL-IXDOHACOSA-N 2 1 322.497 2.129 10 0 DEAEMP O=C1C[C@@H](c2ccccc2)[N@H+](CCC[NH+]2CCCC2)CCN1 ZINC000193476053 145086417 /nfs/dbraw/zinc/08/64/17/145086417.db2.gz LRHYWYSWDVSART-KRWDZBQOSA-N 2 1 301.434 2.036 10 0 DEAEMP O=C1C[C@@H](c2ccccc2)[N@@H+](CCC[NH+]2CCCC2)CCN1 ZINC000193476053 145086420 /nfs/dbraw/zinc/08/64/20/145086420.db2.gz LRHYWYSWDVSART-KRWDZBQOSA-N 2 1 301.434 2.036 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246683622 145110941 /nfs/dbraw/zinc/11/09/41/145110941.db2.gz JYFPMZPCCGXBHU-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246683622 145110942 /nfs/dbraw/zinc/11/09/42/145110942.db2.gz JYFPMZPCCGXBHU-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246683622 145110945 /nfs/dbraw/zinc/11/09/45/145110945.db2.gz JYFPMZPCCGXBHU-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC000246914611 145119185 /nfs/dbraw/zinc/11/91/85/145119185.db2.gz GFDAEFRMWICRJD-WBVHZDCISA-N 2 1 318.465 2.303 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC000246914611 145119187 /nfs/dbraw/zinc/11/91/87/145119187.db2.gz GFDAEFRMWICRJD-WBVHZDCISA-N 2 1 318.465 2.303 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nc1 ZINC000247954904 145145722 /nfs/dbraw/zinc/14/57/22/145145722.db2.gz FKNGOKXCQXWAFS-DOTOQJQBSA-N 2 1 302.466 2.431 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nc1 ZINC000247954904 145145723 /nfs/dbraw/zinc/14/57/23/145145723.db2.gz FKNGOKXCQXWAFS-DOTOQJQBSA-N 2 1 302.466 2.431 10 0 DEAEMP C[C@H](CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248489744 145156712 /nfs/dbraw/zinc/15/67/12/145156712.db2.gz NDQOWBKCVSXMAH-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)N ZINC000261758912 145223313 /nfs/dbraw/zinc/22/33/13/145223313.db2.gz CVYFVHHJAUGKAE-GOSISDBHSA-N 2 1 319.493 2.101 10 0 DEAEMP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)[NH3+] ZINC000261758912 145223314 /nfs/dbraw/zinc/22/33/14/145223314.db2.gz CVYFVHHJAUGKAE-GOSISDBHSA-N 2 1 319.493 2.101 10 0 DEAEMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261910129 145239967 /nfs/dbraw/zinc/23/99/67/145239967.db2.gz XWNOWXSTHPRGTM-SFHVURJKSA-N 2 1 303.450 2.210 10 0 DEAEMP CCC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261931327 145243235 /nfs/dbraw/zinc/24/32/35/145243235.db2.gz WGIYRESEYYWZBJ-CVEARBPZSA-N 2 1 309.498 2.393 10 0 DEAEMP CCC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261931332 145243450 /nfs/dbraw/zinc/24/34/50/145243450.db2.gz WGIYRESEYYWZBJ-JKSUJKDBSA-N 2 1 309.498 2.393 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C12CCC2 ZINC000261958372 145247388 /nfs/dbraw/zinc/24/73/88/145247388.db2.gz PFIWJUZMMVREIE-OVYGPGRDSA-N 2 1 308.466 2.081 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262335515 145277217 /nfs/dbraw/zinc/27/72/17/145277217.db2.gz SEDPEQXZCUQFGN-BKYIEACKSA-N 2 1 307.482 2.131 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000370763362 148053410 /nfs/dbraw/zinc/05/34/10/148053410.db2.gz JPUHYTYEZTXYNY-IRXDYDNUSA-N 2 1 303.450 2.142 10 0 DEAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000112697834 401754844 /nfs/dbraw/zinc/75/48/44/401754844.db2.gz WPHJUIWPDKJROY-KRWDZBQOSA-N 2 1 311.514 2.149 10 0 DEAEMP CC(C)[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000075313706 401757805 /nfs/dbraw/zinc/75/78/05/401757805.db2.gz UNLXPJUUKNADFI-ALOPSCKCSA-N 2 1 324.513 2.420 10 0 DEAEMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115694434 401835285 /nfs/dbraw/zinc/83/52/85/401835285.db2.gz XAXLAGVGOLAECD-UHFFFAOYSA-N 2 1 324.444 2.027 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963858 401912589 /nfs/dbraw/zinc/91/25/89/401912589.db2.gz KVDXTYGRDXRPQL-MOPGFXCFSA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963858 401912592 /nfs/dbraw/zinc/91/25/92/401912592.db2.gz KVDXTYGRDXRPQL-MOPGFXCFSA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963858 401912595 /nfs/dbraw/zinc/91/25/95/401912595.db2.gz KVDXTYGRDXRPQL-MOPGFXCFSA-N 2 1 320.477 2.228 10 0 DEAEMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000118981692 401917367 /nfs/dbraw/zinc/91/73/67/401917367.db2.gz WTBLDRYKKWFOOD-SFHVURJKSA-N 2 1 306.450 2.027 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)[C@H](C)C1 ZINC000089640697 401955325 /nfs/dbraw/zinc/95/53/25/401955325.db2.gz CJLKGSWBWAUASG-ZIAGYGMSSA-N 2 1 309.479 2.188 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101668935 402153853 /nfs/dbraw/zinc/15/38/53/402153853.db2.gz NDCDGKJYQJMSDR-XHSDSOJGSA-N 2 1 309.498 2.486 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC000178306230 402482409 /nfs/dbraw/zinc/48/24/09/402482409.db2.gz XYJIPBSOIOZWOT-QGZVFWFLSA-N 2 1 312.417 2.319 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC000178306230 402482413 /nfs/dbraw/zinc/48/24/13/402482413.db2.gz XYJIPBSOIOZWOT-QGZVFWFLSA-N 2 1 312.417 2.319 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306533 402482825 /nfs/dbraw/zinc/48/28/25/402482825.db2.gz QXSBISPIFKXHFK-BBRMVZONSA-N 2 1 304.438 2.103 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306533 402482827 /nfs/dbraw/zinc/48/28/27/402482827.db2.gz QXSBISPIFKXHFK-BBRMVZONSA-N 2 1 304.438 2.103 10 0 DEAEMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247182110 402559541 /nfs/dbraw/zinc/55/95/41/402559541.db2.gz LAJPAXHLENBZJJ-DLBZAZTESA-N 2 1 320.477 2.433 10 0 DEAEMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247182110 402559543 /nfs/dbraw/zinc/55/95/43/402559543.db2.gz LAJPAXHLENBZJJ-DLBZAZTESA-N 2 1 320.477 2.433 10 0 DEAEMP [NH3+]C1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000178726794 402531663 /nfs/dbraw/zinc/53/16/63/402531663.db2.gz QCMCLYIAADAKQN-QGZVFWFLSA-N 2 1 315.461 2.429 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2cccs2)[C@@H](C)C1 ZINC000246467734 402532864 /nfs/dbraw/zinc/53/28/64/402532864.db2.gz GOCOIBJTNDPKER-GOEBONIOSA-N 2 1 323.506 2.369 10 0 DEAEMP CC(C)(C)CCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385871 402583283 /nfs/dbraw/zinc/58/32/83/402583283.db2.gz GKDVWUOGCNIXMK-UHFFFAOYSA-N 2 1 309.498 2.347 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000249767640 402641306 /nfs/dbraw/zinc/64/13/06/402641306.db2.gz QJAIYFFWRNMCSF-IAGOWNOFSA-N 2 1 324.513 2.280 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000261547388 402713620 /nfs/dbraw/zinc/71/36/20/402713620.db2.gz MHHPMNQIHMHTGD-QGZVFWFLSA-N 2 1 303.450 2.238 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000261547388 402713623 /nfs/dbraw/zinc/71/36/23/402713623.db2.gz MHHPMNQIHMHTGD-QGZVFWFLSA-N 2 1 303.450 2.238 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182759718 402714727 /nfs/dbraw/zinc/71/47/27/402714727.db2.gz RQXSSAYCWARGQP-HKUYNNGSSA-N 2 1 311.429 2.333 10 0 DEAEMP Cn1ccnc1C[N@@H+](C[C@H]1CCSC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261948722 402720253 /nfs/dbraw/zinc/72/02/53/402720253.db2.gz NQLXXYDOIZOAFD-HUUCEWRRSA-N 2 1 320.506 2.117 10 0 DEAEMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000261988336 402720764 /nfs/dbraw/zinc/72/07/64/402720764.db2.gz SRJKOSIKODOBEE-IKGGRYGDSA-N 2 1 301.434 2.019 10 0 DEAEMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000261988336 402720766 /nfs/dbraw/zinc/72/07/66/402720766.db2.gz SRJKOSIKODOBEE-IKGGRYGDSA-N 2 1 301.434 2.019 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C ZINC000174303048 402735643 /nfs/dbraw/zinc/73/56/43/402735643.db2.gz BMUWAMUZFCESFJ-OAHLLOKOSA-N 2 1 312.502 2.090 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000174786936 402757302 /nfs/dbraw/zinc/75/73/02/402757302.db2.gz CDXOXRQFEGQZTP-UHFFFAOYSA-N 2 1 305.422 2.050 10 0 DEAEMP C[N@@H+](Cc1ccccc1CNC(=O)C1C[NH2+]C1)C1CCCCC1 ZINC000263326396 402758884 /nfs/dbraw/zinc/75/88/84/402758884.db2.gz SUJMUTDAQOHYRE-UHFFFAOYSA-N 2 1 315.461 2.287 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000175106252 402779673 /nfs/dbraw/zinc/77/96/73/402779673.db2.gz PBHJAFANJMCARD-WMLDXEAASA-N 2 1 303.450 2.303 10 0 DEAEMP Cn1c2ccc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc2sc1=O ZINC000194990561 402825759 /nfs/dbraw/zinc/82/57/59/402825759.db2.gz ROFXRGNRRQZOGH-AWEZNQCLSA-N 2 1 319.474 2.374 10 0 DEAEMP Cn1c2ccc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc2sc1=O ZINC000194990561 402825760 /nfs/dbraw/zinc/82/57/60/402825760.db2.gz ROFXRGNRRQZOGH-AWEZNQCLSA-N 2 1 319.474 2.374 10 0 DEAEMP Cn1c2ccc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc2sc1=O ZINC000194990561 402825761 /nfs/dbraw/zinc/82/57/61/402825761.db2.gz ROFXRGNRRQZOGH-AWEZNQCLSA-N 2 1 319.474 2.374 10 0 DEAEMP Cn1c2ccc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc2sc1=O ZINC000194990561 402825762 /nfs/dbraw/zinc/82/57/62/402825762.db2.gz ROFXRGNRRQZOGH-AWEZNQCLSA-N 2 1 319.474 2.374 10 0 DEAEMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333549400 403778220 /nfs/dbraw/zinc/77/82/20/403778220.db2.gz KBUFDSMGEUKCSS-DOTOQJQBSA-N 2 1 322.497 2.225 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369879605 404260793 /nfs/dbraw/zinc/26/07/93/404260793.db2.gz BOMZDVZBMJAJQS-DLBZAZTESA-N 2 1 322.497 2.034 10 0 DEAEMP c1cncc(C[NH2+]CCC[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000414879073 404755336 /nfs/dbraw/zinc/75/53/36/404755336.db2.gz ONOREMCVEROHAA-UHFFFAOYSA-N 2 1 313.401 2.122 10 0 DEAEMP C[C@@H](CCNC(=O)C[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000379680530 405030059 /nfs/dbraw/zinc/03/00/59/405030059.db2.gz MRSCDZNCJAUBPC-FUHWJXTLSA-N 2 1 317.477 2.403 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396316689 405056491 /nfs/dbraw/zinc/05/64/91/405056491.db2.gz DTZPQTQHCRXYJA-NJAFHUGGSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396316689 405056497 /nfs/dbraw/zinc/05/64/97/405056497.db2.gz DTZPQTQHCRXYJA-NJAFHUGGSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000396337306 405057090 /nfs/dbraw/zinc/05/70/90/405057090.db2.gz VTQSLKMOUNSNCR-AEFFLSMTSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396337306 405057094 /nfs/dbraw/zinc/05/70/94/405057094.db2.gz VTQSLKMOUNSNCR-AEFFLSMTSA-N 2 1 315.461 2.109 10 0 DEAEMP C/C=C/CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638683008 405616228 /nfs/dbraw/zinc/61/62/28/405616228.db2.gz COESCXGDLNHAPG-NSCUHMNNSA-N 2 1 301.434 2.062 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423184438 405713553 /nfs/dbraw/zinc/71/35/53/405713553.db2.gz IBUDWGCMUHWMKK-IPMKNSEASA-N 2 1 316.493 2.462 10 0 DEAEMP c1cn(-c2ccc(C[N@H+]3CC[C@H](Nc4ncccn4)C3)cc2)cn1 ZINC000567905305 406158437 /nfs/dbraw/zinc/15/84/37/406158437.db2.gz QZATVZQEEGBSLA-INIZCTEOSA-N 2 1 320.400 2.349 10 0 DEAEMP c1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc(N2CCCCC2)[nH+]1 ZINC000634812713 406296268 /nfs/dbraw/zinc/29/62/68/406296268.db2.gz PNTKXLINXVFNOL-CABCVRRESA-N 2 1 301.438 2.045 10 0 DEAEMP C[C@@H]1CCCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637986935 406509957 /nfs/dbraw/zinc/50/99/57/406509957.db2.gz MTKNDCXGKDBVKY-MRXNPFEDSA-N 2 1 315.461 2.381 10 0 DEAEMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306474 406687631 /nfs/dbraw/zinc/68/76/31/406687631.db2.gz CZBROMHKSHCRPU-QAPCUYQASA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638307215 406688021 /nfs/dbraw/zinc/68/80/21/406688021.db2.gz HVEGRDCMZWOGJT-WBAXXEDZSA-N 2 1 313.445 2.061 10 0 DEAEMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000554581576 406815022 /nfs/dbraw/zinc/81/50/22/406815022.db2.gz RQNWKSMKMCMYRH-NRSFXHEJSA-N 2 1 315.461 2.248 10 0 DEAEMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000554581576 406815023 /nfs/dbraw/zinc/81/50/23/406815023.db2.gz RQNWKSMKMCMYRH-NRSFXHEJSA-N 2 1 315.461 2.248 10 0 DEAEMP c1ccc(-c2noc(CC[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000577513776 406840854 /nfs/dbraw/zinc/84/08/54/406840854.db2.gz XTRYGZSAKZMFJQ-SFHVURJKSA-N 2 1 312.417 2.355 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000105875662 424849682 /nfs/dbraw/zinc/84/96/82/424849682.db2.gz GJSGHFAWDIPTFX-UHFFFAOYSA-N 2 1 318.465 2.077 10 0 DEAEMP C[NH+](C)C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000194732873 424878084 /nfs/dbraw/zinc/87/80/84/424878084.db2.gz YEFLODFZGSHTQL-UHFFFAOYSA-N 2 1 306.406 2.210 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)CC(C)C ZINC000195125326 424880463 /nfs/dbraw/zinc/88/04/63/424880463.db2.gz IEPHGTSYGUVWQW-JKSUJKDBSA-N 2 1 312.502 2.136 10 0 DEAEMP C[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000381042466 424908611 /nfs/dbraw/zinc/90/86/11/424908611.db2.gz DZIOFGZBLOIJDI-MJGOQNOKSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398039247 424922510 /nfs/dbraw/zinc/92/25/10/424922510.db2.gz KIKGCULHPNHHDW-CGTJXYLNSA-N 2 1 317.477 2.387 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425660 424932674 /nfs/dbraw/zinc/93/26/74/424932674.db2.gz KDEWXNXHZAZUDN-QZTJIDSGSA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000246185257 525384077 /nfs/dbraw/zinc/38/40/77/525384077.db2.gz COVYNIOAOOYWFK-WKULXVSPSA-N 2 1 321.509 2.391 10 0 DEAEMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249885021 535116239 /nfs/dbraw/zinc/11/62/39/535116239.db2.gz OTRKVVRORDNKHV-GJZGRUSLSA-N 2 1 304.438 2.039 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000358108320 535449894 /nfs/dbraw/zinc/44/98/94/535449894.db2.gz VRQQEYGSMWDWFN-OAHLLOKOSA-N 2 1 322.497 2.058 10 0 DEAEMP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550900 535976489 /nfs/dbraw/zinc/97/64/89/535976489.db2.gz PXDNIBWVWWABJR-WMZOPIPTSA-N 2 1 315.461 2.109 10 0 DEAEMP COC(=O)c1cc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc2o1 ZINC000193607826 536591587 /nfs/dbraw/zinc/59/15/87/536591587.db2.gz UGBSPCVVGKUZJO-GASCZTMLSA-N 2 1 314.385 2.213 10 0 DEAEMP COC(=O)c1cc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc2o1 ZINC000193607826 536591598 /nfs/dbraw/zinc/59/15/98/536591598.db2.gz UGBSPCVVGKUZJO-GASCZTMLSA-N 2 1 314.385 2.213 10 0 DEAEMP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)ccc2o1 ZINC000193607826 536591602 /nfs/dbraw/zinc/59/16/02/536591602.db2.gz UGBSPCVVGKUZJO-GASCZTMLSA-N 2 1 314.385 2.213 10 0 DEAEMP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc2o1 ZINC000193607826 536591606 /nfs/dbraw/zinc/59/16/06/536591606.db2.gz UGBSPCVVGKUZJO-GASCZTMLSA-N 2 1 314.385 2.213 10 0 DEAEMP Cc1nc(N)nc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309743495 625547205 /nfs/dbraw/zinc/54/72/05/625547205.db2.gz SRPISSRFRLVZLF-QGZVFWFLSA-N 2 1 312.421 2.086 10 0 DEAEMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000229081489 646666078 /nfs/dbraw/zinc/66/60/78/646666078.db2.gz MYTOSQWBMFBSLM-UKRRQHHQSA-N 2 1 311.470 2.364 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000126136238 791194703 /nfs/dbraw/zinc/19/47/03/791194703.db2.gz JEHXFLQXPSYDSG-IRXDYDNUSA-N 2 1 303.450 2.142 10 0 DEAEMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000712606845 792191972 /nfs/dbraw/zinc/19/19/72/792191972.db2.gz FRZOTJCFOSNXAT-GOSISDBHSA-N 2 1 318.461 2.423 10 0 DEAEMP CN(C(=O)CC[NH2+]CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000717153326 799256529 /nfs/dbraw/zinc/25/65/29/799256529.db2.gz YEISCLFJVOUVOG-GOSISDBHSA-N 2 1 315.461 2.109 10 0 DEAEMP O[C@H](CNCc1cccs1)C[N@H+]1CCc2ccccc2C1 ZINC000075777466 1080253271 /nfs/dbraw/zinc/25/32/71/1080253271.db2.gz CORGGULURQUENN-MRXNPFEDSA-N 2 1 302.443 2.257 10 0 DEAEMP COC(CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000705662608 1086621998 /nfs/dbraw/zinc/62/19/98/1086621998.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 1 318.461 2.449 10 0 DEAEMP COC(C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662608 1086622002 /nfs/dbraw/zinc/62/20/02/1086622002.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 1 318.461 2.449 10 0 DEAEMP COC(C[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1)OC ZINC000705662608 1086622005 /nfs/dbraw/zinc/62/20/05/1086622005.db2.gz LSFDWQATQWEMIA-KDURUIRLSA-N 2 1 318.461 2.449 10 0 DEAEMP CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000710960342 1086692260 /nfs/dbraw/zinc/69/22/60/1086692260.db2.gz ZSOHSBBKLISRQT-BZSNNMDCSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000711224121 1087023169 /nfs/dbraw/zinc/02/31/69/1087023169.db2.gz LFANVUKHMWTFKL-RDJZCZTQSA-N 2 1 317.477 2.259 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000711344647 1087070587 /nfs/dbraw/zinc/07/05/87/1087070587.db2.gz JLASIKYYWMVSDW-PVAVHDDUSA-N 2 1 315.461 2.011 10 0 DEAEMP C[NH2+]CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719657720 1092378053 /nfs/dbraw/zinc/37/80/53/1092378053.db2.gz BGEMLZKTVIJEIZ-QGZVFWFLSA-N 2 1 303.450 2.014 10 0 DEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434915 185250137 /nfs/dbraw/zinc/25/01/37/185250137.db2.gz JIIHAYCQGZXEDK-CYBMUJFWSA-N 2 1 311.392 2.285 10 0 DEAEMP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)OC1CCOCC1 ZINC000625268373 365707186 /nfs/dbraw/zinc/70/71/86/365707186.db2.gz YFWLSARNKLHUIK-QAPCUYQASA-N 2 1 308.466 2.131 10 0 DEAEMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268373 365707193 /nfs/dbraw/zinc/70/71/93/365707193.db2.gz YFWLSARNKLHUIK-QAPCUYQASA-N 2 1 308.466 2.131 10 0 DEAEMP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268373 365707201 /nfs/dbraw/zinc/70/72/01/365707201.db2.gz YFWLSARNKLHUIK-QAPCUYQASA-N 2 1 308.466 2.131 10 0 DEAEMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1C ZINC000189503995 282312098 /nfs/dbraw/zinc/31/20/98/282312098.db2.gz OOEKVSTZIXJJIW-WDEREUQCSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1C ZINC000189503995 282312100 /nfs/dbraw/zinc/31/21/00/282312100.db2.gz OOEKVSTZIXJJIW-WDEREUQCSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189503995 282312101 /nfs/dbraw/zinc/31/21/01/282312101.db2.gz OOEKVSTZIXJJIW-WDEREUQCSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189503995 282312103 /nfs/dbraw/zinc/31/21/03/282312103.db2.gz OOEKVSTZIXJJIW-WDEREUQCSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195128694 282369253 /nfs/dbraw/zinc/36/92/53/282369253.db2.gz SVVHUMOWWAKMEJ-BBWFWOEESA-N 2 1 324.513 2.138 10 0 DEAEMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000195128694 282369254 /nfs/dbraw/zinc/36/92/54/282369254.db2.gz SVVHUMOWWAKMEJ-BBWFWOEESA-N 2 1 324.513 2.138 10 0 DEAEMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000195128694 282369261 /nfs/dbraw/zinc/36/92/61/282369261.db2.gz SVVHUMOWWAKMEJ-BBWFWOEESA-N 2 1 324.513 2.138 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccco3)o2)[C@@H](C)C1 ZINC000245423854 282387157 /nfs/dbraw/zinc/38/71/57/282387157.db2.gz JSGKYQRHYGATQI-QWHCGFSZSA-N 2 1 304.394 2.492 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000245434115 282388434 /nfs/dbraw/zinc/38/84/34/282388434.db2.gz PPMOHVWKRWYWGU-SJORKVTESA-N 2 1 307.482 2.192 10 0 DEAEMP C[NH2+][C@@H](C[C@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149595274 186052127 /nfs/dbraw/zinc/05/21/27/186052127.db2.gz YFIUIWAFSIIQHH-ZFWWWQNUSA-N 2 1 311.857 2.245 10 0 DEAEMP Cn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000273045041 539801370 /nfs/dbraw/zinc/80/13/70/539801370.db2.gz JGSDACYNEDOADO-NZSAHSFTSA-N 2 1 310.445 2.420 10 0 DEAEMP C[C@@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379644059 540122039 /nfs/dbraw/zinc/12/20/39/540122039.db2.gz BYFSVDKURZHYPM-YJBOKZPZSA-N 2 1 303.450 2.155 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382712638 540124153 /nfs/dbraw/zinc/12/41/53/540124153.db2.gz WKYCSJGGABMNQV-PKOBYXMFSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC1([NH3+])CC1 ZINC000404366941 540144768 /nfs/dbraw/zinc/14/47/68/540144768.db2.gz PRWNVOLUPMYGRH-ARFHVFGLSA-N 2 1 315.461 2.378 10 0 DEAEMP CC/C=C\CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000588475927 540258256 /nfs/dbraw/zinc/25/82/56/540258256.db2.gz DKKXSNZCFMFZBB-XFHJGTJQSA-N 2 1 309.498 2.070 10 0 DEAEMP c1cn(-c2csc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)c2)cn1 ZINC000579829919 357038095 /nfs/dbraw/zinc/03/80/95/357038095.db2.gz XXGMRRAATHZXMP-CYBMUJFWSA-N 2 1 314.418 2.362 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000180148504 199123271 /nfs/dbraw/zinc/12/32/71/199123271.db2.gz CYDGGGTXMQTSBC-KZNAEPCWSA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180148504 199123272 /nfs/dbraw/zinc/12/32/72/199123272.db2.gz CYDGGGTXMQTSBC-KZNAEPCWSA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180148504 199123273 /nfs/dbraw/zinc/12/32/73/199123273.db2.gz CYDGGGTXMQTSBC-KZNAEPCWSA-N 2 1 315.461 2.422 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180589342 199180621 /nfs/dbraw/zinc/18/06/21/199180621.db2.gz WKOHCONEJQIXMF-CZUORRHYSA-N 2 1 322.416 2.438 10 0 DEAEMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000607671308 361103781 /nfs/dbraw/zinc/10/37/81/361103781.db2.gz DDUZNMSMGSXPRH-IJEWVQPXSA-N 2 1 321.490 2.199 10 0 DEAEMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000607671308 361103784 /nfs/dbraw/zinc/10/37/84/361103784.db2.gz DDUZNMSMGSXPRH-IJEWVQPXSA-N 2 1 321.490 2.199 10 0 DEAEMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000607671308 361103787 /nfs/dbraw/zinc/10/37/87/361103787.db2.gz DDUZNMSMGSXPRH-IJEWVQPXSA-N 2 1 321.490 2.199 10 0 DEAEMP CC(C)(C)OC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000610952848 361498661 /nfs/dbraw/zinc/49/86/61/361498661.db2.gz OBTBIIULWMVTOY-HOTGVXAUSA-N 2 1 302.418 2.293 10 0 DEAEMP CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721651 193096756 /nfs/dbraw/zinc/09/67/56/193096756.db2.gz IAXCGGRTGUQNSN-FVQBIDKESA-N 2 1 309.841 2.119 10 0 DEAEMP CC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721651 193096757 /nfs/dbraw/zinc/09/67/57/193096757.db2.gz IAXCGGRTGUQNSN-FVQBIDKESA-N 2 1 309.841 2.119 10 0 DEAEMP C[N@H+](CCOCC[NH3+])Cc1ccc(Br)c(F)c1F ZINC000629580734 367260009 /nfs/dbraw/zinc/26/00/09/367260009.db2.gz GAJLAVASMDWAPC-UHFFFAOYSA-N 2 1 323.181 2.134 10 0 DEAEMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Br)c(F)c1F ZINC000629580734 367260015 /nfs/dbraw/zinc/26/00/15/367260015.db2.gz GAJLAVASMDWAPC-UHFFFAOYSA-N 2 1 323.181 2.134 10 0 DEAEMP c1cc(N2CC([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000631257440 368107665 /nfs/dbraw/zinc/10/76/65/368107665.db2.gz WTJCBSWCIQCKBW-UHFFFAOYSA-N 2 1 315.465 2.052 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC000105897334 194162547 /nfs/dbraw/zinc/16/25/47/194162547.db2.gz HCIABRFJAJXSDY-GJZGRUSLSA-N 2 1 306.454 2.339 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC000105897334 194162549 /nfs/dbraw/zinc/16/25/49/194162549.db2.gz HCIABRFJAJXSDY-GJZGRUSLSA-N 2 1 306.454 2.339 10 0 DEAEMP CCOCC[N@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000111121843 194392236 /nfs/dbraw/zinc/39/22/36/194392236.db2.gz XMHYWRYFHGASTF-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCOCC[N@@H+](CC)CCCC[C@](C)([NH2+]C)C(=O)OCC ZINC000111121843 194392237 /nfs/dbraw/zinc/39/22/37/194392237.db2.gz XMHYWRYFHGASTF-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP C[N@H+](CCn1c(N)[nH+]c2cc(Br)ccc21)C1CC1 ZINC000062010464 184201237 /nfs/dbraw/zinc/20/12/37/184201237.db2.gz HMWNHACJJTVNNN-UHFFFAOYSA-N 2 1 309.211 2.475 10 0 DEAEMP C[N@@H+](CCn1c(N)[nH+]c2cc(Br)ccc21)C1CC1 ZINC000062010464 184201238 /nfs/dbraw/zinc/20/12/38/184201238.db2.gz HMWNHACJJTVNNN-UHFFFAOYSA-N 2 1 309.211 2.475 10 0 DEAEMP C[N@H+](Cc1cc(C(N)=S)ccc1F)CC1CC[NH+](C)CC1 ZINC000063120821 184271638 /nfs/dbraw/zinc/27/16/38/184271638.db2.gz YMIUVAZLEJJDJW-UHFFFAOYSA-N 2 1 309.454 2.234 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539417187 285076883 /nfs/dbraw/zinc/07/68/83/285076883.db2.gz DAFBKDWKGCHGSS-GOSISDBHSA-N 2 1 317.477 2.309 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000358181069 133126760 /nfs/dbraw/zinc/12/67/60/133126760.db2.gz BYPRQFPAVYMTNS-QGZVFWFLSA-N 2 1 322.497 2.060 10 0 DEAEMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195336315 145091504 /nfs/dbraw/zinc/09/15/04/145091504.db2.gz JMXSVWHROAUTFS-GOSISDBHSA-N 2 1 313.445 2.203 10 0 DEAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000246337620 145099622 /nfs/dbraw/zinc/09/96/22/145099622.db2.gz GOXWTUBDSJFYAK-LNCBFAARSA-N 2 1 301.434 2.431 10 0 DEAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C[C@H]1n1ccnc1 ZINC000247005604 145123268 /nfs/dbraw/zinc/12/32/68/145123268.db2.gz DBYCUDDOCUDOGZ-CRAIPNDOSA-N 2 1 324.428 2.355 10 0 DEAEMP C[NH+](C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000247002829 145123283 /nfs/dbraw/zinc/12/32/83/145123283.db2.gz VTJUYYSXAUWFPQ-FBVQUNGASA-N 2 1 315.461 2.421 10 0 DEAEMP C[NH+](C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000247002829 145123284 /nfs/dbraw/zinc/12/32/84/145123284.db2.gz VTJUYYSXAUWFPQ-FBVQUNGASA-N 2 1 315.461 2.421 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000247506234 145139530 /nfs/dbraw/zinc/13/95/30/145139530.db2.gz ORPMYSKWRNNOJU-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000247506234 145139531 /nfs/dbraw/zinc/13/95/31/145139531.db2.gz ORPMYSKWRNNOJU-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000247506234 145139532 /nfs/dbraw/zinc/13/95/32/145139532.db2.gz ORPMYSKWRNNOJU-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247966208 145145432 /nfs/dbraw/zinc/14/54/32/145145432.db2.gz GUPXRNQTGQKDAV-RDJZCZTQSA-N 2 1 301.434 2.350 10 0 DEAEMP Cn1c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000261642460 145213178 /nfs/dbraw/zinc/21/31/78/145213178.db2.gz AKSLMIVUHWDFQP-MELADBBJSA-N 2 1 317.458 2.159 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2c1NCC2 ZINC000261787637 145226591 /nfs/dbraw/zinc/22/65/91/145226591.db2.gz FYZMFDCLBNZBAJ-FGTMMUONSA-N 2 1 315.461 2.338 10 0 DEAEMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1C ZINC000261862366 145234677 /nfs/dbraw/zinc/23/46/77/145234677.db2.gz CEZQWFSUALGPBL-ZACQAIPSSA-N 2 1 304.434 2.250 10 0 DEAEMP Cn1ccnc1C[N@@H+](C[C@@H]1CCSC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261948718 145245805 /nfs/dbraw/zinc/24/58/05/145245805.db2.gz NQLXXYDOIZOAFD-GJZGRUSLSA-N 2 1 320.506 2.117 10 0 DEAEMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261961534 145247402 /nfs/dbraw/zinc/24/74/02/145247402.db2.gz PPKQLHPPTDAADW-DXEWXGHRSA-N 2 1 320.408 2.396 10 0 DEAEMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1F ZINC000262003604 145252218 /nfs/dbraw/zinc/25/22/18/145252218.db2.gz VNWTZGGMYUTOEI-HNNXBMFYSA-N 2 1 305.397 2.228 10 0 DEAEMP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262035111 145254983 /nfs/dbraw/zinc/25/49/83/145254983.db2.gz XXSIYIDYQUMYEI-IEWDOMPSSA-N 2 1 300.446 2.364 10 0 DEAEMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000309894779 145350482 /nfs/dbraw/zinc/35/04/82/145350482.db2.gz NPVAWLWUNCAOQL-ZWKOTPCHSA-N 2 1 315.461 2.014 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358649937 147173764 /nfs/dbraw/zinc/17/37/64/147173764.db2.gz OMWSDIZPVFBILZ-DLBZAZTESA-N 2 1 322.497 2.010 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@@H](C)C1 ZINC000358649937 147173766 /nfs/dbraw/zinc/17/37/66/147173766.db2.gz OMWSDIZPVFBILZ-DLBZAZTESA-N 2 1 322.497 2.010 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000358666210 147177489 /nfs/dbraw/zinc/17/74/89/147177489.db2.gz NEEGJFIMZJLXME-QGZVFWFLSA-N 2 1 322.497 2.154 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000358666210 147177491 /nfs/dbraw/zinc/17/74/91/147177491.db2.gz NEEGJFIMZJLXME-QGZVFWFLSA-N 2 1 322.497 2.154 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000358666210 147177492 /nfs/dbraw/zinc/17/74/92/147177492.db2.gz NEEGJFIMZJLXME-QGZVFWFLSA-N 2 1 322.497 2.154 10 0 DEAEMP CC[C@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847460 148053903 /nfs/dbraw/zinc/05/39/03/148053903.db2.gz SDLGRHXFWFHVNE-YJBOKZPZSA-N 2 1 303.450 2.013 10 0 DEAEMP CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1 ZINC000000001034 401687445 /nfs/dbraw/zinc/68/74/45/401687445.db2.gz PMCPYLGCPSNSLS-MZBDJJRSSA-N 2 1 322.836 2.379 10 0 DEAEMP CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1 ZINC000000001034 401687446 /nfs/dbraw/zinc/68/74/46/401687446.db2.gz PMCPYLGCPSNSLS-MZBDJJRSSA-N 2 1 322.836 2.379 10 0 DEAEMP CC[NH+]1C[C@H]2C[N@H+](C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1 ZINC000000001034 401687447 /nfs/dbraw/zinc/68/74/47/401687447.db2.gz PMCPYLGCPSNSLS-MZBDJJRSSA-N 2 1 322.836 2.379 10 0 DEAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1C ZINC000123210924 402115697 /nfs/dbraw/zinc/11/56/97/402115697.db2.gz LTLAFSBOPROUNZ-DOTOQJQBSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1C ZINC000123210924 402115701 /nfs/dbraw/zinc/11/57/01/402115701.db2.gz LTLAFSBOPROUNZ-DOTOQJQBSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123210924 402115703 /nfs/dbraw/zinc/11/57/03/402115703.db2.gz LTLAFSBOPROUNZ-DOTOQJQBSA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123210924 402115707 /nfs/dbraw/zinc/11/57/07/402115707.db2.gz LTLAFSBOPROUNZ-DOTOQJQBSA-N 2 1 315.461 2.380 10 0 DEAEMP CCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878445 402237103 /nfs/dbraw/zinc/23/71/03/402237103.db2.gz CRTALKUFTSYMPK-DOTOQJQBSA-N 2 1 305.466 2.353 10 0 DEAEMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000176365189 402303478 /nfs/dbraw/zinc/30/34/78/402303478.db2.gz LIKSNCNISWVQCB-YDZMOUMUSA-N 2 1 322.497 2.174 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C12CCOCC2 ZINC000186323673 402420893 /nfs/dbraw/zinc/42/08/93/402420893.db2.gz HOARIGLLWSOKFP-IAGOWNOFSA-N 2 1 310.482 2.425 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C12CCOCC2 ZINC000186323673 402420897 /nfs/dbraw/zinc/42/08/97/402420897.db2.gz HOARIGLLWSOKFP-IAGOWNOFSA-N 2 1 310.482 2.425 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000178333384 402486040 /nfs/dbraw/zinc/48/60/40/402486040.db2.gz GFDAEFRMWICRJD-RDJZCZTQSA-N 2 1 318.465 2.303 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000178333384 402486042 /nfs/dbraw/zinc/48/60/42/402486042.db2.gz GFDAEFRMWICRJD-RDJZCZTQSA-N 2 1 318.465 2.303 10 0 DEAEMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245859847 402492152 /nfs/dbraw/zinc/49/21/52/402492152.db2.gz KOUPXTWVSDHLJM-CVEARBPZSA-N 2 1 320.481 2.225 10 0 DEAEMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245859847 402492153 /nfs/dbraw/zinc/49/21/53/402492153.db2.gz KOUPXTWVSDHLJM-CVEARBPZSA-N 2 1 320.481 2.225 10 0 DEAEMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246961040 402550946 /nfs/dbraw/zinc/55/09/46/402550946.db2.gz BQVHZRMLNLMZTC-AEFFLSMTSA-N 2 1 317.477 2.150 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246961040 402550949 /nfs/dbraw/zinc/55/09/49/402550949.db2.gz BQVHZRMLNLMZTC-AEFFLSMTSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CC(C)C ZINC000247371105 402565567 /nfs/dbraw/zinc/56/55/67/402565567.db2.gz FCPRKSMDZKAHLZ-IRXDYDNUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246427763 402530834 /nfs/dbraw/zinc/53/08/34/402530834.db2.gz MKVKCFXQPBVZSZ-BBWFWOEESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2CC)[C@@H](C)C1 ZINC000246427763 402530837 /nfs/dbraw/zinc/53/08/37/402530837.db2.gz MKVKCFXQPBVZSZ-BBWFWOEESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2CC)[C@@H](C)C1 ZINC000246427763 402530839 /nfs/dbraw/zinc/53/08/39/402530839.db2.gz MKVKCFXQPBVZSZ-BBWFWOEESA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178747371 402533821 /nfs/dbraw/zinc/53/38/21/402533821.db2.gz FWBYSMQQGPQLAA-WMLDXEAASA-N 2 1 301.434 2.019 10 0 DEAEMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246512813 402534746 /nfs/dbraw/zinc/53/47/46/402534746.db2.gz QPFIHTHLOVIRLV-XJNFMUPTSA-N 2 1 303.450 2.264 10 0 DEAEMP CO[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248406286 402589165 /nfs/dbraw/zinc/58/91/65/402589165.db2.gz BAHSGLPXPZUSRG-QFBILLFUSA-N 2 1 320.477 2.399 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000173395684 402696140 /nfs/dbraw/zinc/69/61/40/402696140.db2.gz KNCKRNWPPUGNEL-HOTGVXAUSA-N 2 1 324.513 2.375 10 0 DEAEMP C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC[NH2+]CC1 ZINC000262664123 402729624 /nfs/dbraw/zinc/72/96/24/402729624.db2.gz ILCGMCPMKGVECX-LNRIEFBSSA-N 2 1 307.482 2.144 10 0 DEAEMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192499086 402732774 /nfs/dbraw/zinc/73/27/74/402732774.db2.gz LKLLYGWZEAJXQB-CQSZACIVSA-N 2 1 319.474 2.422 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000174840922 402759595 /nfs/dbraw/zinc/75/95/95/402759595.db2.gz VZBFWJTWFZYXCJ-IXDOHACOSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183534107 402774532 /nfs/dbraw/zinc/77/45/32/402774532.db2.gz YLBPUBRAMHQIPS-AWEZNQCLSA-N 2 1 318.465 2.388 10 0 DEAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183534107 402774533 /nfs/dbraw/zinc/77/45/33/402774533.db2.gz YLBPUBRAMHQIPS-AWEZNQCLSA-N 2 1 318.465 2.388 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730235 402827310 /nfs/dbraw/zinc/82/73/10/402827310.db2.gz LGCGZIGLWMQBIB-DYVFJYSZSA-N 2 1 315.465 2.439 10 0 DEAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730235 402827312 /nfs/dbraw/zinc/82/73/12/402827312.db2.gz LGCGZIGLWMQBIB-DYVFJYSZSA-N 2 1 315.465 2.439 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730235 402827313 /nfs/dbraw/zinc/82/73/13/402827313.db2.gz LGCGZIGLWMQBIB-DYVFJYSZSA-N 2 1 315.465 2.439 10 0 DEAEMP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000301628862 403656778 /nfs/dbraw/zinc/65/67/78/403656778.db2.gz BUFOYLRWCHLRBA-CVEARBPZSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000301628862 403656781 /nfs/dbraw/zinc/65/67/81/403656781.db2.gz BUFOYLRWCHLRBA-CVEARBPZSA-N 2 1 303.793 2.407 10 0 DEAEMP CCOCC[N@H+]1CCN(c2nc(C)nc3c2CCCC3)C[C@H]1C ZINC000302061796 403706049 /nfs/dbraw/zinc/70/60/49/403706049.db2.gz UBSHTRIQHJWAEG-CQSZACIVSA-N 2 1 318.465 2.211 10 0 DEAEMP CCOCCN1CCN(c2nc(C)nc3c2CCCC3)C[C@H]1C ZINC000302061796 403706051 /nfs/dbraw/zinc/70/60/51/403706051.db2.gz UBSHTRIQHJWAEG-CQSZACIVSA-N 2 1 318.465 2.211 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000333358962 403733855 /nfs/dbraw/zinc/73/38/55/403733855.db2.gz KUBZDLAYYJZTRV-XHSDSOJGSA-N 2 1 310.486 2.018 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333384072 403739542 /nfs/dbraw/zinc/73/95/42/403739542.db2.gz NXBHLDXTCWJMAH-CVEARBPZSA-N 2 1 324.513 2.328 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000414857272 404750228 /nfs/dbraw/zinc/75/02/28/404750228.db2.gz CHYDDTBYXMVUER-RCCFBDPRSA-N 2 1 302.466 2.072 10 0 DEAEMP C(C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)CC1CCCCC1 ZINC000367317678 405010488 /nfs/dbraw/zinc/01/04/88/405010488.db2.gz MNEWGZOERFWRBW-LJQANCHMSA-N 2 1 323.525 2.343 10 0 DEAEMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361220380 404979915 /nfs/dbraw/zinc/97/99/15/404979915.db2.gz LOOSWHZJXRSKIY-KRWDZBQOSA-N 2 1 307.482 2.384 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390004745 405043707 /nfs/dbraw/zinc/04/37/07/405043707.db2.gz VVHFUMDZXPYKIS-BPQIPLTHSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@H](C[NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852008 405715670 /nfs/dbraw/zinc/71/56/70/405715670.db2.gz SPYIDBHGXNHMKB-WBVHZDCISA-N 2 1 303.450 2.142 10 0 DEAEMP CCn1nncc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459364867 405874628 /nfs/dbraw/zinc/87/46/28/405874628.db2.gz SVPAMRFMRSXFOU-KRWDZBQOSA-N 2 1 313.449 2.252 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000486987318 406196266 /nfs/dbraw/zinc/19/62/66/406196266.db2.gz MJPOUCNCBGIHTP-KRWDZBQOSA-N 2 1 306.475 2.362 10 0 DEAEMP O=C(CCC1C[NH2+]C1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638080308 406558407 /nfs/dbraw/zinc/55/84/07/406558407.db2.gz NQCXGNMKJFQBSZ-GOSISDBHSA-N 2 1 315.461 2.157 10 0 DEAEMP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876289 424849362 /nfs/dbraw/zinc/84/93/62/424849362.db2.gz INKUUWJZDKZIQQ-CQSZACIVSA-N 2 1 320.481 2.368 10 0 DEAEMP [NH3+]C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000390755808 424917676 /nfs/dbraw/zinc/91/76/76/424917676.db2.gz VURQECGXVFLZLZ-DAWZGUTISA-N 2 1 315.461 2.285 10 0 DEAEMP c1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000404474243 424927946 /nfs/dbraw/zinc/92/79/46/424927946.db2.gz OXGUBJUHCZECRK-UHFFFAOYSA-N 2 1 316.474 2.051 10 0 DEAEMP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312918 425621535 /nfs/dbraw/zinc/62/15/35/425621535.db2.gz HPSYKQLMBTUUGN-HUUCEWRRSA-N 2 1 304.500 2.039 10 0 DEAEMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000111635974 276156953 /nfs/dbraw/zinc/15/69/53/276156953.db2.gz XMYSAZBASYVXIJ-QZTJIDSGSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000111635974 276156954 /nfs/dbraw/zinc/15/69/54/276156954.db2.gz XMYSAZBASYVXIJ-QZTJIDSGSA-N 2 1 317.477 2.150 10 0 DEAEMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000164534004 278040931 /nfs/dbraw/zinc/04/09/31/278040931.db2.gz BSKJYOFOTSVNAH-RRCSTGOVSA-N 2 1 304.434 2.317 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246563123 279125483 /nfs/dbraw/zinc/12/54/83/279125483.db2.gz BKWAJRGGNLISKM-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000077793512 279158382 /nfs/dbraw/zinc/15/83/82/279158382.db2.gz FSLOFASWHBOEAE-XHSDSOJGSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183571100 280254310 /nfs/dbraw/zinc/25/43/10/280254310.db2.gz WLSHOFFGUQHZET-CQSZACIVSA-N 2 1 304.438 2.142 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183571100 280254311 /nfs/dbraw/zinc/25/43/11/280254311.db2.gz WLSHOFFGUQHZET-CQSZACIVSA-N 2 1 304.438 2.142 10 0 DEAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813558 300310004 /nfs/dbraw/zinc/31/00/04/300310004.db2.gz ADYYEFNOUBLPQZ-HOTGVXAUSA-N 2 1 307.482 2.371 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398014379 337303860 /nfs/dbraw/zinc/30/38/60/337303860.db2.gz FMYOHQURMCMFFS-KBAYOESNSA-N 2 1 315.461 2.155 10 0 DEAEMP C[N@H+](CCCNC(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000105128189 522761062 /nfs/dbraw/zinc/76/10/62/522761062.db2.gz NFJPSXRGWBRSKJ-UHFFFAOYSA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@@H+](CCCNC(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000105128189 522761070 /nfs/dbraw/zinc/76/10/70/522761070.db2.gz NFJPSXRGWBRSKJ-UHFFFAOYSA-N 2 1 322.497 2.131 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447990179 528117522 /nfs/dbraw/zinc/11/75/22/528117522.db2.gz RAMZBQOJUJKFLD-MRXNPFEDSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000447990179 528117525 /nfs/dbraw/zinc/11/75/25/528117525.db2.gz RAMZBQOJUJKFLD-MRXNPFEDSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000447990179 528117530 /nfs/dbraw/zinc/11/75/30/528117530.db2.gz RAMZBQOJUJKFLD-MRXNPFEDSA-N 2 1 322.497 2.058 10 0 DEAEMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360154601 535048189 /nfs/dbraw/zinc/04/81/89/535048189.db2.gz TXLREYPBNJGOKG-SJLPKXTDSA-N 2 1 317.477 2.403 10 0 DEAEMP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000191784307 535503001 /nfs/dbraw/zinc/50/30/01/535503001.db2.gz VFOLNZPBWQHZCT-INIZCTEOSA-N 2 1 305.470 2.109 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000193444641 535645673 /nfs/dbraw/zinc/64/56/73/535645673.db2.gz QSIRHGXARYWXRP-HNNXBMFYSA-N 2 1 321.469 2.222 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000381767840 685402395 /nfs/dbraw/zinc/40/23/95/685402395.db2.gz PDPDPRQRNMROIQ-RTBURBONSA-N 2 1 320.477 2.274 10 0 DEAEMP Cn1cccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041384 691990464 /nfs/dbraw/zinc/99/04/64/691990464.db2.gz PKTPNNNGNVYMIQ-SFHVURJKSA-N 2 1 314.433 2.135 10 0 DEAEMP CNC(=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716678574 792984375 /nfs/dbraw/zinc/98/43/75/792984375.db2.gz KZRDOCAYADVDES-BZSNNMDCSA-N 2 1 315.461 2.155 10 0 DEAEMP CC[S@@](=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680773 793001619 /nfs/dbraw/zinc/00/16/19/793001619.db2.gz UMTUIDPLJUMZDU-VDNWNZSNSA-N 2 1 320.502 2.398 10 0 DEAEMP OC1(CC[NH2+]Cc2ccon2)CC[NH+](Cc2ccccc2)CC1 ZINC000717929487 1081800362 /nfs/dbraw/zinc/80/03/62/1081800362.db2.gz YWVQLNHIOPYJLI-UHFFFAOYSA-N 2 1 315.417 2.181 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000701867900 1086387706 /nfs/dbraw/zinc/38/77/06/1086387706.db2.gz ODCNLYPQHIGWIK-GBRKPNRJSA-N 2 1 323.481 2.458 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000711436425 1087102844 /nfs/dbraw/zinc/10/28/44/1087102844.db2.gz BJOCCAZEVAMBHH-KBXIAJHMSA-N 2 1 311.470 2.362 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC000262036132 282248759 /nfs/dbraw/zinc/24/87/59/282248759.db2.gz XZXPRSJQZINOFN-WCXIOVBPSA-N 2 1 323.506 2.098 10 0 DEAEMP CN(C[C@@H]1CCC[N@H+]1C)c1cc(Br)ccc1C[NH3+] ZINC000092633061 185330383 /nfs/dbraw/zinc/33/03/83/185330383.db2.gz HVFKOFYUSRVFOS-ZDUSSCGKSA-N 2 1 312.255 2.438 10 0 DEAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccccc2F)CC1 ZINC000121373260 185789356 /nfs/dbraw/zinc/78/93/56/185789356.db2.gz OAECKMFADWOKOQ-SFHVURJKSA-N 2 1 319.468 2.470 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2ccccc2F)CC1 ZINC000121373260 185789358 /nfs/dbraw/zinc/78/93/58/185789358.db2.gz OAECKMFADWOKOQ-SFHVURJKSA-N 2 1 319.468 2.470 10 0 DEAEMP C[N@@H+](CCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900912 198003988 /nfs/dbraw/zinc/00/39/88/198003988.db2.gz BNZLDFOBCPWHEG-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP C[NH+](CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900912 198003989 /nfs/dbraw/zinc/00/39/89/198003989.db2.gz BNZLDFOBCPWHEG-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP C[NH+](CCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900912 198003991 /nfs/dbraw/zinc/00/39/91/198003991.db2.gz BNZLDFOBCPWHEG-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309693231 539877981 /nfs/dbraw/zinc/87/79/81/539877981.db2.gz CITYAIDGDOODMW-IRXDYDNUSA-N 2 1 303.450 2.093 10 0 DEAEMP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309746144 539878318 /nfs/dbraw/zinc/87/83/18/539878318.db2.gz XTHZQSDQARVAON-RCCFBDPRSA-N 2 1 315.461 2.094 10 0 DEAEMP COc1cc2[nH+]c(NCCC[NH2+]C(C)C)nc(N)c2cc1OC ZINC000247995212 356321239 /nfs/dbraw/zinc/32/12/39/356321239.db2.gz MDBMSOWTJXCVKA-UHFFFAOYSA-N 2 1 319.409 2.029 10 0 DEAEMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825276 357036321 /nfs/dbraw/zinc/03/63/21/357036321.db2.gz UGWJFGXFWRMWFW-XVGQJIODSA-N 2 1 324.428 2.113 10 0 DEAEMP CC1(C)CCC[C@H](C[NH+]2CCN(c3nccs3)CC2)[C@@H]1[NH3+] ZINC000094286288 193356451 /nfs/dbraw/zinc/35/64/51/193356451.db2.gz XCFAAELGNDBANB-KGLIPLIRSA-N 2 1 308.495 2.419 10 0 DEAEMP CCC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638875 193387958 /nfs/dbraw/zinc/38/79/58/193387958.db2.gz VQHNBTWIORLVHW-FJBKBRRZSA-N 2 1 316.511 2.324 10 0 DEAEMP CC[NH2+][C@H]1[C@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430084 193368506 /nfs/dbraw/zinc/36/85/06/193368506.db2.gz HKAUMPAKDNSOKI-KBPBESRZSA-N 2 1 300.487 2.261 10 0 DEAEMP CC[NH2+][C@@H]1[C@@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429311 193369054 /nfs/dbraw/zinc/36/90/54/193369054.db2.gz GZKJEUZPRHVULS-HUUCEWRRSA-N 2 1 300.487 2.261 10 0 DEAEMP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333877 245075301 /nfs/dbraw/zinc/07/53/01/245075301.db2.gz WPDHMXLTVURXCH-JQHSSLGASA-N 2 1 315.461 2.107 10 0 DEAEMP CCN1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333877 245075314 /nfs/dbraw/zinc/07/53/14/245075314.db2.gz WPDHMXLTVURXCH-JQHSSLGASA-N 2 1 315.461 2.107 10 0 DEAEMP COc1ccc2c(NCC[NH+]3CCOCC3)cc(C)[nH+]c2c1 ZINC000041474090 183193955 /nfs/dbraw/zinc/19/39/55/183193955.db2.gz IQSJEIJUCPOQLV-UHFFFAOYSA-N 2 1 301.390 2.296 10 0 DEAEMP COc1ccc(C[N@H+](C)C[C@@H](C)C(N)=[NH2+])cc1Br ZINC000042459877 183272658 /nfs/dbraw/zinc/27/26/58/183272658.db2.gz HKLVVQFSJSFFFN-SECBINFHSA-N 2 1 314.227 2.462 10 0 DEAEMP COc1ccc(C[N@@H+](C)C[C@@H](C)C(N)=[NH2+])cc1Br ZINC000042459877 183272660 /nfs/dbraw/zinc/27/26/60/183272660.db2.gz HKLVVQFSJSFFFN-SECBINFHSA-N 2 1 314.227 2.462 10 0 DEAEMP C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N1CC[NH+](C)CC1 ZINC000043284399 183350848 /nfs/dbraw/zinc/35/08/48/183350848.db2.gz UVZPUVAQXAQHLZ-BXKDBHETSA-N 2 1 318.284 2.146 10 0 DEAEMP CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000062711693 184248933 /nfs/dbraw/zinc/24/89/33/184248933.db2.gz OAQDATWPFPMELT-RISCZKNCSA-N 2 1 301.356 2.130 10 0 DEAEMP c1cc(C[N@H+]2CCCC3(CC[NH+](C[C@@H]4CCCO4)CC3)C2)n[nH]1 ZINC000063526977 184284792 /nfs/dbraw/zinc/28/47/92/184284792.db2.gz XSGCMGQMXXYMNR-KRWDZBQOSA-N 2 1 318.465 2.267 10 0 DEAEMP c1cc(C[N@@H+]2CCCC3(CC[NH+](C[C@@H]4CCCO4)CC3)C2)n[nH]1 ZINC000063526977 184284793 /nfs/dbraw/zinc/28/47/93/184284793.db2.gz XSGCMGQMXXYMNR-KRWDZBQOSA-N 2 1 318.465 2.267 10 0 DEAEMP COc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1C[NH+]1CCCC1 ZINC000065408283 184339582 /nfs/dbraw/zinc/33/95/82/184339582.db2.gz UXTZQWBOZSHQKE-QGZVFWFLSA-N 2 1 312.417 2.249 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@H](C)C1 ZINC000184240972 285383543 /nfs/dbraw/zinc/38/35/43/285383543.db2.gz DFFUMKLGBDUUQF-CVEARBPZSA-N 2 1 309.498 2.474 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358200437 133127644 /nfs/dbraw/zinc/12/76/44/133127644.db2.gz ZZTDBNFUERSRMD-IRXDYDNUSA-N 2 1 322.497 2.201 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358200437 133127645 /nfs/dbraw/zinc/12/76/45/133127645.db2.gz ZZTDBNFUERSRMD-IRXDYDNUSA-N 2 1 322.497 2.201 10 0 DEAEMP C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703246 133246642 /nfs/dbraw/zinc/24/66/42/133246642.db2.gz PSHRBWKSGOPLCS-HKUYNNGSSA-N 2 1 301.478 2.187 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCS[C@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564803594 292111746 /nfs/dbraw/zinc/11/17/46/292111746.db2.gz KGJPRVOUIBQCSX-IRXDYDNUSA-N 2 1 304.459 2.039 10 0 DEAEMP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCOCC2 ZINC000248998776 145175498 /nfs/dbraw/zinc/17/54/98/145175498.db2.gz PVBVGPOHFRUYPJ-QHEDDYRISA-N 2 1 308.466 2.175 10 0 DEAEMP C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544245 145206470 /nfs/dbraw/zinc/20/64/70/145206470.db2.gz ISAQTBREBDLJFL-RWQQGDIJSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544245 145206471 /nfs/dbraw/zinc/20/64/71/145206471.db2.gz ISAQTBREBDLJFL-RWQQGDIJSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544245 145206472 /nfs/dbraw/zinc/20/64/72/145206472.db2.gz ISAQTBREBDLJFL-RWQQGDIJSA-N 3 1 301.478 2.485 10 0 DEAEMP c1nn(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261646001 145212977 /nfs/dbraw/zinc/21/29/77/145212977.db2.gz DTESSGVGCVGORD-GOSISDBHSA-N 2 1 311.433 2.231 10 0 DEAEMP COc1cccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261741394 145221956 /nfs/dbraw/zinc/22/19/56/145221956.db2.gz PFKJBAUDFMGMSQ-HNNXBMFYSA-N 2 1 305.422 2.083 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000261794368 145227456 /nfs/dbraw/zinc/22/74/56/145227456.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 2 1 302.466 2.006 10 0 DEAEMP CN1CC[C@@H](C[N@H+](C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000261794368 145227458 /nfs/dbraw/zinc/22/74/58/145227458.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 2 1 302.466 2.006 10 0 DEAEMP CN1CC[C@@H](C[N@@H+](C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000261794368 145227461 /nfs/dbraw/zinc/22/74/61/145227461.db2.gz GJVZFLSHDJRSCY-SZMVWBNQSA-N 2 1 302.466 2.006 10 0 DEAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261868887 145235192 /nfs/dbraw/zinc/23/51/92/145235192.db2.gz XQQUKJDWEHMDID-FGTMMUONSA-N 2 1 315.461 2.142 10 0 DEAEMP COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261941013 145245026 /nfs/dbraw/zinc/24/50/26/145245026.db2.gz MUQMMLHMTHWPAR-KZNAEPCWSA-N 2 1 304.434 2.080 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261954425 145246128 /nfs/dbraw/zinc/24/61/28/145246128.db2.gz OTSPTZWKIRGNQG-KZNAEPCWSA-N 2 1 304.434 2.332 10 0 DEAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309902554 145350244 /nfs/dbraw/zinc/35/02/44/145350244.db2.gz PHERICSAWQQECX-RYQLBKOJSA-N 2 1 317.477 2.388 10 0 DEAEMP c1nc([C@H]2CCC[N@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305455 148005070 /nfs/dbraw/zinc/00/50/70/148005070.db2.gz KRDFPEDAPOWNBM-AWEZNQCLSA-N 2 1 305.422 2.162 10 0 DEAEMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000111635976 401719181 /nfs/dbraw/zinc/71/91/81/401719181.db2.gz XMYSAZBASYVXIJ-ZWKOTPCHSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000111635976 401719182 /nfs/dbraw/zinc/71/91/82/401719182.db2.gz XMYSAZBASYVXIJ-ZWKOTPCHSA-N 2 1 317.477 2.150 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115815245 401837747 /nfs/dbraw/zinc/83/77/47/401837747.db2.gz SBVJIOZQEGJRHI-QGZVFWFLSA-N 2 1 324.513 2.092 10 0 DEAEMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(C)(C)C ZINC000116566754 401854838 /nfs/dbraw/zinc/85/48/38/401854838.db2.gz FWKBSABWECXPGB-CVEARBPZSA-N 2 1 324.513 2.233 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000093143057 402012361 /nfs/dbraw/zinc/01/23/61/402012361.db2.gz YWMHZUFYPLBHEL-UHFFFAOYSA-N 2 1 321.490 2.124 10 0 DEAEMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000124686163 402191850 /nfs/dbraw/zinc/19/18/50/402191850.db2.gz LTYJLINSZWOSKF-UHFFFAOYSA-N 2 1 313.445 2.203 10 0 DEAEMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186786503 402464270 /nfs/dbraw/zinc/46/42/70/402464270.db2.gz ZSBNUIDLZVMNGN-KBAYOESNSA-N 2 1 315.461 2.013 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245480578 402464557 /nfs/dbraw/zinc/46/45/57/402464557.db2.gz XLEDEDHAVDVVMZ-IRXDYDNUSA-N 2 1 324.513 2.234 10 0 DEAEMP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCCn3cc[nH+]c3C)[C@@H]2C1 ZINC000245570522 402471481 /nfs/dbraw/zinc/47/14/81/402471481.db2.gz GMFCJUCUVAVCGH-ZACQAIPSSA-N 2 1 307.438 2.240 10 0 DEAEMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCCCn3cc[nH+]c3C)[C@@H]2C1 ZINC000245570522 402471483 /nfs/dbraw/zinc/47/14/83/402471483.db2.gz GMFCJUCUVAVCGH-ZACQAIPSSA-N 2 1 307.438 2.240 10 0 DEAEMP Cc1cc(C)n2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cnc2n1 ZINC000245691067 402480051 /nfs/dbraw/zinc/48/00/51/402480051.db2.gz ARVZAZJLPXQQJE-DOTOQJQBSA-N 2 1 313.449 2.262 10 0 DEAEMP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178312913 402484226 /nfs/dbraw/zinc/48/42/26/402484226.db2.gz ULKLXVSRNHIQRP-MRXNPFEDSA-N 2 1 306.454 2.352 10 0 DEAEMP CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178312913 402484227 /nfs/dbraw/zinc/48/42/27/402484227.db2.gz ULKLXVSRNHIQRP-MRXNPFEDSA-N 2 1 306.454 2.352 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247255354 402561792 /nfs/dbraw/zinc/56/17/92/402561792.db2.gz NSNRCUDLSHITHR-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000246191163 402517592 /nfs/dbraw/zinc/51/75/92/402517592.db2.gz MKUKQTHRXAMIHE-RDJZCZTQSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000246191163 402517594 /nfs/dbraw/zinc/51/75/94/402517594.db2.gz MKUKQTHRXAMIHE-RDJZCZTQSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000246191163 402517595 /nfs/dbraw/zinc/51/75/95/402517595.db2.gz MKUKQTHRXAMIHE-RDJZCZTQSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246199132 402518026 /nfs/dbraw/zinc/51/80/26/402518026.db2.gz MWZOKDYKCCHBGS-ZACQAIPSSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246335256 402525802 /nfs/dbraw/zinc/52/58/02/402525802.db2.gz DEOIXQBACOXTDU-PMPSAXMXSA-N 2 1 312.502 2.088 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246446872 402531503 /nfs/dbraw/zinc/53/15/03/402531503.db2.gz NZSHJEYFYRAWAC-HZPDHXFCSA-N 2 1 312.502 2.090 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246446872 402531505 /nfs/dbraw/zinc/53/15/05/402531505.db2.gz NZSHJEYFYRAWAC-HZPDHXFCSA-N 2 1 312.502 2.090 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246446872 402531507 /nfs/dbraw/zinc/53/15/07/402531507.db2.gz NZSHJEYFYRAWAC-HZPDHXFCSA-N 2 1 312.502 2.090 10 0 DEAEMP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246579766 402537279 /nfs/dbraw/zinc/53/72/79/402537279.db2.gz ZSKYIBXCPBFJDN-DLBZAZTESA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@@H](CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182700985 402709911 /nfs/dbraw/zinc/70/99/11/402709911.db2.gz NDQOWBKCVSXMAH-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183516482 402773516 /nfs/dbraw/zinc/77/35/16/402773516.db2.gz HEUYPYPLHOMFSQ-HUUCEWRRSA-N 2 1 318.465 2.245 10 0 DEAEMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183536208 402774722 /nfs/dbraw/zinc/77/47/22/402774722.db2.gz CFZGHEALGYOXHP-QLFBSQMISA-N 2 1 318.465 2.244 10 0 DEAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183536208 402774726 /nfs/dbraw/zinc/77/47/26/402774726.db2.gz CFZGHEALGYOXHP-QLFBSQMISA-N 2 1 318.465 2.244 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000175209742 402788265 /nfs/dbraw/zinc/78/82/65/402788265.db2.gz KFXIZUXIOZLDJX-KRWDZBQOSA-N 2 1 320.481 2.320 10 0 DEAEMP Cc1noc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040560 403116086 /nfs/dbraw/zinc/11/60/86/403116086.db2.gz LLJNOMZLBPPHJL-ZDUSSCGKSA-N 2 1 301.394 2.290 10 0 DEAEMP c1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000568266948 292328240 /nfs/dbraw/zinc/32/82/40/292328240.db2.gz VGSJQLPRSHYPLM-MRXNPFEDSA-N 2 1 311.433 2.134 10 0 DEAEMP c1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000568266948 292328242 /nfs/dbraw/zinc/32/82/42/292328242.db2.gz VGSJQLPRSHYPLM-MRXNPFEDSA-N 2 1 311.433 2.134 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000396392982 405057246 /nfs/dbraw/zinc/05/72/46/405057246.db2.gz ROWLFMMGESXDGU-RYRKJORJSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000396392982 405057251 /nfs/dbraw/zinc/05/72/51/405057251.db2.gz ROWLFMMGESXDGU-RYRKJORJSA-N 2 1 315.461 2.107 10 0 DEAEMP CNC(=O)c1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283733 405057746 /nfs/dbraw/zinc/05/77/46/405057746.db2.gz BSNQIOBHGGRTQB-CQSZACIVSA-N 2 1 301.434 2.010 10 0 DEAEMP c1nnc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364354 405333164 /nfs/dbraw/zinc/33/31/64/405333164.db2.gz QPLDKAXPOFIWAK-GJZGRUSLSA-N 2 1 303.454 2.182 10 0 DEAEMP CC[C@@H]1C[N@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000390767110 424917564 /nfs/dbraw/zinc/91/75/64/424917564.db2.gz RTIJTUUTSNZFLV-IAGOWNOFSA-N 2 1 303.450 2.094 10 0 DEAEMP CC[C@@H]1C[N@@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000390767110 424917566 /nfs/dbraw/zinc/91/75/66/424917566.db2.gz RTIJTUUTSNZFLV-IAGOWNOFSA-N 2 1 303.450 2.094 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425663 424932720 /nfs/dbraw/zinc/93/27/20/424932720.db2.gz KDEWXNXHZAZUDN-ROUUACIJSA-N 2 1 315.461 2.155 10 0 DEAEMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccccc1Br ZINC000311090518 424895244 /nfs/dbraw/zinc/89/52/44/424895244.db2.gz ICKJDSBQXRLEGG-NWDGAFQWSA-N 2 1 315.255 2.412 10 0 DEAEMP C[C@@]1(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)CC[NH2+]C1 ZINC000261925475 278121520 /nfs/dbraw/zinc/12/15/20/278121520.db2.gz CBKFKIOWRZOELP-GOSISDBHSA-N 2 1 311.433 2.231 10 0 DEAEMP Cc1nc(C)n(C[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163049221 279080227 /nfs/dbraw/zinc/08/02/27/279080227.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 2 1 305.470 2.091 10 0 DEAEMP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163049221 279080230 /nfs/dbraw/zinc/08/02/30/279080230.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 2 1 305.470 2.091 10 0 DEAEMP Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163049221 279080232 /nfs/dbraw/zinc/08/02/32/279080232.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 2 1 305.470 2.091 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136979070 279125495 /nfs/dbraw/zinc/12/54/95/279125495.db2.gz BKWAJRGGNLISKM-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000245457965 279298314 /nfs/dbraw/zinc/29/83/14/279298314.db2.gz CJWTXBPYLPPEQW-HUUCEWRRSA-N 2 1 322.453 2.008 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000245457965 279298316 /nfs/dbraw/zinc/29/83/16/279298316.db2.gz CJWTXBPYLPPEQW-HUUCEWRRSA-N 2 1 322.453 2.008 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245678803 279309271 /nfs/dbraw/zinc/30/92/71/279309271.db2.gz GESXQMZGPVEJSR-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398014381 337303989 /nfs/dbraw/zinc/30/39/89/337303989.db2.gz FMYOHQURMCMFFS-NJAFHUGGSA-N 2 1 315.461 2.155 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362905296 535081775 /nfs/dbraw/zinc/08/17/75/535081775.db2.gz RKFQJMVJFRSKSY-QGZVFWFLSA-N 2 1 309.498 2.203 10 0 DEAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000262029123 536897814 /nfs/dbraw/zinc/89/78/14/536897814.db2.gz XJJUJHRNMRGYCA-BMFZPTHFSA-N 2 1 308.397 2.081 10 0 DEAEMP [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000379667365 685393015 /nfs/dbraw/zinc/39/30/15/685393015.db2.gz ZJIPUNVGYQBXCB-ROUUACIJSA-N 2 1 315.461 2.285 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381828617 685402336 /nfs/dbraw/zinc/40/23/36/685402336.db2.gz IAUHGNLFVNYKAL-NZSAHSFTSA-N 2 1 320.477 2.273 10 0 DEAEMP Cc1nocc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886029119 691987369 /nfs/dbraw/zinc/98/73/69/691987369.db2.gz QVJINKIKGRYHMO-KRWDZBQOSA-N 2 1 316.405 2.093 10 0 DEAEMP Cn1cc(C[N@H+](C)CCCCCC[NH3+])c(Br)n1 ZINC000712437471 792187595 /nfs/dbraw/zinc/18/75/95/792187595.db2.gz YYQCSSAZFRBDDQ-UHFFFAOYSA-N 2 1 303.248 2.134 10 0 DEAEMP Cn1cc(C[N@@H+](C)CCCCCC[NH3+])c(Br)n1 ZINC000712437471 792187602 /nfs/dbraw/zinc/18/76/02/792187602.db2.gz YYQCSSAZFRBDDQ-UHFFFAOYSA-N 2 1 303.248 2.134 10 0 DEAEMP C[C@]1(CNC2=[NH+]CCCCN2)CC[N@@H+](Cc2ccccc2)C1 ZINC000700042926 1086307654 /nfs/dbraw/zinc/30/76/54/1086307654.db2.gz JHDABJVLTSWTDJ-GOSISDBHSA-N 2 1 300.450 2.228 10 0 DEAEMP COC(C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420125 /nfs/dbraw/zinc/42/01/25/1086420125.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420131 /nfs/dbraw/zinc/42/01/31/1086420131.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420135 /nfs/dbraw/zinc/42/01/35/1086420135.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420140 /nfs/dbraw/zinc/42/01/40/1086420140.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 2 1 304.434 2.059 10 0 DEAEMP CC1(C)CO[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000708331585 1086677838 /nfs/dbraw/zinc/67/78/38/1086677838.db2.gz QJCHSQCUPNWXTO-HKUYNNGSSA-N 2 1 318.461 2.028 10 0 DEAEMP CC1(C)CO[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000708331585 1086677843 /nfs/dbraw/zinc/67/78/43/1086677843.db2.gz QJCHSQCUPNWXTO-HKUYNNGSSA-N 2 1 318.461 2.028 10 0 DEAEMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000709478138 1086682912 /nfs/dbraw/zinc/68/29/12/1086682912.db2.gz MMXCVISXNMQWSX-AYBZRNKSSA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000711436434 1087102876 /nfs/dbraw/zinc/10/28/76/1087102876.db2.gz BJOCCAZEVAMBHH-ZQDZILKHSA-N 2 1 311.470 2.362 10 0 DEAEMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000719908597 1089403579 /nfs/dbraw/zinc/40/35/79/1089403579.db2.gz FZTCKBRJWCGYHZ-QGZVFWFLSA-N 2 1 315.461 2.381 10 0 DEAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)CCC(F)(F)F)C(N)=O ZINC000088434985 185250201 /nfs/dbraw/zinc/25/02/01/185250201.db2.gz PAZUSFKKGIZVKI-CYBMUJFWSA-N 2 1 311.392 2.283 10 0 DEAEMP C[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438772 185296667 /nfs/dbraw/zinc/29/66/67/185296667.db2.gz DIENTRPRFSQUPT-OCCSQVGLSA-N 2 1 313.239 2.115 10 0 DEAEMP C[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438772 185296668 /nfs/dbraw/zinc/29/66/68/185296668.db2.gz DIENTRPRFSQUPT-OCCSQVGLSA-N 2 1 313.239 2.115 10 0 DEAEMP C[N@H+](Cc1csc(Br)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606848 185306267 /nfs/dbraw/zinc/30/62/67/185306267.db2.gz PUWPPMCCVUAZQS-CMPLNLGQSA-N 2 1 319.268 2.306 10 0 DEAEMP C[N@@H+](Cc1csc(Br)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606848 185306268 /nfs/dbraw/zinc/30/62/68/185306268.db2.gz PUWPPMCCVUAZQS-CMPLNLGQSA-N 2 1 319.268 2.306 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000183690699 282306622 /nfs/dbraw/zinc/30/66/22/282306622.db2.gz MOULBUXCJXIZCN-OAHLLOKOSA-N 2 1 316.449 2.238 10 0 DEAEMP C[N@H+](Cc1cc(N)cc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000148059223 186042343 /nfs/dbraw/zinc/04/23/43/186042343.db2.gz WVFHDNSFDJIWIW-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1cc(N)cc(Br)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000148059223 186042344 /nfs/dbraw/zinc/04/23/44/186042344.db2.gz WVFHDNSFDJIWIW-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1cc(N)cc(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000148059223 186042346 /nfs/dbraw/zinc/04/23/46/186042346.db2.gz WVFHDNSFDJIWIW-LLVKDONJSA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000171506172 186169700 /nfs/dbraw/zinc/16/97/00/186169700.db2.gz XGTYTVZGVKHMMM-GOSISDBHSA-N 2 1 315.461 2.376 10 0 DEAEMP CN1C[C@@]2(CCC[N@@H+](Cc3cc(C[NH+](C)C)cs3)C2)OC1=O ZINC000072432372 191164999 /nfs/dbraw/zinc/16/49/99/191164999.db2.gz YOUFHOOFGHZSLZ-MRXNPFEDSA-N 2 1 323.462 2.226 10 0 DEAEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000066243185 354705872 /nfs/dbraw/zinc/70/58/72/354705872.db2.gz JKDDCESFGSKROM-HNNXBMFYSA-N 2 1 300.450 2.500 10 0 DEAEMP CC[NH+]1CCC([N@H+](C)C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797502 192191543 /nfs/dbraw/zinc/19/15/43/192191543.db2.gz ZKLCKJVPXRILMH-MRXNPFEDSA-N 2 1 305.491 2.472 10 0 DEAEMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C(N)=S)c2ccccc2)CC1 ZINC000080797502 192191545 /nfs/dbraw/zinc/19/15/45/192191545.db2.gz ZKLCKJVPXRILMH-MRXNPFEDSA-N 2 1 305.491 2.472 10 0 DEAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263283822 356344435 /nfs/dbraw/zinc/34/44/35/356344435.db2.gz SZHZDJJEMNNOQC-MULDDASSSA-N 2 1 321.509 2.390 10 0 DEAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2nccn2c1 ZINC000608313839 361196344 /nfs/dbraw/zinc/19/63/44/361196344.db2.gz OJTFLHIPVAKMFM-ZDUSSCGKSA-N 2 1 301.394 2.140 10 0 DEAEMP Nc1[nH+]c2cccc(Cl)c2n1C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675118 193089378 /nfs/dbraw/zinc/08/93/78/193089378.db2.gz HQVBRXYZCCSKQJ-MNOVXSKESA-N 2 1 306.797 2.135 10 0 DEAEMP CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756562 193301295 /nfs/dbraw/zinc/30/12/95/193301295.db2.gz ZCPFTDRQKJWWGV-AAEUAGOBSA-N 2 1 309.376 2.037 10 0 DEAEMP CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756562 193301296 /nfs/dbraw/zinc/30/12/96/193301296.db2.gz ZCPFTDRQKJWWGV-AAEUAGOBSA-N 2 1 309.376 2.037 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453400396 245114697 /nfs/dbraw/zinc/11/46/97/245114697.db2.gz MAESMQUNGPNMOH-SUMDDJOVSA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@@H](C[N@@H+](C)CCOc1ccc(Br)cc1)C(N)=[NH2+] ZINC000042459867 183272616 /nfs/dbraw/zinc/27/26/16/183272616.db2.gz QMOPFQXUVAPXCW-JTQLQIEISA-N 2 1 314.227 2.332 10 0 DEAEMP CC[C@@H](N)[C@@H](c1sccc1C)[NH+]1CCC(CC(N)=O)CC1 ZINC000043248753 183346562 /nfs/dbraw/zinc/34/65/62/183346562.db2.gz MGTYBGLRYSDMCE-HIFRSBDPSA-N 2 1 309.479 2.422 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000105922627 194170875 /nfs/dbraw/zinc/17/08/75/194170875.db2.gz RUEUPRMCKCYMDT-HOTGVXAUSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000105922627 194170877 /nfs/dbraw/zinc/17/08/77/194170877.db2.gz RUEUPRMCKCYMDT-HOTGVXAUSA-N 2 1 318.465 2.483 10 0 DEAEMP C[C@@H]1CN(c2nc(-c3ccccc3)c(C[NH3+])s2)CC[N@H+]1C ZINC000110760102 194356747 /nfs/dbraw/zinc/35/67/47/194356747.db2.gz MVMLXNKJKFHOTM-GFCCVEGCSA-N 2 1 302.447 2.409 10 0 DEAEMP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014403 184201286 /nfs/dbraw/zinc/20/12/86/184201286.db2.gz FXQHRAWUVCPMFK-ZDUSSCGKSA-N 2 1 309.841 2.155 10 0 DEAEMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014403 184201287 /nfs/dbraw/zinc/20/12/87/184201287.db2.gz FXQHRAWUVCPMFK-ZDUSSCGKSA-N 2 1 309.841 2.155 10 0 DEAEMP CC(C)[NH2+]Cc1nc(CN2CCC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000062942513 184261642 /nfs/dbraw/zinc/26/16/42/184261642.db2.gz UIISECMKUCIAEL-OAHLLOKOSA-N 2 1 308.495 2.311 10 0 DEAEMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183534091 296386640 /nfs/dbraw/zinc/38/66/40/296386640.db2.gz YLBPUBRAMHQIPS-CQSZACIVSA-N 2 1 318.465 2.388 10 0 DEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183534091 296386642 /nfs/dbraw/zinc/38/66/42/296386642.db2.gz YLBPUBRAMHQIPS-CQSZACIVSA-N 2 1 318.465 2.388 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000155571701 197068427 /nfs/dbraw/zinc/06/84/27/197068427.db2.gz WSPWAHPBCNVSNK-JKSUJKDBSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000155571701 197068429 /nfs/dbraw/zinc/06/84/29/197068429.db2.gz WSPWAHPBCNVSNK-JKSUJKDBSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000155571701 197068431 /nfs/dbraw/zinc/06/84/31/197068431.db2.gz WSPWAHPBCNVSNK-JKSUJKDBSA-N 2 1 312.502 2.136 10 0 DEAEMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000262023965 285508553 /nfs/dbraw/zinc/50/85/53/285508553.db2.gz WVESWYUBVQJQQB-MANSERQUSA-N 2 1 300.446 2.291 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246393555 145101219 /nfs/dbraw/zinc/10/12/19/145101219.db2.gz RCSRJDHIHABVIL-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000246864357 145117250 /nfs/dbraw/zinc/11/72/50/145117250.db2.gz CTOTUSMAVXIXDS-INMHGKMJSA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000246864357 145117251 /nfs/dbraw/zinc/11/72/51/145117251.db2.gz CTOTUSMAVXIXDS-INMHGKMJSA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC000246914585 145119114 /nfs/dbraw/zinc/11/91/14/145119114.db2.gz GFDAEFRMWICRJD-NVXWUHKLSA-N 2 1 318.465 2.303 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCC(C)CC1 ZINC000246914585 145119116 /nfs/dbraw/zinc/11/91/16/145119116.db2.gz GFDAEFRMWICRJD-NVXWUHKLSA-N 2 1 318.465 2.303 10 0 DEAEMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247160403 145127220 /nfs/dbraw/zinc/12/72/20/145127220.db2.gz USYQZZRJKGDUQP-HOCLYGCPSA-N 2 1 321.469 2.096 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247160403 145127221 /nfs/dbraw/zinc/12/72/21/145127221.db2.gz USYQZZRJKGDUQP-HOCLYGCPSA-N 2 1 321.469 2.096 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000247500394 145139137 /nfs/dbraw/zinc/13/91/37/145139137.db2.gz UZKXBPCZLNZZRI-HOTGVXAUSA-N 2 1 322.497 2.129 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000247884449 145144919 /nfs/dbraw/zinc/14/49/19/145144919.db2.gz CRIAKXZUQYLWDX-NVXWUHKLSA-N 2 1 301.434 2.431 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000247884449 145144920 /nfs/dbraw/zinc/14/49/20/145144920.db2.gz CRIAKXZUQYLWDX-NVXWUHKLSA-N 2 1 301.434 2.431 10 0 DEAEMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054454 145147665 /nfs/dbraw/zinc/14/76/65/145147665.db2.gz WZVLEHGRRVTXBM-JLZZUVOBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054454 145147667 /nfs/dbraw/zinc/14/76/67/145147667.db2.gz WZVLEHGRRVTXBM-JLZZUVOBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054454 145147668 /nfs/dbraw/zinc/14/76/68/145147668.db2.gz WZVLEHGRRVTXBM-JLZZUVOBSA-N 2 1 310.388 2.414 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054454 145147669 /nfs/dbraw/zinc/14/76/69/145147669.db2.gz WZVLEHGRRVTXBM-JLZZUVOBSA-N 2 1 310.388 2.414 10 0 DEAEMP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CC(C)(C)[NH3+])cs1 ZINC000261703602 145218168 /nfs/dbraw/zinc/21/81/68/145218168.db2.gz IFQXOCBETRNORQ-JSGCOSHPSA-N 2 1 314.474 2.033 10 0 DEAEMP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CC(C)(C)[NH3+])cs1 ZINC000261703602 145218171 /nfs/dbraw/zinc/21/81/71/145218171.db2.gz IFQXOCBETRNORQ-JSGCOSHPSA-N 2 1 314.474 2.033 10 0 DEAEMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1C ZINC000261862361 145234667 /nfs/dbraw/zinc/23/46/67/145234667.db2.gz CEZQWFSUALGPBL-GVDBMIGSSA-N 2 1 304.434 2.250 10 0 DEAEMP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261903395 145239670 /nfs/dbraw/zinc/23/96/70/145239670.db2.gz HZMFXBHZRSHPOD-KZNAEPCWSA-N 2 1 318.461 2.429 10 0 DEAEMP Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262053922 145257480 /nfs/dbraw/zinc/25/74/80/145257480.db2.gz ZXVGACKZLKXNCW-XYPHTWIQSA-N 2 1 310.388 2.254 10 0 DEAEMP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358674168 147179341 /nfs/dbraw/zinc/17/93/41/147179341.db2.gz YPFNIVKKOONHDJ-UHFFFAOYSA-N 2 1 322.497 2.154 10 0 DEAEMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cnc4cnccn34)C2)c1 ZINC000371374148 148094894 /nfs/dbraw/zinc/09/48/94/148094894.db2.gz PQBRFYWQZBETMD-OAHLLOKOSA-N 2 1 322.416 2.367 10 0 DEAEMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224384 /nfs/dbraw/zinc/22/43/84/148224384.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 2 1 311.433 2.183 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224385 /nfs/dbraw/zinc/22/43/85/148224385.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 2 1 311.433 2.183 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224388 /nfs/dbraw/zinc/22/43/88/148224388.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 2 1 311.433 2.183 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128324048 401771633 /nfs/dbraw/zinc/77/16/33/401771633.db2.gz IMGFBEGYCBZNKL-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128324048 401771637 /nfs/dbraw/zinc/77/16/37/401771637.db2.gz IMGFBEGYCBZNKL-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128324048 401771640 /nfs/dbraw/zinc/77/16/40/401771640.db2.gz IMGFBEGYCBZNKL-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000132441585 401867616 /nfs/dbraw/zinc/86/76/16/401867616.db2.gz ULSYNDXYHJTHQT-IKGGRYGDSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000132441585 401867621 /nfs/dbraw/zinc/86/76/21/401867621.db2.gz ULSYNDXYHJTHQT-IKGGRYGDSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000132441585 401867625 /nfs/dbraw/zinc/86/76/25/401867625.db2.gz ULSYNDXYHJTHQT-IKGGRYGDSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC3CCCC3)CC2)C1 ZINC000119180189 401931371 /nfs/dbraw/zinc/93/13/71/401931371.db2.gz NEZSLQLMLJABJV-IBGZPJMESA-N 2 1 323.525 2.294 10 0 DEAEMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NCc1cccs1 ZINC000047970344 401991434 /nfs/dbraw/zinc/99/14/34/401991434.db2.gz SWYVPEQZJYGGDD-UHFFFAOYSA-N 2 1 321.490 2.172 10 0 DEAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000151329554 402030272 /nfs/dbraw/zinc/03/02/72/402030272.db2.gz DHKNAZDJCQFQSD-OALUTQOASA-N 2 1 320.477 2.228 10 0 DEAEMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)C ZINC000123625894 402138372 /nfs/dbraw/zinc/13/83/72/402138372.db2.gz WWFGFNLFJSXKFO-INIZCTEOSA-N 2 1 320.481 2.320 10 0 DEAEMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)C ZINC000123625894 402138376 /nfs/dbraw/zinc/13/83/76/402138376.db2.gz WWFGFNLFJSXKFO-INIZCTEOSA-N 2 1 320.481 2.320 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000177420649 402400131 /nfs/dbraw/zinc/40/01/31/402400131.db2.gz IXCFWKZIHIDFOS-INIZCTEOSA-N 2 1 324.513 2.375 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)nc1 ZINC000163454506 402450196 /nfs/dbraw/zinc/45/01/96/402450196.db2.gz FKNGOKXCQXWAFS-WBVHZDCISA-N 2 1 302.466 2.431 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nc1 ZINC000163454506 402450197 /nfs/dbraw/zinc/45/01/97/402450197.db2.gz FKNGOKXCQXWAFS-WBVHZDCISA-N 2 1 302.466 2.431 10 0 DEAEMP Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC000187363618 402496234 /nfs/dbraw/zinc/49/62/34/402496234.db2.gz MGTBTHBEOVIWCL-UHFFFAOYSA-N 2 1 304.482 2.156 10 0 DEAEMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC000187363618 402496235 /nfs/dbraw/zinc/49/62/35/402496235.db2.gz MGTBTHBEOVIWCL-UHFFFAOYSA-N 2 1 304.482 2.156 10 0 DEAEMP CCOCC[N@H+]1CCN(Cc2ncc(C)c(OC)c2C)C[C@H]1C ZINC000246044259 402505520 /nfs/dbraw/zinc/50/55/20/402505520.db2.gz AZDQDFDQSZKMIL-OAHLLOKOSA-N 2 1 321.465 2.250 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000178848096 402546675 /nfs/dbraw/zinc/54/66/75/402546675.db2.gz WTHCJVHLHFHSLE-RHSMWYFYSA-N 2 1 318.465 2.208 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000246179111 402516179 /nfs/dbraw/zinc/51/61/79/402516179.db2.gz LQFGGGRGRLHKPZ-SJORKVTESA-N 2 1 324.513 2.373 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246528035 402535493 /nfs/dbraw/zinc/53/54/93/402535493.db2.gz XRNIFSRYYRNCHE-BBWFWOEESA-N 2 1 324.513 2.373 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246528035 402535494 /nfs/dbraw/zinc/53/54/94/402535494.db2.gz XRNIFSRYYRNCHE-BBWFWOEESA-N 2 1 324.513 2.373 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246528035 402535496 /nfs/dbraw/zinc/53/54/96/402535496.db2.gz XRNIFSRYYRNCHE-BBWFWOEESA-N 2 1 324.513 2.373 10 0 DEAEMP CC(C)[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179227810 402582343 /nfs/dbraw/zinc/58/23/43/402582343.db2.gz GUKPLYCLYQDBNC-PMRDEQMMSA-N 2 1 307.482 2.048 10 0 DEAEMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000190458925 402602458 /nfs/dbraw/zinc/60/24/58/402602458.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 1 319.478 2.139 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC000190458925 402602461 /nfs/dbraw/zinc/60/24/61/402602461.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 1 319.478 2.139 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000190458925 402602464 /nfs/dbraw/zinc/60/24/64/402602464.db2.gz LGJQRXSLFVQDCG-AWEZNQCLSA-N 2 1 319.478 2.139 10 0 DEAEMP CCC[C@H](C)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000180089915 402606967 /nfs/dbraw/zinc/60/69/67/402606967.db2.gz WQMJBMTYURUQPX-ROUUACIJSA-N 2 1 311.514 2.149 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457392 402629969 /nfs/dbraw/zinc/62/99/69/402629969.db2.gz YFOBZLHGKDMQHP-OALUTQOASA-N 2 1 323.525 2.030 10 0 DEAEMP Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)sc1C ZINC000262027539 402721646 /nfs/dbraw/zinc/72/16/46/402721646.db2.gz XECILDNLGXITGR-RRFJBIMHSA-N 2 1 309.479 2.049 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000173327932 402693018 /nfs/dbraw/zinc/69/30/18/402693018.db2.gz LQFGGGRGRLHKPZ-IAGOWNOFSA-N 2 1 324.513 2.373 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262662816 402729596 /nfs/dbraw/zinc/72/95/96/402729596.db2.gz HHGLLMVOTYQRSU-NXOAAHMSSA-N 2 1 307.482 2.097 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263239841 402749184 /nfs/dbraw/zinc/74/91/84/402749184.db2.gz OKQZYRJAQUMYFU-BXKDBHETSA-N 2 1 308.731 2.029 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000184205506 402826477 /nfs/dbraw/zinc/82/64/77/402826477.db2.gz YAJXNHXTJXCUFB-AEFFLSMTSA-N 2 1 324.428 2.323 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000184205506 402826478 /nfs/dbraw/zinc/82/64/78/402826478.db2.gz YAJXNHXTJXCUFB-AEFFLSMTSA-N 2 1 324.428 2.323 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000194148315 402785720 /nfs/dbraw/zinc/78/57/20/402785720.db2.gz DXJABOYYWHRAAD-IRXDYDNUSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000194148315 402785722 /nfs/dbraw/zinc/78/57/22/402785722.db2.gz DXJABOYYWHRAAD-IRXDYDNUSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000194148315 402785723 /nfs/dbraw/zinc/78/57/23/402785723.db2.gz DXJABOYYWHRAAD-IRXDYDNUSA-N 2 1 324.513 2.425 10 0 DEAEMP Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn2cc[nH+]c12 ZINC000333272819 403713431 /nfs/dbraw/zinc/71/34/31/403713431.db2.gz GIQSYOZNGJDMCX-QEJZJMRPSA-N 2 1 313.405 2.234 10 0 DEAEMP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000310078251 403966007 /nfs/dbraw/zinc/96/60/07/403966007.db2.gz HJDMPIFFSVUCQJ-SFHVURJKSA-N 2 1 323.440 2.397 10 0 DEAEMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114014 286461673 /nfs/dbraw/zinc/46/16/73/286461673.db2.gz WRYZZXLSHADQIF-VQIMIIECSA-N 2 1 317.477 2.373 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634941 405028135 /nfs/dbraw/zinc/02/81/35/405028135.db2.gz VOBDJXOZIIUJPS-NEWSRXKRSA-N 3 1 319.493 2.383 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379634941 405028140 /nfs/dbraw/zinc/02/81/40/405028140.db2.gz VOBDJXOZIIUJPS-NEWSRXKRSA-N 3 1 319.493 2.383 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379681897 405029963 /nfs/dbraw/zinc/02/99/63/405029963.db2.gz UOJHLTGIKRIYLI-SZVBFZGTSA-N 2 1 315.461 2.298 10 0 DEAEMP C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396322384 405057434 /nfs/dbraw/zinc/05/74/34/405057434.db2.gz MGAZRJOZORBWJM-FUHWJXTLSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396322384 405057440 /nfs/dbraw/zinc/05/74/40/405057440.db2.gz MGAZRJOZORBWJM-FUHWJXTLSA-N 2 1 315.461 2.252 10 0 DEAEMP CC(C)[C@@H]1CN(C(=O)CC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000638513414 405519994 /nfs/dbraw/zinc/51/99/94/405519994.db2.gz KXXMFQXLKVYONL-KRWDZBQOSA-N 2 1 315.461 2.237 10 0 DEAEMP COC[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468026 405624584 /nfs/dbraw/zinc/62/45/84/405624584.db2.gz KUWHEGFBGXZEIT-FCGDIQPGSA-N 2 1 318.461 2.169 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000525300976 406483498 /nfs/dbraw/zinc/48/34/98/406483498.db2.gz SKBIENCFDCAYIC-QGZVFWFLSA-N 2 1 324.513 2.138 10 0 DEAEMP O=C(CCC1C[NH2+]C1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638080006 406558492 /nfs/dbraw/zinc/55/84/92/406558492.db2.gz KMZRTSNMFRBLTH-GOSISDBHSA-N 2 1 315.461 2.014 10 0 DEAEMP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)[C@H](C)C1 ZINC000553329397 406751135 /nfs/dbraw/zinc/75/11/35/406751135.db2.gz HERAPKWRKANTGY-KGLIPLIRSA-N 2 1 318.465 2.191 10 0 DEAEMP c1ccc(-c2noc(CC[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000577513775 406841069 /nfs/dbraw/zinc/84/10/69/406841069.db2.gz XTRYGZSAKZMFJQ-GOSISDBHSA-N 2 1 312.417 2.355 10 0 DEAEMP C[C@H](CC[S@](C)=O)[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000129859707 196080314 /nfs/dbraw/zinc/08/03/14/196080314.db2.gz ZZRRDZOOFLJNFR-PTSWNOGYSA-N 2 1 300.512 2.388 10 0 DEAEMP C[C@H](CC[S@](C)=O)[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000129859707 196080316 /nfs/dbraw/zinc/08/03/16/196080316.db2.gz ZZRRDZOOFLJNFR-PTSWNOGYSA-N 2 1 300.512 2.388 10 0 DEAEMP [NH3+]C1CC[NH+]([C@@H]2CCN(c3nc4ccccc4s3)C2)CC1 ZINC000130847333 196115235 /nfs/dbraw/zinc/11/52/35/196115235.db2.gz LVGAWECRECICNN-CYBMUJFWSA-N 2 1 302.447 2.298 10 0 DEAEMP [NH3+]C1CC[NH+]([C@H]2CCN(c3snc4ccccc43)C2)CC1 ZINC000130864699 196117500 /nfs/dbraw/zinc/11/75/00/196117500.db2.gz LGLXUDNBKFYOBH-ZDUSSCGKSA-N 2 1 302.447 2.298 10 0 DEAEMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000195127650 424880136 /nfs/dbraw/zinc/88/01/36/424880136.db2.gz NRJCZQXYRKQZQP-DLBZAZTESA-N 2 1 324.513 2.136 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762963 424910659 /nfs/dbraw/zinc/91/06/59/424910659.db2.gz NATGOTAMMLDCFQ-MSOLQXFVSA-N 2 1 317.477 2.340 10 0 DEAEMP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390775605 424917746 /nfs/dbraw/zinc/91/77/46/424917746.db2.gz MRIDKQYILKLNCK-RDJZCZTQSA-N 2 1 303.450 2.013 10 0 DEAEMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000653201993 425433249 /nfs/dbraw/zinc/43/32/49/425433249.db2.gz CYBVNEGOVQDBJR-BVIKNXMNSA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665579 269112317 /nfs/dbraw/zinc/11/23/17/269112317.db2.gz HCSFTDJSTUCGIS-ZIAGYGMSSA-N 2 1 322.453 2.198 10 0 DEAEMP C(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000343703234 275392097 /nfs/dbraw/zinc/39/20/97/275392097.db2.gz GLJQHRCFRKYCHN-RDGPPVDQSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703234 275392098 /nfs/dbraw/zinc/39/20/98/275392098.db2.gz GLJQHRCFRKYCHN-RDGPPVDQSA-N 2 1 322.493 2.378 10 0 DEAEMP C(C[NH+]1CCC[C@H]2COCC[C@@H]21)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000343703234 275392099 /nfs/dbraw/zinc/39/20/99/275392099.db2.gz GLJQHRCFRKYCHN-RDGPPVDQSA-N 2 1 322.493 2.378 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000186480984 277169023 /nfs/dbraw/zinc/16/90/23/277169023.db2.gz BIGVVKWXBXGFOX-ROUUACIJSA-N 2 1 309.413 2.321 10 0 DEAEMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000246856390 278040925 /nfs/dbraw/zinc/04/09/25/278040925.db2.gz BSKJYOFOTSVNAH-SJXGUFTOSA-N 2 1 304.434 2.317 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000173905664 279328854 /nfs/dbraw/zinc/32/88/54/279328854.db2.gz QFKJAFPKKRZTSO-KRWDZBQOSA-N 2 1 324.513 2.377 10 0 DEAEMP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086784 281241830 /nfs/dbraw/zinc/24/18/30/281241830.db2.gz ULOVINYMXBVUDK-MAUKXSAKSA-N 2 1 316.449 2.040 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000133334750 282013967 /nfs/dbraw/zinc/01/39/67/282013967.db2.gz RXOYUHLSFNNRNJ-QGZVFWFLSA-N 2 1 324.513 2.279 10 0 DEAEMP C[C@@]1(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033348 289163574 /nfs/dbraw/zinc/16/35/74/289163574.db2.gz OGGWFLLRUZPKRC-CRAIPNDOSA-N 2 1 302.466 2.398 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246272242 525379380 /nfs/dbraw/zinc/37/93/80/525379380.db2.gz LVRIWKWSYMZJSY-FZKCQIBNSA-N 2 1 309.498 2.377 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237624542 527401382 /nfs/dbraw/zinc/40/13/82/527401382.db2.gz XIAPVLXLMBOKSI-JYJNAYRXSA-N 2 1 304.438 2.009 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448281082 528221548 /nfs/dbraw/zinc/22/15/48/528221548.db2.gz KWUVHZUJOBUMAC-BPQIPLTHSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281082 528221552 /nfs/dbraw/zinc/22/15/52/528221552.db2.gz KWUVHZUJOBUMAC-BPQIPLTHSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448281082 528221554 /nfs/dbraw/zinc/22/15/54/528221554.db2.gz KWUVHZUJOBUMAC-BPQIPLTHSA-N 2 1 319.493 2.336 10 0 DEAEMP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000262019305 535488163 /nfs/dbraw/zinc/48/81/63/535488163.db2.gz WLGMLZUXDNTTEY-BRWVUGGUSA-N 2 1 310.482 2.330 10 0 DEAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000262029125 536897503 /nfs/dbraw/zinc/89/75/03/536897503.db2.gz XJJUJHRNMRGYCA-FVQBIDKESA-N 2 1 308.397 2.081 10 0 DEAEMP C[C@]1(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000309943775 625288007 /nfs/dbraw/zinc/28/80/07/625288007.db2.gz CEWXYHAZOKZWEF-ZCNNSNEGSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000309943775 625288014 /nfs/dbraw/zinc/28/80/14/625288014.db2.gz CEWXYHAZOKZWEF-ZCNNSNEGSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000309943775 625288023 /nfs/dbraw/zinc/28/80/23/625288023.db2.gz CEWXYHAZOKZWEF-ZCNNSNEGSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000309943775 625288030 /nfs/dbraw/zinc/28/80/30/625288030.db2.gz CEWXYHAZOKZWEF-ZCNNSNEGSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]C1 ZINC000309943775 625288033 /nfs/dbraw/zinc/28/80/33/625288033.db2.gz CEWXYHAZOKZWEF-ZCNNSNEGSA-N 3 1 313.489 2.440 10 0 DEAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(C)c3)C2)[C@@H]1C(C)C ZINC000888097456 635540780 /nfs/dbraw/zinc/54/07/80/635540780.db2.gz JEWSXVDTOUCYCN-YRXWBPOGSA-N 2 1 317.477 2.349 10 0 DEAEMP COC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620179 792978714 /nfs/dbraw/zinc/97/87/14/792978714.db2.gz LNHVSFNVXGAUHL-RDGPPVDQSA-N 2 1 318.461 2.027 10 0 DEAEMP [NH3+]C[C@](O)(C[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088439789 185250812 /nfs/dbraw/zinc/25/08/12/185250812.db2.gz LXRSRPLSAMJSJW-AWEZNQCLSA-N 2 1 302.340 2.107 10 0 DEAEMP C[NH2+][C@@H](C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149573026 186050753 /nfs/dbraw/zinc/05/07/53/186050753.db2.gz VEPAZTZUGDKJFR-ZFWWWQNUSA-N 2 1 311.857 2.245 10 0 DEAEMP CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@@H]1C[N@@H+](C)CCN1C 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2.170 10 0 DEAEMP CCC(CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000073431484 191316833 /nfs/dbraw/zinc/31/68/33/191316833.db2.gz KETBENFOUSJIKA-INIZCTEOSA-N 2 1 312.502 2.233 10 0 DEAEMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)C[NH3+] ZINC000404312071 540144917 /nfs/dbraw/zinc/14/49/17/540144917.db2.gz LXFCGJSHCVOSFX-ARFHVFGLSA-N 2 1 317.477 2.481 10 0 DEAEMP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404366942 540146410 /nfs/dbraw/zinc/14/64/10/540146410.db2.gz PRWNVOLUPMYGRH-BZUAXINKSA-N 2 1 315.461 2.378 10 0 DEAEMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000607671309 361103650 /nfs/dbraw/zinc/10/36/50/361103650.db2.gz DDUZNMSMGSXPRH-OFQRWUPVSA-N 2 1 321.490 2.199 10 0 DEAEMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000607671309 361103652 /nfs/dbraw/zinc/10/36/52/361103652.db2.gz DDUZNMSMGSXPRH-OFQRWUPVSA-N 2 1 321.490 2.199 10 0 DEAEMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000607671309 361103655 /nfs/dbraw/zinc/10/36/55/361103655.db2.gz DDUZNMSMGSXPRH-OFQRWUPVSA-N 2 1 321.490 2.199 10 0 DEAEMP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188508 365325688 /nfs/dbraw/zinc/32/56/88/365325688.db2.gz RXXORPHGUVXCFS-RBUKOAKNSA-N 2 1 321.509 2.236 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1csc(Br)c1 ZINC000629571748 367256372 /nfs/dbraw/zinc/25/63/72/367256372.db2.gz PXWJSFGFFVGUCW-UHFFFAOYSA-N 2 1 307.257 2.178 10 0 DEAEMP CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450677481 242091703 /nfs/dbraw/zinc/09/17/03/242091703.db2.gz GNXKDXNTANDOHB-SJKOYZFVSA-N 2 1 301.390 2.171 10 0 DEAEMP CCC[NH2+][C@]1(CO)CC[C@@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857097 193319984 /nfs/dbraw/zinc/31/99/84/193319984.db2.gz ZYICVWIUZJKNEX-IAGOWNOFSA-N 2 1 300.487 2.407 10 0 DEAEMP CC(C)(C)c1csc(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000094256926 193355680 /nfs/dbraw/zinc/35/56/80/193355680.db2.gz SFEZDEXUHQRZQA-AGIUHOORSA-N 2 1 309.479 2.174 10 0 DEAEMP CC(C)(C)c1csc(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000094256926 193355682 /nfs/dbraw/zinc/35/56/82/193355682.db2.gz SFEZDEXUHQRZQA-AGIUHOORSA-N 2 1 309.479 2.174 10 0 DEAEMP [NH3+]CC1(N2CC[N@H+]3CCC[C@@H]3C2)CCC(C(F)(F)F)CC1 ZINC000094458986 193371655 /nfs/dbraw/zinc/37/16/55/193371655.db2.gz JMRZPBLRMUUBOX-ROKHWSDSSA-N 2 1 305.388 2.216 10 0 DEAEMP Cc1ccc([C@@H](C)[N@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508131 183085137 /nfs/dbraw/zinc/08/51/37/183085137.db2.gz CLJKQGIHZHGMPA-ZIAGYGMSSA-N 2 1 307.463 2.014 10 0 DEAEMP C[C@@H](C[NH3+])N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110460714 194332082 /nfs/dbraw/zinc/33/20/82/194332082.db2.gz KACDAEIQTYONEW-LBPRGKRZSA-N 2 1 301.356 2.170 10 0 DEAEMP CSc1ccccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110650090 194346500 /nfs/dbraw/zinc/34/65/00/194346500.db2.gz UPQHHUPOUQVXNA-GFCCVEGCSA-N 2 1 307.463 2.406 10 0 DEAEMP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2cccs2)[C@H]2CCCO[C@@H]12 ZINC000247993380 257112803 /nfs/dbraw/zinc/11/28/03/257112803.db2.gz LYIREKBECXNWIY-ARFHVFGLSA-N 2 1 310.463 2.058 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246683597 145111009 /nfs/dbraw/zinc/11/10/09/145111009.db2.gz JYFPMZPCCGXBHU-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246683597 145111010 /nfs/dbraw/zinc/11/10/10/145111010.db2.gz JYFPMZPCCGXBHU-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246683597 145111013 /nfs/dbraw/zinc/11/10/13/145111013.db2.gz JYFPMZPCCGXBHU-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000246881201 145117640 /nfs/dbraw/zinc/11/76/40/145117640.db2.gz DPLLVNGNUNEISV-ZOBUZTSGSA-N 2 1 318.465 2.445 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000246881201 145117643 /nfs/dbraw/zinc/11/76/43/145117643.db2.gz DPLLVNGNUNEISV-ZOBUZTSGSA-N 2 1 318.465 2.445 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000247109000 145126392 /nfs/dbraw/zinc/12/63/92/145126392.db2.gz YIFDHXMQHBUOAN-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000247109000 145126393 /nfs/dbraw/zinc/12/63/93/145126393.db2.gz YIFDHXMQHBUOAN-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247109000 145126394 /nfs/dbraw/zinc/12/63/94/145126394.db2.gz YIFDHXMQHBUOAN-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247109000 145126395 /nfs/dbraw/zinc/12/63/95/145126395.db2.gz YIFDHXMQHBUOAN-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247396424 145135877 /nfs/dbraw/zinc/13/58/77/145135877.db2.gz HESZLPJQCNEEPK-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP C[C@H]1CCC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247396424 145135881 /nfs/dbraw/zinc/13/58/81/145135881.db2.gz HESZLPJQCNEEPK-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP C[C@H]1CCC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247396424 145135882 /nfs/dbraw/zinc/13/58/82/145135882.db2.gz HESZLPJQCNEEPK-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](CC)[NH+]2CCCC2)C12CCOCC2 ZINC000248921563 145173758 /nfs/dbraw/zinc/17/37/58/145173758.db2.gz FDZPCJXFDFZXEN-BRWVUGGUSA-N 2 1 310.482 2.425 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000249291208 145182297 /nfs/dbraw/zinc/18/22/97/145182297.db2.gz MKTBBXLYOJNYQH-OLZOCXBDSA-N 2 1 317.355 2.437 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549652 145206859 /nfs/dbraw/zinc/20/68/59/145206859.db2.gz OWWSGCVNTPQTPM-WCIQWLHISA-N 3 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549652 145206861 /nfs/dbraw/zinc/20/68/61/145206861.db2.gz OWWSGCVNTPQTPM-WCIQWLHISA-N 2 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549652 145206863 /nfs/dbraw/zinc/20/68/63/145206863.db2.gz OWWSGCVNTPQTPM-WCIQWLHISA-N 2 1 313.489 2.486 10 0 DEAEMP CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261549216 145206884 /nfs/dbraw/zinc/20/68/84/145206884.db2.gz OJPNJORIIPNBLE-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550897 145207290 /nfs/dbraw/zinc/20/72/90/145207290.db2.gz PXDNIBWVWWABJR-AEFFLSMTSA-N 2 1 315.461 2.109 10 0 DEAEMP COCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261680707 145216401 /nfs/dbraw/zinc/21/64/01/145216401.db2.gz GXYKBPOXIBCEBE-QGZVFWFLSA-N 2 1 322.449 2.280 10 0 DEAEMP COCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261680707 145216403 /nfs/dbraw/zinc/21/64/03/145216403.db2.gz GXYKBPOXIBCEBE-QGZVFWFLSA-N 2 1 322.449 2.280 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1 ZINC000261900509 145239087 /nfs/dbraw/zinc/23/90/87/145239087.db2.gz HQGMWSFMLBLAHE-BZZMCLGOSA-N 2 1 304.434 2.201 10 0 DEAEMP C1C[C@@H]([C@H]2COCC[NH2+]2)[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000261941056 145245024 /nfs/dbraw/zinc/24/50/24/145245024.db2.gz MVLJIHTXXMZCKR-FGTMMUONSA-N 2 1 322.493 2.473 10 0 DEAEMP Clc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261975756 145248924 /nfs/dbraw/zinc/24/89/24/145248924.db2.gz RCCQBNXYKJPPND-GVDBMIGSSA-N 2 1 324.852 2.466 10 0 DEAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000262013179 145252685 /nfs/dbraw/zinc/25/26/85/145252685.db2.gz VSWIUBGRCJMOJT-AITUJVMLSA-N 2 1 315.461 2.012 10 0 DEAEMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000262660682 145298426 /nfs/dbraw/zinc/29/84/26/145298426.db2.gz LPCAGVGIGCGZAH-UHFFFAOYSA-N 2 1 312.417 2.351 10 0 DEAEMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000262660682 145298428 /nfs/dbraw/zinc/29/84/28/145298428.db2.gz LPCAGVGIGCGZAH-UHFFFAOYSA-N 2 1 312.417 2.351 10 0 DEAEMP COC(C)(C)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000346529172 146097632 /nfs/dbraw/zinc/09/76/32/146097632.db2.gz JSEWDGBUYDOUDW-IBGZPJMESA-N 2 1 320.477 2.370 10 0 DEAEMP COC(C)(C)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000346529172 146097633 /nfs/dbraw/zinc/09/76/33/146097633.db2.gz JSEWDGBUYDOUDW-IBGZPJMESA-N 2 1 320.477 2.370 10 0 DEAEMP COC(C)(C)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346529172 146097634 /nfs/dbraw/zinc/09/76/34/146097634.db2.gz JSEWDGBUYDOUDW-IBGZPJMESA-N 2 1 320.477 2.370 10 0 DEAEMP COC(C)(C)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346529172 146097635 /nfs/dbraw/zinc/09/76/35/146097635.db2.gz JSEWDGBUYDOUDW-IBGZPJMESA-N 2 1 320.477 2.370 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CC=C(C)CC2)C[C@H]1C ZINC000358648678 147173388 /nfs/dbraw/zinc/17/33/88/147173388.db2.gz MSBDCVWUUWGYTM-SJORKVTESA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@H]1C ZINC000358648678 147173390 /nfs/dbraw/zinc/17/33/90/147173390.db2.gz MSBDCVWUUWGYTM-SJORKVTESA-N 2 1 322.497 2.153 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@H]1C ZINC000358648678 147173391 /nfs/dbraw/zinc/17/33/91/147173391.db2.gz MSBDCVWUUWGYTM-SJORKVTESA-N 2 1 322.497 2.153 10 0 DEAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073665115 401719993 /nfs/dbraw/zinc/71/99/93/401719993.db2.gz HUIRHHZJERWGPV-XYTVBORESA-N 2 1 322.497 2.175 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC000135123569 401927539 /nfs/dbraw/zinc/92/75/39/401927539.db2.gz RUZAHURDSDOXES-WBVHZDCISA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)CC[N@H+]1C ZINC000135123569 401927541 /nfs/dbraw/zinc/92/75/41/401927541.db2.gz RUZAHURDSDOXES-WBVHZDCISA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CC[NH+]1C ZINC000135123569 401927543 /nfs/dbraw/zinc/92/75/43/401927543.db2.gz RUZAHURDSDOXES-WBVHZDCISA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)CC[NH+]1C ZINC000135123569 401927546 /nfs/dbraw/zinc/92/75/46/401927546.db2.gz RUZAHURDSDOXES-WBVHZDCISA-N 2 1 303.450 2.454 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000080582911 401890986 /nfs/dbraw/zinc/89/09/86/401890986.db2.gz CAZZIPDXUOKWHN-MRXNPFEDSA-N 2 1 324.513 2.282 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000133822817 401895076 /nfs/dbraw/zinc/89/50/76/401895076.db2.gz FYBSMNJMKRZHRA-IRXDYDNUSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000133822817 401895079 /nfs/dbraw/zinc/89/50/79/401895079.db2.gz FYBSMNJMKRZHRA-IRXDYDNUSA-N 2 1 324.513 2.090 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000137111419 401979073 /nfs/dbraw/zinc/97/90/73/401979073.db2.gz LBCIXODEBOHKAJ-IAGOWNOFSA-N 2 1 305.466 2.382 10 0 DEAEMP CCCC(=O)N[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120405020 401989545 /nfs/dbraw/zinc/98/95/45/401989545.db2.gz FUZRPZHGULVKQK-INIZCTEOSA-N 2 1 306.454 2.352 10 0 DEAEMP CCCC(=O)N[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120405020 401989546 /nfs/dbraw/zinc/98/95/46/401989546.db2.gz FUZRPZHGULVKQK-INIZCTEOSA-N 2 1 306.454 2.352 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054764278 402071365 /nfs/dbraw/zinc/07/13/65/402071365.db2.gz DLTNOPBYMZISAU-MRXNPFEDSA-N 2 1 320.481 2.148 10 0 DEAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCCC1 ZINC000176402979 402306595 /nfs/dbraw/zinc/30/65/95/402306595.db2.gz LBBFWLZERSHALM-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176415368 402307201 /nfs/dbraw/zinc/30/72/01/402307201.db2.gz REOXWPFYWXGLRQ-BBWFWOEESA-N 2 1 324.513 2.231 10 0 DEAEMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000163130068 402442500 /nfs/dbraw/zinc/44/25/00/402442500.db2.gz ODIUAMHEVXAQQP-UHFFFAOYSA-N 2 1 314.437 2.338 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246013582 402503953 /nfs/dbraw/zinc/50/39/53/402503953.db2.gz ZVHDNHWBENUSQJ-XHSDSOJGSA-N 2 1 320.481 2.368 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246013582 402503956 /nfs/dbraw/zinc/50/39/56/402503956.db2.gz ZVHDNHWBENUSQJ-XHSDSOJGSA-N 2 1 320.481 2.368 10 0 DEAEMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccn1C ZINC000246078902 402508191 /nfs/dbraw/zinc/50/81/91/402508191.db2.gz UQEYEYZFTTVHQV-YQQAZPJKSA-N 2 1 313.449 2.376 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000246756397 402543891 /nfs/dbraw/zinc/54/38/91/402543891.db2.gz BPXPZWKRLJWZRX-NCOADZHNSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000246756397 402543895 /nfs/dbraw/zinc/54/38/95/402543895.db2.gz BPXPZWKRLJWZRX-NCOADZHNSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000246756397 402543897 /nfs/dbraw/zinc/54/38/97/402543897.db2.gz BPXPZWKRLJWZRX-NCOADZHNSA-N 2 1 324.513 2.135 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178847824 402546538 /nfs/dbraw/zinc/54/65/38/402546538.db2.gz CXKYGYZPSWPXPL-OIISXLGYSA-N 2 1 318.465 2.208 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000178848088 402546825 /nfs/dbraw/zinc/54/68/25/402546825.db2.gz WTHCJVHLHFHSLE-PBHICJAKSA-N 2 1 318.465 2.208 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccco1 ZINC000171192946 402565122 /nfs/dbraw/zinc/56/51/22/402565122.db2.gz URNRDFNZJOIGCO-GJZGRUSLSA-N 2 1 322.453 2.056 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246196238 402518171 /nfs/dbraw/zinc/51/81/71/402518171.db2.gz MSFWFNDQCVGVDA-GVDBMIGSSA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246196238 402518172 /nfs/dbraw/zinc/51/81/72/402518172.db2.gz MSFWFNDQCVGVDA-GVDBMIGSSA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246196238 402518174 /nfs/dbraw/zinc/51/81/74/402518174.db2.gz MSFWFNDQCVGVDA-GVDBMIGSSA-N 2 1 324.513 2.375 10 0 DEAEMP C[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178747354 402533748 /nfs/dbraw/zinc/53/37/48/402533748.db2.gz FWBYSMQQGPQLAA-YOEHRIQHSA-N 2 1 301.434 2.019 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248430548 402590309 /nfs/dbraw/zinc/59/03/09/402590309.db2.gz AXLMHIWOZUMYRE-HOTGVXAUSA-N 2 1 310.486 2.034 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000179517189 402593131 /nfs/dbraw/zinc/59/31/31/402593131.db2.gz PTPGBEDAEOYPAT-AWEZNQCLSA-N 2 1 322.497 2.232 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCCn2cccn2)CC1 ZINC000171589410 402598644 /nfs/dbraw/zinc/59/86/44/402598644.db2.gz PQBVMSWBNJAQKS-KRWDZBQOSA-N 2 1 322.497 2.078 10 0 DEAEMP CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248652329 402601516 /nfs/dbraw/zinc/60/15/16/402601516.db2.gz NSSZJYTYKRQZCS-XYJFISCASA-N 2 1 312.498 2.407 10 0 DEAEMP COC[C@H](C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027203 402706574 /nfs/dbraw/zinc/70/65/74/402706574.db2.gz LOMKUCDRMGTYJP-AEFFLSMTSA-N 2 1 306.450 2.150 10 0 DEAEMP COC[C@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027203 402706576 /nfs/dbraw/zinc/70/65/76/402706576.db2.gz LOMKUCDRMGTYJP-AEFFLSMTSA-N 2 1 306.450 2.150 10 0 DEAEMP C[C@H](CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCCCC1 ZINC000182681336 402708018 /nfs/dbraw/zinc/70/80/18/402708018.db2.gz RDXCYYCSBKBFBL-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccco2)N(C)C)CC[N@H+]1C ZINC000173355398 402694033 /nfs/dbraw/zinc/69/40/33/402694033.db2.gz BWXKWESOHQCYLS-KFWWJZLASA-N 2 1 322.453 2.006 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1C ZINC000173355398 402694037 /nfs/dbraw/zinc/69/40/37/402694037.db2.gz BWXKWESOHQCYLS-KFWWJZLASA-N 2 1 322.453 2.006 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174527248 402745216 /nfs/dbraw/zinc/74/52/16/402745216.db2.gz BVUQGZAQZXJXDB-WBVHZDCISA-N 2 1 324.513 2.375 10 0 DEAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174745669 402755043 /nfs/dbraw/zinc/75/50/43/402755043.db2.gz HCIVTRSFWWNORE-IXDOHACOSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000174745669 402755047 /nfs/dbraw/zinc/75/50/47/402755047.db2.gz HCIVTRSFWWNORE-IXDOHACOSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000174745669 402755049 /nfs/dbraw/zinc/75/50/49/402755049.db2.gz HCIVTRSFWWNORE-IXDOHACOSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192893104 402755445 /nfs/dbraw/zinc/75/54/45/402755445.db2.gz IUVVEARASCPDTC-QRQLOZEOSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192893104 402755447 /nfs/dbraw/zinc/75/54/47/402755447.db2.gz IUVVEARASCPDTC-QRQLOZEOSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193696419 402775470 /nfs/dbraw/zinc/77/54/70/402775470.db2.gz HMESNEZEBNXQPE-OAHLLOKOSA-N 2 1 322.497 2.034 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175773780 402831027 /nfs/dbraw/zinc/83/10/27/402831027.db2.gz OQEHQWSTWHEKFK-GDBMZVCRSA-N 2 1 321.469 2.096 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146276 402785750 /nfs/dbraw/zinc/78/57/50/402785750.db2.gz LSVYGVXAGGDCAF-IXDOHACOSA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146276 402785752 /nfs/dbraw/zinc/78/57/52/402785752.db2.gz LSVYGVXAGGDCAF-IXDOHACOSA-N 2 1 324.513 2.138 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146276 402785754 /nfs/dbraw/zinc/78/57/54/402785754.db2.gz LSVYGVXAGGDCAF-IXDOHACOSA-N 2 1 324.513 2.138 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000309692982 403961687 /nfs/dbraw/zinc/96/16/87/403961687.db2.gz DJTIEQWJMRGRBX-SJORKVTESA-N 2 1 317.477 2.403 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C12CCOCC2 ZINC000249060717 286398706 /nfs/dbraw/zinc/39/87/06/286398706.db2.gz YLJMOLBRIIAEDN-WCXIOVBPSA-N 2 1 310.482 2.281 10 0 DEAEMP COC(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330171 404836796 /nfs/dbraw/zinc/83/67/96/404836796.db2.gz LPTWOIWIJXFRFH-IRXDYDNUSA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330171 404836800 /nfs/dbraw/zinc/83/68/00/404836800.db2.gz LPTWOIWIJXFRFH-IRXDYDNUSA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330171 404836802 /nfs/dbraw/zinc/83/68/02/404836802.db2.gz LPTWOIWIJXFRFH-IRXDYDNUSA-N 2 1 304.434 2.059 10 0 DEAEMP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390717211 405047467 /nfs/dbraw/zinc/04/74/67/405047467.db2.gz CWVWWSXGUPKUIG-ZWKOTPCHSA-N 2 1 315.461 2.157 10 0 DEAEMP c1nc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378957 405338578 /nfs/dbraw/zinc/33/85/78/405338578.db2.gz UURKKIMUMUCYKZ-JKSUJKDBSA-N 2 1 302.466 2.398 10 0 DEAEMP C[C@@H](C[NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852007 405715278 /nfs/dbraw/zinc/71/52/78/405715278.db2.gz SPYIDBHGXNHMKB-RDJZCZTQSA-N 2 1 303.450 2.142 10 0 DEAEMP CC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851754 405715806 /nfs/dbraw/zinc/71/58/06/405715806.db2.gz RQKZHHQPHNPRRN-IRXDYDNUSA-N 2 1 303.450 2.285 10 0 DEAEMP c1[nH+]c([C@@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)n2c1CCCC2 ZINC000634994914 406390666 /nfs/dbraw/zinc/39/06/66/406390666.db2.gz POWSKKMEIXRQCH-SWKXRBFHSA-N 2 1 300.450 2.151 10 0 DEAEMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000554581575 406814975 /nfs/dbraw/zinc/81/49/75/406814975.db2.gz RQNWKSMKMCMYRH-DDBAPUKQSA-N 2 1 315.461 2.248 10 0 DEAEMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N(C)C ZINC000554581575 406814978 /nfs/dbraw/zinc/81/49/78/406814978.db2.gz RQNWKSMKMCMYRH-DDBAPUKQSA-N 2 1 315.461 2.248 10 0 DEAEMP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000130522515 196087810 /nfs/dbraw/zinc/08/78/10/196087810.db2.gz NFTXVFXLDXUYIW-OAHLLOKOSA-N 2 1 307.463 2.082 10 0 DEAEMP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000195260406 424881213 /nfs/dbraw/zinc/88/12/13/424881213.db2.gz HMUFCLPXGPHUJN-UHFFFAOYSA-N 2 1 302.422 2.060 10 0 DEAEMP C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000381042464 424908412 /nfs/dbraw/zinc/90/84/12/424908412.db2.gz DZIOFGZBLOIJDI-IEBWSBKVSA-N 2 1 315.461 2.157 10 0 DEAEMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028394 424912629 /nfs/dbraw/zinc/91/26/29/424912629.db2.gz FAKPXAQLDKFVQP-CVEARBPZSA-N 2 1 302.418 2.422 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028394 424912632 /nfs/dbraw/zinc/91/26/32/424912632.db2.gz FAKPXAQLDKFVQP-CVEARBPZSA-N 2 1 302.418 2.422 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388680651 424914545 /nfs/dbraw/zinc/91/45/45/424914545.db2.gz VLHLGCXZUFCPPX-QZTJIDSGSA-N 2 1 317.477 2.483 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000309821540 424893679 /nfs/dbraw/zinc/89/36/79/424893679.db2.gz POXOVTLPNFHUBC-OOHWJJMZSA-N 2 1 303.450 2.141 10 0 DEAEMP C(C[NH+]1CCC[C@]2(CCOC2)C1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910380 269141041 /nfs/dbraw/zinc/14/10/41/269141041.db2.gz NEIFBNGFIZBWDS-OALUTQOASA-N 2 1 322.493 2.382 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262041473 274372433 /nfs/dbraw/zinc/37/24/33/274372433.db2.gz BYHLWYRMMOBOMR-OIISXLGYSA-N 2 1 301.434 2.162 10 0 DEAEMP c1ccc2c(c1)CC[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)C2 ZINC000415061967 275070044 /nfs/dbraw/zinc/07/00/44/275070044.db2.gz ZNDVHPAGIQKCPU-GPJFCIFZSA-N 2 1 313.489 2.350 10 0 DEAEMP C[NH2+]CCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178845655 277266555 /nfs/dbraw/zinc/26/65/55/277266555.db2.gz QLHQSSPVDRNQJO-CYBMUJFWSA-N 2 1 300.406 2.358 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236493 278394983 /nfs/dbraw/zinc/39/49/83/278394983.db2.gz UNMCMFIAHYSOFQ-MRXNPFEDSA-N 2 1 318.461 2.284 10 0 DEAEMP C[C@H](C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000261737740 279209523 /nfs/dbraw/zinc/20/95/23/279209523.db2.gz NQEHMCIDXFYYSS-MXSMSXNCSA-N 2 1 315.461 2.408 10 0 DEAEMP CCn1cnnc1C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000163309131 523581274 /nfs/dbraw/zinc/58/12/74/523581274.db2.gz FFGJDGNYYJHIEW-UHFFFAOYSA-N 2 1 316.453 2.463 10 0 DEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000249032407 534958424 /nfs/dbraw/zinc/95/84/24/534958424.db2.gz STNRJEWECLGBEN-BRWVUGGUSA-N 2 1 310.482 2.282 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262678356 535139041 /nfs/dbraw/zinc/13/90/41/535139041.db2.gz URCJTKWSGVGMJM-NCOADZHNSA-N 2 1 307.482 2.001 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H](C)C1 ZINC000246916477 535768673 /nfs/dbraw/zinc/76/86/73/535768673.db2.gz GMXJKLCXDIAOMF-YOEHRIQHSA-N 2 1 319.449 2.204 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190533888 536358390 /nfs/dbraw/zinc/35/83/90/536358390.db2.gz QHQVUJSGEBSKFQ-RBUKOAKNSA-N 2 1 323.525 2.030 10 0 DEAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178877409 636471150 /nfs/dbraw/zinc/47/11/50/636471150.db2.gz OAKWUKQOIVPLQE-WMLDXEAASA-N 2 1 318.465 2.140 10 0 DEAEMP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000173353190 646766942 /nfs/dbraw/zinc/76/69/42/646766942.db2.gz DLAKKMYLMARCKK-QGZVFWFLSA-N 2 1 307.482 2.400 10 0 DEAEMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261925643 647142098 /nfs/dbraw/zinc/14/20/98/647142098.db2.gz LAYJDHCWZNVYTB-BSDSXHPESA-N 2 1 304.434 2.121 10 0 DEAEMP CC(C)OC[C@@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000381767836 685401811 /nfs/dbraw/zinc/40/18/11/685401811.db2.gz PDPDPRQRNMROIQ-OALUTQOASA-N 2 1 320.477 2.274 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382771006 685405365 /nfs/dbraw/zinc/40/53/65/685405365.db2.gz LISGYUNEHTWNJW-QRQLOZEOSA-N 2 1 301.478 2.296 10 0 DEAEMP O[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638699 792982698 /nfs/dbraw/zinc/98/26/98/792982698.db2.gz PUYHTDDGTYRZBK-VPAKFMSCSA-N 2 1 300.446 2.400 10 0 DEAEMP c1nc(N2CCCC2)ncc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000075801856 1080255792 /nfs/dbraw/zinc/25/57/92/1080255792.db2.gz HMTQJOGZQGCBEI-UHFFFAOYSA-N 2 1 303.454 2.042 10 0 DEAEMP [NH3+]C[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000720843585 1086289525 /nfs/dbraw/zinc/28/95/25/1086289525.db2.gz IPKRCLOVFDJUBC-IUCAKERBSA-N 2 1 308.266 2.024 10 0 DEAEMP CCC[N@H+]1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710914540 1086690507 /nfs/dbraw/zinc/69/05/07/1086690507.db2.gz PPEUGODTVKWANR-AWEZNQCLSA-N 2 1 311.470 2.175 10 0 DEAEMP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000087526073 185227753 /nfs/dbraw/zinc/22/77/53/185227753.db2.gz OHNQCSNGUGXRMX-OAHLLOKOSA-N 2 1 309.479 2.013 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@@H]21 ZINC000333580343 282963097 /nfs/dbraw/zinc/96/30/97/282963097.db2.gz UDMZKEKVZWHMBJ-SOUVJXGZSA-N 2 1 301.438 2.031 10 0 DEAEMP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc(C)n1 ZINC000186558503 539676149 /nfs/dbraw/zinc/67/61/49/539676149.db2.gz UGSVUYAQCKJPPC-QGZVFWFLSA-N 2 1 311.433 2.447 10 0 DEAEMP Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C)[nH+]1 ZINC000186558503 539676153 /nfs/dbraw/zinc/67/61/53/539676153.db2.gz UGSVUYAQCKJPPC-QGZVFWFLSA-N 2 1 311.433 2.447 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000066243139 354705915 /nfs/dbraw/zinc/70/59/15/354705915.db2.gz XPMBXCLYGCPGCJ-OAHLLOKOSA-N 2 1 300.450 2.500 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000132415248 283059588 /nfs/dbraw/zinc/05/95/88/283059588.db2.gz KMWDQEHRGAQEDT-YESZJQIVSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132415248 283059592 /nfs/dbraw/zinc/05/95/92/283059592.db2.gz KMWDQEHRGAQEDT-YESZJQIVSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000132415248 283059595 /nfs/dbraw/zinc/05/95/95/283059595.db2.gz KMWDQEHRGAQEDT-YESZJQIVSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390959614 540136120 /nfs/dbraw/zinc/13/61/20/540136120.db2.gz XXXCNMHLPFWVLU-AYHJJNSGSA-N 2 1 315.461 2.296 10 0 DEAEMP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179152422 356015886 /nfs/dbraw/zinc/01/58/86/356015886.db2.gz VGZVNMNPEHEAOQ-IAGOWNOFSA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179152422 356015895 /nfs/dbraw/zinc/01/58/95/356015895.db2.gz VGZVNMNPEHEAOQ-IAGOWNOFSA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179152422 356015901 /nfs/dbraw/zinc/01/59/01/356015901.db2.gz VGZVNMNPEHEAOQ-IAGOWNOFSA-N 2 1 318.465 2.071 10 0 DEAEMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825274 357036149 /nfs/dbraw/zinc/03/61/49/357036149.db2.gz UGWJFGXFWRMWFW-OMWUSAIZSA-N 2 1 324.428 2.113 10 0 DEAEMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457673 357726074 /nfs/dbraw/zinc/72/60/74/357726074.db2.gz FRGYBTYSZYZVTI-DLBZAZTESA-N 2 1 307.482 2.053 10 0 DEAEMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623897629 365213126 /nfs/dbraw/zinc/21/31/26/365213126.db2.gz QJVXBCKFNJLLPU-YTQUADARSA-N 2 1 318.461 2.171 10 0 DEAEMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623897629 365213133 /nfs/dbraw/zinc/21/31/33/365213133.db2.gz QJVXBCKFNJLLPU-YTQUADARSA-N 2 1 318.461 2.171 10 0 DEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cc(Br)cs1 ZINC000091313914 193038338 /nfs/dbraw/zinc/03/83/38/193038338.db2.gz UATRXDXSHOLMKU-LLVKDONJSA-N 2 1 319.268 2.321 10 0 DEAEMP Nc1[nH+]c2cccc(Cl)c2n1C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091675121 193089351 /nfs/dbraw/zinc/08/93/51/193089351.db2.gz HQVBRXYZCCSKQJ-GHMZBOCLSA-N 2 1 306.797 2.135 10 0 DEAEMP C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721137 193097392 /nfs/dbraw/zinc/09/73/92/193097392.db2.gz FGQCVSZVHSWPTH-LYRGGWFBSA-N 2 1 312.816 2.473 10 0 DEAEMP C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721137 193097394 /nfs/dbraw/zinc/09/73/94/193097394.db2.gz FGQCVSZVHSWPTH-LYRGGWFBSA-N 2 1 312.816 2.473 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)cc1C ZINC000629572541 367256801 /nfs/dbraw/zinc/25/68/01/367256801.db2.gz WMEGHUMVFZGNNK-UHFFFAOYSA-N 2 1 315.255 2.425 10 0 DEAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC000093142045 193206902 /nfs/dbraw/zinc/20/69/02/193206902.db2.gz VMIQKEIRWRVPQU-UHFFFAOYSA-N 2 1 309.498 2.299 10 0 DEAEMP CC(C)[NH2+]Cc1nc(CN2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000094443432 193369340 /nfs/dbraw/zinc/36/93/40/193369340.db2.gz UNTZVTVEXAVFCD-OAHLLOKOSA-N 2 1 308.495 2.311 10 0 DEAEMP [NH3+]C[C@H](c1cccc(Br)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457556 193371832 /nfs/dbraw/zinc/37/18/32/193371832.db2.gz FWMFXYVJHURSTJ-HUUCEWRRSA-N 2 1 324.266 2.229 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000105852818 194146906 /nfs/dbraw/zinc/14/69/06/194146906.db2.gz GVAUMRZHBWMOMV-HZPDHXFCSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000105852818 194146907 /nfs/dbraw/zinc/14/69/07/194146907.db2.gz GVAUMRZHBWMOMV-HZPDHXFCSA-N 2 1 318.465 2.483 10 0 DEAEMP C[NH+](C)[C@H]1CCN(c2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000110278277 194319582 /nfs/dbraw/zinc/31/95/82/194319582.db2.gz DHEAYHUYPJGCJT-NSHDSACASA-N 2 1 300.431 2.009 10 0 DEAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CCOC(C)C)[NH2+]C ZINC000157499104 197191818 /nfs/dbraw/zinc/19/18/18/197191818.db2.gz XAZSMUVQYASELH-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP [NH3+]C[C@]1(N2CC[NH+](Cc3ccccc3)CC2)CCCSC1 ZINC000061589917 184175842 /nfs/dbraw/zinc/17/58/42/184175842.db2.gz OZQLGOUGWHJFDD-QGZVFWFLSA-N 2 1 305.491 2.029 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000119925584 195063543 /nfs/dbraw/zinc/06/35/43/195063543.db2.gz VJOKCVRAONPSSX-MGPQQGTHSA-N 2 1 308.857 2.386 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000119925584 195063545 /nfs/dbraw/zinc/06/35/45/195063545.db2.gz VJOKCVRAONPSSX-MGPQQGTHSA-N 2 1 308.857 2.386 10 0 DEAEMP CCOC(=O)[C@](C)(CCCC[N@H+](C)CCOC(C)C)[NH2+]C ZINC000157499104 197191817 /nfs/dbraw/zinc/19/18/17/197191817.db2.gz XAZSMUVQYASELH-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107838133 285229861 /nfs/dbraw/zinc/22/98/61/285229861.db2.gz IOGDMYSUGLURDD-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP c1csc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCCC4)[C@@H]3C2)n1 ZINC000253596893 257105106 /nfs/dbraw/zinc/10/51/06/257105106.db2.gz XOCSTEMIRIMBGK-KFWWJZLASA-N 2 1 307.463 2.076 10 0 DEAEMP c1csc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCCC4)[C@@H]3C2)n1 ZINC000253596893 257105108 /nfs/dbraw/zinc/10/51/08/257105108.db2.gz XOCSTEMIRIMBGK-KFWWJZLASA-N 2 1 307.463 2.076 10 0 DEAEMP CC(=O)N1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C(C)(C)C1 ZINC000355363487 133021338 /nfs/dbraw/zinc/02/13/38/133021338.db2.gz HRQQBXIHCANJCP-UHFFFAOYSA-N 2 1 318.446 2.377 10 0 DEAEMP CC(=O)N1CCN(Cc2cc(-n3ccnc3)cs2)C(C)(C)C1 ZINC000355363487 133021339 /nfs/dbraw/zinc/02/13/39/133021339.db2.gz HRQQBXIHCANJCP-UHFFFAOYSA-N 2 1 318.446 2.377 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)[C@@H](C)C1 ZINC000246292091 145097420 /nfs/dbraw/zinc/09/74/20/145097420.db2.gz CJLKGSWBWAUASG-UONOGXRCSA-N 2 1 309.479 2.188 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246393435 145101205 /nfs/dbraw/zinc/10/12/05/145101205.db2.gz WAIIIIMADSEUJS-RDJZCZTQSA-N 2 1 305.466 2.006 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246574384 145107136 /nfs/dbraw/zinc/10/71/36/145107136.db2.gz ZMLZDGBEWVUJJX-BBWFWOEESA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000246574384 145107137 /nfs/dbraw/zinc/10/71/37/145107137.db2.gz ZMLZDGBEWVUJJX-BBWFWOEESA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000246574384 145107138 /nfs/dbraw/zinc/10/71/38/145107138.db2.gz ZMLZDGBEWVUJJX-BBWFWOEESA-N 2 1 322.497 2.127 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000246734541 145112464 /nfs/dbraw/zinc/11/24/64/145112464.db2.gz ARVFPCKMENNHTQ-JKSUJKDBSA-N 2 1 324.513 2.279 10 0 DEAEMP Cn1c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000261642457 145213171 /nfs/dbraw/zinc/21/31/71/145213171.db2.gz AKSLMIVUHWDFQP-IHRRRGAJSA-N 2 1 317.458 2.159 10 0 DEAEMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683096 145216165 /nfs/dbraw/zinc/21/61/65/145216165.db2.gz KBQNGWVPUXMMCI-XJKSGUPXSA-N 2 1 320.433 2.186 10 0 DEAEMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683096 145216166 /nfs/dbraw/zinc/21/61/66/145216166.db2.gz KBQNGWVPUXMMCI-XJKSGUPXSA-N 2 1 320.433 2.186 10 0 DEAEMP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261884036 145237715 /nfs/dbraw/zinc/23/77/15/145237715.db2.gz RMBPNZRELVVZHX-YJBOKZPZSA-N 2 1 304.434 2.297 10 0 DEAEMP COc1ccc(C[N@H+]2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261893523 145238310 /nfs/dbraw/zinc/23/83/10/145238310.db2.gz UHZNTVKMBHUUKM-IBGZPJMESA-N 2 1 317.477 2.203 10 0 DEAEMP COc1ccc(CN2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261893523 145238314 /nfs/dbraw/zinc/23/83/14/145238314.db2.gz UHZNTVKMBHUUKM-IBGZPJMESA-N 2 1 317.477 2.203 10 0 DEAEMP CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261912196 145241098 /nfs/dbraw/zinc/24/10/98/145241098.db2.gz JEGINAMEVGPXIB-KURKYZTESA-N 2 1 304.434 2.332 10 0 DEAEMP Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261920655 145241490 /nfs/dbraw/zinc/24/14/90/145241490.db2.gz KGEUCMOCEBBGES-KSZLIROESA-N 2 1 304.434 2.121 10 0 DEAEMP C[C@]1(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)CC[NH2+]C1 ZINC000261925481 145242596 /nfs/dbraw/zinc/24/25/96/145242596.db2.gz CBKFKIOWRZOELP-SFHVURJKSA-N 2 1 311.433 2.231 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C12CCCC2 ZINC000262017818 145253838 /nfs/dbraw/zinc/25/38/38/145253838.db2.gz WIILEQGQYQIVBS-FLXSYLCISA-N 2 1 322.493 2.471 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH2+]C2CCCCC2)CC1 ZINC000358668229 147177462 /nfs/dbraw/zinc/17/74/62/147177462.db2.gz QEDZHMADZBYGAP-UHFFFAOYSA-N 2 1 322.497 2.250 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128322882 401771543 /nfs/dbraw/zinc/77/15/43/401771543.db2.gz VANRCMDQGHKDBD-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000113600765 401783077 /nfs/dbraw/zinc/78/30/77/401783077.db2.gz DCIRCPMFZXKLSU-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000113600765 401783078 /nfs/dbraw/zinc/78/30/78/401783078.db2.gz DCIRCPMFZXKLSU-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000113600765 401783081 /nfs/dbraw/zinc/78/30/81/401783081.db2.gz DCIRCPMFZXKLSU-HZPDHXFCSA-N 2 1 310.486 2.034 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC000130816869 401839505 /nfs/dbraw/zinc/83/95/05/401839505.db2.gz VLLZPCYCMSJDIN-QGZVFWFLSA-N 2 1 317.433 2.262 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC000130816869 401839506 /nfs/dbraw/zinc/83/95/06/401839506.db2.gz VLLZPCYCMSJDIN-QGZVFWFLSA-N 2 1 317.433 2.262 10 0 DEAEMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCCn1ccnc1C ZINC000119574899 401959709 /nfs/dbraw/zinc/95/97/09/401959709.db2.gz LWSPUDVNDWKHJD-MRXNPFEDSA-N 2 1 306.454 2.305 10 0 DEAEMP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000119574899 401959711 /nfs/dbraw/zinc/95/97/11/401959711.db2.gz LWSPUDVNDWKHJD-MRXNPFEDSA-N 2 1 306.454 2.305 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000124619721 402188605 /nfs/dbraw/zinc/18/86/05/402188605.db2.gz QKYZJSOREIPEPQ-ZWKOTPCHSA-N 3 1 322.541 2.009 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCN1C ZINC000124619721 402188607 /nfs/dbraw/zinc/18/86/07/402188607.db2.gz QKYZJSOREIPEPQ-ZWKOTPCHSA-N 2 1 322.541 2.009 10 0 DEAEMP COc1ccc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000124123432 402164989 /nfs/dbraw/zinc/16/49/89/402164989.db2.gz LZZIYKIOYNAVIA-HNNXBMFYSA-N 2 1 304.434 2.380 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCOCC2 ZINC000186253085 402415128 /nfs/dbraw/zinc/41/51/28/402415128.db2.gz BAYWDVPNWHKDEK-WCXIOVBPSA-N 2 1 308.466 2.177 10 0 DEAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245426329 402459340 /nfs/dbraw/zinc/45/93/40/402459340.db2.gz FYYBZYIOKPSCNK-IRXDYDNUSA-N 2 1 303.450 2.232 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000245426329 402459342 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10 0 DEAEMP C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000179142052 402575994 /nfs/dbraw/zinc/57/59/94/402575994.db2.gz FQLSCUOBNHXNLE-GOSISDBHSA-N 2 1 315.461 2.252 10 0 DEAEMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000190137326 402578408 /nfs/dbraw/zinc/57/84/08/402578408.db2.gz FSDRDBRJVPNJMG-MRXNPFEDSA-N 2 1 312.502 2.234 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000248485749 402593183 /nfs/dbraw/zinc/59/31/83/402593183.db2.gz KVMUYEMLWNNDNG-BRWVUGGUSA-N 2 1 324.513 2.279 10 0 DEAEMP Cc1cnc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000182606416 402703437 /nfs/dbraw/zinc/70/34/37/402703437.db2.gz IVSVORREXASOKT-XYPWUTKMSA-N 2 1 320.506 2.194 10 0 DEAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261971572 402720523 /nfs/dbraw/zinc/72/05/23/402720523.db2.gz QQKSWSPFNVOLJB-USXIJHARSA-N 2 1 322.424 2.124 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000174786923 402757438 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c1nnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000568266947 292328218 /nfs/dbraw/zinc/32/82/18/292328218.db2.gz VGSJQLPRSHYPLM-INIZCTEOSA-N 2 1 311.433 2.134 10 0 DEAEMP c1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)co1 ZINC000420343038 405326459 /nfs/dbraw/zinc/32/64/59/405326459.db2.gz YIKYVNOUSWJUID-AWEZNQCLSA-N 2 1 302.378 2.294 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)Cc1ccccc1 ZINC000634763943 406271253 /nfs/dbraw/zinc/27/12/53/406271253.db2.gz HPPGYRQTQUDOAR-HKUYNNGSSA-N 2 1 315.461 2.014 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771363 406275994 /nfs/dbraw/zinc/27/59/94/406275994.db2.gz SBHOOJAXOVEXHX-IEZWGBDMSA-N 2 1 315.461 2.013 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194895988 424879798 /nfs/dbraw/zinc/87/97/98/424879798.db2.gz WOOIQXBVEDEXDO-GDBMZVCRSA-N 2 1 323.485 2.103 10 0 DEAEMP CC[C@H]1C[N@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000390767109 424917915 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301.478 2.486 10 0 DEAEMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000398025343 269108191 /nfs/dbraw/zinc/10/81/91/269108191.db2.gz LSOILXROHBVISU-QRQLOZEOSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665578 269112379 /nfs/dbraw/zinc/11/23/79/269112379.db2.gz HCSFTDJSTUCGIS-UONOGXRCSA-N 2 1 322.453 2.198 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCOCC2 ZINC000186240057 276345186 /nfs/dbraw/zinc/34/51/86/276345186.db2.gz CGDHDSJRLWFMGH-USXIJHARSA-N 2 1 308.466 2.035 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358183882 281056240 /nfs/dbraw/zinc/05/62/40/281056240.db2.gz FVKGCUXBBPCCAM-KRWDZBQOSA-N 2 1 322.497 2.202 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358183882 281056242 /nfs/dbraw/zinc/05/62/42/281056242.db2.gz FVKGCUXBBPCCAM-KRWDZBQOSA-N 2 1 322.497 2.202 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358183882 281056245 /nfs/dbraw/zinc/05/62/45/281056245.db2.gz FVKGCUXBBPCCAM-KRWDZBQOSA-N 2 1 322.497 2.202 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113231446 288305053 /nfs/dbraw/zinc/30/50/53/288305053.db2.gz STNDPNAHEWOQOP-RHSMWYFYSA-N 2 1 301.434 2.057 10 0 DEAEMP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261974402 281249670 /nfs/dbraw/zinc/24/96/70/281249670.db2.gz QZFNQEPUPVPZLX-RCCFBDPRSA-N 2 1 304.434 2.121 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000247564893 297098630 /nfs/dbraw/zinc/09/86/30/297098630.db2.gz VKDIEMZWQDBXAL-PMPSAXMXSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000261813564 300306602 /nfs/dbraw/zinc/30/66/02/300306602.db2.gz ADYYEFNOUBLPQZ-JKSUJKDBSA-N 2 1 307.482 2.371 10 0 DEAEMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2c3ccccc3oc2=O)C[C@H]1C ZINC000252506373 527832009 /nfs/dbraw/zinc/83/20/09/527832009.db2.gz RIHXBKJHUAAUOO-CABCVRRESA-N 2 1 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ZINC000262093901 145260341 /nfs/dbraw/zinc/26/03/41/145260341.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 2 1 302.466 2.006 10 0 DEAEMP CN1CC[C@@H](C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)[C@@H]1c1cccnc1 ZINC000262093901 145260343 /nfs/dbraw/zinc/26/03/43/145260343.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 2 1 302.466 2.006 10 0 DEAEMP C[C@@]1(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085365 145260505 /nfs/dbraw/zinc/26/05/05/145260505.db2.gz UGRKNFZUWSIEQX-NVXWUHKLSA-N 2 1 320.412 2.021 10 0 DEAEMP C[C@@]1(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000262085365 145260509 /nfs/dbraw/zinc/26/05/09/145260509.db2.gz UGRKNFZUWSIEQX-NVXWUHKLSA-N 2 1 320.412 2.021 10 0 DEAEMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262952149 145313727 /nfs/dbraw/zinc/31/37/27/145313727.db2.gz JSRGJHIZPPXWHR-JZXOWHBKSA-N 2 1 307.482 2.275 10 0 DEAEMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146675 292158363 /nfs/dbraw/zinc/15/83/63/292158363.db2.gz ZPBUTRLPPVOUSN-MAUKXSAKSA-N 2 1 316.449 2.040 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000358642151 147171814 /nfs/dbraw/zinc/17/18/14/147171814.db2.gz AFGWEYMGBAUKFJ-QGZVFWFLSA-N 2 1 322.497 2.202 10 0 DEAEMP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC000359386936 147318681 /nfs/dbraw/zinc/31/86/81/147318681.db2.gz DCPWKERZAYJGLG-QRQLOZEOSA-N 2 1 318.461 2.292 10 0 DEAEMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513798 401781505 /nfs/dbraw/zinc/78/15/05/401781505.db2.gz LAJPAXHLENBZJJ-SJORKVTESA-N 2 1 320.477 2.433 10 0 DEAEMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513798 401781508 /nfs/dbraw/zinc/78/15/08/401781508.db2.gz LAJPAXHLENBZJJ-SJORKVTESA-N 2 1 320.477 2.433 10 0 DEAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000116289002 401848451 /nfs/dbraw/zinc/84/84/51/401848451.db2.gz ZGESURPDEVMVRP-INIZCTEOSA-N 2 1 319.449 2.406 10 0 DEAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000116289002 401848453 /nfs/dbraw/zinc/84/84/53/401848453.db2.gz ZGESURPDEVMVRP-INIZCTEOSA-N 2 1 319.449 2.406 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963857 401912067 /nfs/dbraw/zinc/91/20/67/401912067.db2.gz KVDXTYGRDXRPQL-OALUTQOASA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963857 401912071 /nfs/dbraw/zinc/91/20/71/401912071.db2.gz KVDXTYGRDXRPQL-OALUTQOASA-N 2 1 320.477 2.228 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963857 401912074 /nfs/dbraw/zinc/91/20/74/401912074.db2.gz KVDXTYGRDXRPQL-OALUTQOASA-N 2 1 320.477 2.228 10 0 DEAEMP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C[NH+](C)C ZINC000085362330 401914496 /nfs/dbraw/zinc/91/44/96/401914496.db2.gz CSJLHTPQEUGUCW-WZYMTQMTSA-N 2 1 324.513 2.277 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119674770 401962831 /nfs/dbraw/zinc/96/28/31/401962831.db2.gz VWIFHMUHEDWBTC-JCYILVPMSA-N 2 1 324.513 2.280 10 0 DEAEMP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047971118 401991384 /nfs/dbraw/zinc/99/13/84/401991384.db2.gz KJZHYKQUAWHUQR-IAGOWNOFSA-N 2 1 321.509 2.299 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[NH+](CC)CC)C1 ZINC000151850036 402061146 /nfs/dbraw/zinc/06/11/46/402061146.db2.gz YTGGGKBJCFMPBW-OAHLLOKOSA-N 2 1 321.469 2.134 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[NH+](CC)CC)C1 ZINC000151850106 402061069 /nfs/dbraw/zinc/06/10/69/402061069.db2.gz YTGGGKBJCFMPBW-HNNXBMFYSA-N 2 1 321.469 2.134 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000152376393 402093500 /nfs/dbraw/zinc/09/35/00/402093500.db2.gz MLXLHIULEVAHSO-MRXNPFEDSA-N 2 1 312.502 2.088 10 0 DEAEMP CCC(CC)(C[NH3+])C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000236656388 402371410 /nfs/dbraw/zinc/37/14/10/402371410.db2.gz WSGAWXALNYPXDG-UHFFFAOYSA-N 2 1 318.465 2.240 10 0 DEAEMP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624542 402393472 /nfs/dbraw/zinc/39/34/72/402393472.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 2 1 300.450 2.267 10 0 DEAEMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178291088 402480322 /nfs/dbraw/zinc/48/03/22/402480322.db2.gz ZVENWRRONOBTEM-CZUORRHYSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178291088 402480324 /nfs/dbraw/zinc/48/03/24/402480324.db2.gz ZVENWRRONOBTEM-CZUORRHYSA-N 2 1 306.454 2.349 10 0 DEAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307549 402482954 /nfs/dbraw/zinc/48/29/54/402482954.db2.gz AQEFLDZTFSEZHM-MRXNPFEDSA-N 2 1 306.454 2.301 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307549 402482955 /nfs/dbraw/zinc/48/29/55/402482955.db2.gz AQEFLDZTFSEZHM-MRXNPFEDSA-N 2 1 306.454 2.301 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000178307549 402482956 /nfs/dbraw/zinc/48/29/56/402482956.db2.gz AQEFLDZTFSEZHM-MRXNPFEDSA-N 2 1 306.454 2.301 10 0 DEAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NCC1CCCCC1 ZINC000178320128 402484489 /nfs/dbraw/zinc/48/44/89/402484489.db2.gz LNBGACUDIAYJIT-QGZVFWFLSA-N 2 1 318.465 2.352 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC1CCCCC1 ZINC000178320128 402484494 /nfs/dbraw/zinc/48/44/94/402484494.db2.gz LNBGACUDIAYJIT-QGZVFWFLSA-N 2 1 318.465 2.352 10 0 DEAEMP COC[C@@H](C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000187187557 402487210 /nfs/dbraw/zinc/48/72/10/402487210.db2.gz ZMPFZMMNXLHLHG-SFHVURJKSA-N 2 1 319.493 2.019 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178848116 402546763 /nfs/dbraw/zinc/54/67/63/402546763.db2.gz WTHCJVHLHFHSLE-WMLDXEAASA-N 2 1 318.465 2.208 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000246199120 402517893 /nfs/dbraw/zinc/51/78/93/402517893.db2.gz MWZOKDYKCCHBGS-BRWVUGGUSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246280534 402522650 /nfs/dbraw/zinc/52/26/50/402522650.db2.gz NMMQCQSKSJCZDF-ZGRYLRDCSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246446861 402531349 /nfs/dbraw/zinc/53/13/49/402531349.db2.gz NZSHJEYFYRAWAC-CVEARBPZSA-N 2 1 312.502 2.090 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246446861 402531350 /nfs/dbraw/zinc/53/13/50/402531350.db2.gz NZSHJEYFYRAWAC-CVEARBPZSA-N 2 1 312.502 2.090 10 0 DEAEMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246446861 402531354 /nfs/dbraw/zinc/53/13/54/402531354.db2.gz NZSHJEYFYRAWAC-CVEARBPZSA-N 2 1 312.502 2.090 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246483852 402533106 /nfs/dbraw/zinc/53/31/06/402533106.db2.gz RCPMTNIWTRFLRA-IKGGRYGDSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246483869 402533114 /nfs/dbraw/zinc/53/31/14/402533114.db2.gz RCPMTNIWTRFLRA-ULQDDVLXSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000246505778 402534094 /nfs/dbraw/zinc/53/40/94/402534094.db2.gz WUUHZXXCNAUQHC-BBWFWOEESA-N 2 1 322.497 2.129 10 0 DEAEMP CCn1cc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190475998 402604019 /nfs/dbraw/zinc/60/40/19/402604019.db2.gz MPCSRLRWPFFCKJ-QGZVFWFLSA-N 2 1 313.449 2.252 10 0 DEAEMP CCn1cc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190475998 402604022 /nfs/dbraw/zinc/60/40/22/402604022.db2.gz MPCSRLRWPFFCKJ-QGZVFWFLSA-N 2 1 313.449 2.252 10 0 DEAEMP C[C@H](CCNC(=O)N1CCC[N@H+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000182696082 402709399 /nfs/dbraw/zinc/70/93/99/402709399.db2.gz CYCHJTRWWKSWNK-MRXNPFEDSA-N 2 1 322.497 2.131 10 0 DEAEMP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261934839 402719163 /nfs/dbraw/zinc/71/91/63/402719163.db2.gz MDAZRTDAYKCUSB-ZACQAIPSSA-N 2 1 310.482 2.330 10 0 DEAEMP C[N@@H+](CCN1CC[C@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000173210460 402688179 /nfs/dbraw/zinc/68/81/79/402688179.db2.gz MZIYVGVJYZVTBS-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000174174117 402730030 /nfs/dbraw/zinc/73/00/30/402730030.db2.gz GYBVFXJIWMRNNF-ZACQAIPSSA-N 2 1 324.513 2.233 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000174880052 402761212 /nfs/dbraw/zinc/76/12/12/402761212.db2.gz YJGNDYZONDNYPL-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000174880052 402761213 /nfs/dbraw/zinc/76/12/13/402761213.db2.gz YJGNDYZONDNYPL-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730256 402827269 /nfs/dbraw/zinc/82/72/69/402827269.db2.gz LGCGZIGLWMQBIB-CXAGYDPISA-N 2 1 315.465 2.439 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730256 402827270 /nfs/dbraw/zinc/82/72/70/402827270.db2.gz LGCGZIGLWMQBIB-CXAGYDPISA-N 2 1 315.465 2.439 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)[C@H](C)C1 ZINC000175730256 402827271 /nfs/dbraw/zinc/82/72/71/402827271.db2.gz LGCGZIGLWMQBIB-CXAGYDPISA-N 2 1 315.465 2.439 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175773821 402831617 /nfs/dbraw/zinc/83/16/17/402831617.db2.gz OQEHQWSTWHEKFK-ZBFHGGJFSA-N 2 1 321.469 2.096 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)[nH+]1 ZINC000195516127 402849652 /nfs/dbraw/zinc/84/96/52/402849652.db2.gz BULJMHSSRSHYBL-HNNXBMFYSA-N 2 1 316.449 2.183 10 0 DEAEMP CC(=O)c1ccccc1OCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292189084 403316075 /nfs/dbraw/zinc/31/60/75/403316075.db2.gz RDPKAJIKJQNBAK-SFHVURJKSA-N 2 1 302.418 2.296 10 0 DEAEMP Cc1cc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cn2cc[nH+]c12 ZINC000333098080 403665731 /nfs/dbraw/zinc/66/57/31/403665731.db2.gz AKNVXHVAQCNBHR-CQSZACIVSA-N 2 1 301.394 2.249 10 0 DEAEMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CC3)CC2)cs1 ZINC000374007128 404668080 /nfs/dbraw/zinc/66/80/80/404668080.db2.gz BLEJUZAQSWEZIL-UHFFFAOYSA-N 2 1 321.494 2.194 10 0 DEAEMP C(C[NH+]1CC[C@]2(C1)CCCOC2)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276777 404720525 /nfs/dbraw/zinc/72/05/25/404720525.db2.gz HOLSSGQZPVULED-OALUTQOASA-N 2 1 322.493 2.382 10 0 DEAEMP C(C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)CC1CCCCC1 ZINC000367317677 405011055 /nfs/dbraw/zinc/01/10/55/405011055.db2.gz MNEWGZOERFWRBW-IBGZPJMESA-N 2 1 323.525 2.343 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000389875878 405041619 /nfs/dbraw/zinc/04/16/19/405041619.db2.gz LRGIZRPCXBEQSR-ATLSCFEFSA-N 2 1 315.461 2.011 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396316690 405057206 /nfs/dbraw/zinc/05/72/06/405057206.db2.gz DTZPQTQHCRXYJA-NXHRZFHOSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396316690 405057211 /nfs/dbraw/zinc/05/72/11/405057211.db2.gz DTZPQTQHCRXYJA-NXHRZFHOSA-N 2 1 315.461 2.237 10 0 DEAEMP CN(C)c1ncc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n1C ZINC000425333120 405274838 /nfs/dbraw/zinc/27/48/38/405274838.db2.gz FIDBDYSNKSCVQD-INIZCTEOSA-N 2 1 306.454 2.410 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635003148 406395438 /nfs/dbraw/zinc/39/54/38/406395438.db2.gz GPSUJFPVFLFZPV-UHOSZYNNSA-N 3 1 319.493 2.098 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000635005340 406396785 /nfs/dbraw/zinc/39/67/85/406396785.db2.gz UQLOOKUJQUIVMV-NEWSRXKRSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635005340 406396790 /nfs/dbraw/zinc/39/67/90/406396790.db2.gz UQLOOKUJQUIVMV-NEWSRXKRSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000635005340 406396797 /nfs/dbraw/zinc/39/67/97/406396797.db2.gz UQLOOKUJQUIVMV-NEWSRXKRSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638286259 406672045 /nfs/dbraw/zinc/67/20/45/406672045.db2.gz OQTXERCMCJDUEL-MRXNPFEDSA-N 2 1 315.461 2.109 10 0 DEAEMP c1cc(OCCC[NH+]2CCC3(CC[NH2+]3)CC2)cc2c1OCO2 ZINC000422631750 230160459 /nfs/dbraw/zinc/16/04/59/230160459.db2.gz FVNSLPXBKPRINU-UHFFFAOYSA-N 2 1 304.390 2.012 10 0 DEAEMP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381724865 424908519 /nfs/dbraw/zinc/90/85/19/424908519.db2.gz JHQVAUBZUWWOEX-QZTJIDSGSA-N 2 1 315.461 2.157 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398041132 424922496 /nfs/dbraw/zinc/92/24/96/424922496.db2.gz RXWMKVARIUPDDI-BGTYHANMSA-N 2 1 315.461 2.141 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404327772 424926440 /nfs/dbraw/zinc/92/64/40/424926440.db2.gz WWQUTZLZERHSQM-AEFFLSMTSA-N 2 1 317.477 2.484 10 0 DEAEMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423517387 275065643 /nfs/dbraw/zinc/06/56/43/275065643.db2.gz YHGKWEUQGJWULI-DQPZFDDXSA-N 2 1 303.450 2.463 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000179338690 276038744 /nfs/dbraw/zinc/03/87/44/276038744.db2.gz XZKPBOPYTUYKHC-BRWVUGGUSA-N 2 1 303.450 2.278 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247388876 277385223 /nfs/dbraw/zinc/38/52/23/277385223.db2.gz QGJWYDZGUWQIKZ-DOTOQJQBSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccc(F)cc2C1 ZINC000184533956 278052201 /nfs/dbraw/zinc/05/22/01/278052201.db2.gz WCHGWAAAKWSOKE-GOSISDBHSA-N 2 1 319.424 2.303 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000245878209 279123833 /nfs/dbraw/zinc/12/38/33/279123833.db2.gz AVANSJHXFFACOW-BRWVUGGUSA-N 2 1 324.513 2.088 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074492930 279309472 /nfs/dbraw/zinc/30/94/72/279309472.db2.gz GESXQMZGPVEJSR-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245909001 280098250 /nfs/dbraw/zinc/09/82/50/280098250.db2.gz IRVXNKGVUTUXIO-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000261666383 295271322 /nfs/dbraw/zinc/27/13/22/295271322.db2.gz FQFFWFSDQYILIJ-QZTJIDSGSA-N 2 1 321.509 2.476 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000246260756 521718188 /nfs/dbraw/zinc/71/81/88/521718188.db2.gz LASMEGGLEJSSBE-ZCRFILTFSA-N 2 1 307.482 2.096 10 0 DEAEMP C[NH+](C)CCCCCCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105194316 524051797 /nfs/dbraw/zinc/05/17/97/524051797.db2.gz MELPZHQTGGRJED-QGZVFWFLSA-N 2 1 324.513 2.378 10 0 DEAEMP CCN(C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960258 535770619 /nfs/dbraw/zinc/77/06/19/535770619.db2.gz HFFQQPNZQBWVQC-UONOGXRCSA-N 2 1 307.404 2.192 10 0 DEAEMP Brc1ccoc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000735320774 633502103 /nfs/dbraw/zinc/50/21/03/633502103.db2.gz MJRMYIJFNRUOHJ-UHFFFAOYSA-N 2 1 317.227 2.244 10 0 DEAEMP C[C@H]([NH3+])CC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877577 636655787 /nfs/dbraw/zinc/65/57/87/636655787.db2.gz SMBOTDHHUAIQCL-YOEHRIQHSA-N 2 1 317.477 2.313 10 0 DEAEMP C[C@@]1(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033352 637057932 /nfs/dbraw/zinc/05/79/32/637057932.db2.gz OGGWFLLRUZPKRC-MAUKXSAKSA-N 3 1 302.466 2.398 10 0 DEAEMP C[C@@]1(CN2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033352 637057937 /nfs/dbraw/zinc/05/79/37/637057937.db2.gz OGGWFLLRUZPKRC-MAUKXSAKSA-N 2 1 302.466 2.398 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000716240987 792944585 /nfs/dbraw/zinc/94/45/85/792944585.db2.gz IBNJZPJTIWAFEV-CHPDAQJUSA-N 2 1 316.445 2.187 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000716240987 792944587 /nfs/dbraw/zinc/94/45/87/792944587.db2.gz IBNJZPJTIWAFEV-CHPDAQJUSA-N 2 1 316.445 2.187 10 0 DEAEMP COC[C@@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620180 792978562 /nfs/dbraw/zinc/97/85/62/792978562.db2.gz LNHVSFNVXGAUHL-VJANTYMQSA-N 2 1 318.461 2.027 10 0 DEAEMP C[S@](=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681749 793001886 /nfs/dbraw/zinc/00/18/86/793001886.db2.gz ZACDEFDZIVPLNM-SUWCGCSTSA-N 2 1 320.502 2.398 10 0 DEAEMP CN(C)C(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734521 793004872 /nfs/dbraw/zinc/00/48/72/793004872.db2.gz WAYINSSAZODQAH-BZSNNMDCSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000709478142 1086682736 /nfs/dbraw/zinc/68/27/36/1086682736.db2.gz MMXCVISXNMQWSX-SUMDDJOVSA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000711344625 1087069690 /nfs/dbraw/zinc/06/96/90/1087069690.db2.gz JLASIKYYWMVSDW-DJIMGWMZSA-N 2 1 315.461 2.011 10 0 DEAEMP C[N@@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)CCC(F)(F)F ZINC000088417572 185249144 /nfs/dbraw/zinc/24/91/44/185249144.db2.gz HDFVVMAWPCPDKB-UHFFFAOYSA-N 2 1 303.328 2.358 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC000178315086 282217623 /nfs/dbraw/zinc/21/76/23/282217623.db2.gz CAPPZVAAAJRPTF-DOTOQJQBSA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC000178315086 282217626 /nfs/dbraw/zinc/21/76/26/282217626.db2.gz CAPPZVAAAJRPTF-DOTOQJQBSA-N 2 1 318.465 2.447 10 0 DEAEMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000181524101 539651708 /nfs/dbraw/zinc/65/17/08/539651708.db2.gz MVNODXBTBYTGKQ-UHFFFAOYSA-N 2 1 312.461 2.352 10 0 DEAEMP COc1cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc2c1OCO2 ZINC000188415146 539682520 /nfs/dbraw/zinc/68/25/20/539682520.db2.gz IRMPPCCTXDCQMQ-CQSZACIVSA-N 2 1 315.373 2.285 10 0 DEAEMP CCC[NH2+]C[C@@H]1COCCN1c1cc[nH+]cc1Br ZINC000164157189 186150860 /nfs/dbraw/zinc/15/08/60/186150860.db2.gz OZDGPMUFMJMZNJ-LLVKDONJSA-N 2 1 314.227 2.049 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309693230 539878411 /nfs/dbraw/zinc/87/84/11/539878411.db2.gz CITYAIDGDOODMW-IAGOWNOFSA-N 2 1 303.450 2.093 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000174777615 198383584 /nfs/dbraw/zinc/38/35/84/198383584.db2.gz QWFYDNYFEIEEFF-OCCSQVGLSA-N 2 1 324.856 2.336 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382727584 540123551 /nfs/dbraw/zinc/12/35/51/540123551.db2.gz WCJZPFPPVDQKOQ-WMZOPIPTSA-N 2 1 317.477 2.483 10 0 DEAEMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400474683 283157461 /nfs/dbraw/zinc/15/74/61/283157461.db2.gz ZHSWEZWMJXQQBZ-NBMJBFSESA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H](N[C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000400474683 283157463 /nfs/dbraw/zinc/15/74/63/283157463.db2.gz ZHSWEZWMJXQQBZ-NBMJBFSESA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H](N[C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400474683 283157467 /nfs/dbraw/zinc/15/74/67/283157467.db2.gz ZHSWEZWMJXQQBZ-NBMJBFSESA-N 2 1 301.478 2.485 10 0 DEAEMP C[N@@H+](CCNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000386792548 356699462 /nfs/dbraw/zinc/69/94/62/356699462.db2.gz OPFPGXISHVYEAS-UHFFFAOYSA-N 2 1 311.429 2.050 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000629570187 367256354 /nfs/dbraw/zinc/25/63/54/367256354.db2.gz ADDKZCIHJZIFHB-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631837489 368414798 /nfs/dbraw/zinc/41/47/98/368414798.db2.gz BVRKVULLWIZVGA-VXGBXAGGSA-N 2 1 313.239 2.355 10 0 DEAEMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000092275824 193184077 /nfs/dbraw/zinc/18/40/77/193184077.db2.gz VGWPICGKXPPWPY-ZNMIVQPWSA-N 2 1 304.459 2.329 10 0 DEAEMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000092275824 193184079 /nfs/dbraw/zinc/18/40/79/193184079.db2.gz VGWPICGKXPPWPY-ZNMIVQPWSA-N 2 1 304.459 2.329 10 0 DEAEMP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638894 193387709 /nfs/dbraw/zinc/38/77/09/193387709.db2.gz DRDWJAHEYCUTFR-HOTGVXAUSA-N 2 1 316.511 2.052 10 0 DEAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc(C[NH2+]C2CC2)s1 ZINC000094444155 193370016 /nfs/dbraw/zinc/37/00/16/193370016.db2.gz XMDTUACIBZLGAH-GXTWGEPZSA-N 2 1 306.479 2.458 10 0 DEAEMP [NH3+]C[C@]1(N2CC[N@H+]3CCC[C@@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000094459066 193371561 /nfs/dbraw/zinc/37/15/61/193371561.db2.gz LDWCGWUCOCNUJR-MCIONIFRSA-N 2 1 305.388 2.216 10 0 DEAEMP CC[N@H+](CCOc1ccc(Br)cc1)CCC(N)=[NH2+] ZINC000042452863 183271927 /nfs/dbraw/zinc/27/19/27/183271927.db2.gz CAWDYDZHOFRCGG-UHFFFAOYSA-N 2 1 314.227 2.476 10 0 DEAEMP CC[N@@H+](CCOc1ccc(Br)cc1)CCC(N)=[NH2+] ZINC000042452863 183271928 /nfs/dbraw/zinc/27/19/28/183271928.db2.gz CAWDYDZHOFRCGG-UHFFFAOYSA-N 2 1 314.227 2.476 10 0 DEAEMP C[C@@H]1CC(O)C[C@H](C)[NH+]1C/C=C\C[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000429282908 296289886 /nfs/dbraw/zinc/28/98/86/296289886.db2.gz DVVAKBYCUZLMPB-DMWZWNPZSA-N 2 1 310.482 2.010 10 0 DEAEMP C[N@H+]1CCN(c2cc(Br)ccc2C[NH3+])CC1(C)C ZINC000110731141 194354814 /nfs/dbraw/zinc/35/48/14/194354814.db2.gz BFEHSDFUTHAAKZ-UHFFFAOYSA-N 2 1 312.255 2.438 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000358185779 133126564 /nfs/dbraw/zinc/12/65/64/133126564.db2.gz IGLTWYDJXYYVPC-UHFFFAOYSA-N 2 1 322.497 2.247 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000358198172 133127477 /nfs/dbraw/zinc/12/74/77/133127477.db2.gz XIAHTQCVOGRVCK-KRWDZBQOSA-N 2 1 322.497 2.012 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000358198172 133127478 /nfs/dbraw/zinc/12/74/78/133127478.db2.gz XIAHTQCVOGRVCK-KRWDZBQOSA-N 2 1 322.497 2.012 10 0 DEAEMP COC(=O)[C@H](C)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585908 133279018 /nfs/dbraw/zinc/27/90/18/133279018.db2.gz UYVSGMCMXDWTEQ-BPQIPLTHSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585908 133279019 /nfs/dbraw/zinc/27/90/19/133279019.db2.gz UYVSGMCMXDWTEQ-BPQIPLTHSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368585908 133279020 /nfs/dbraw/zinc/27/90/20/133279020.db2.gz UYVSGMCMXDWTEQ-BPQIPLTHSA-N 2 1 316.445 2.249 10 0 DEAEMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000192544805 145075092 /nfs/dbraw/zinc/07/50/92/145075092.db2.gz OLIYMJAMATYFBG-AWEZNQCLSA-N 2 1 304.438 2.359 10 0 DEAEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193632527 145088218 /nfs/dbraw/zinc/08/82/18/145088218.db2.gz YSLUHXVZAFZFLN-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193632527 145088219 /nfs/dbraw/zinc/08/82/19/145088219.db2.gz YSLUHXVZAFZFLN-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]2C1 ZINC000193632527 145088220 /nfs/dbraw/zinc/08/82/20/145088220.db2.gz YSLUHXVZAFZFLN-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246712321 145111176 /nfs/dbraw/zinc/11/11/76/145111176.db2.gz LENQDXGXWFWPKO-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246712321 145111177 /nfs/dbraw/zinc/11/11/77/145111177.db2.gz LENQDXGXWFWPKO-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246712321 145111179 /nfs/dbraw/zinc/11/11/79/145111179.db2.gz LENQDXGXWFWPKO-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246712321 145111181 /nfs/dbraw/zinc/11/11/81/145111181.db2.gz LENQDXGXWFWPKO-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246773087 145114060 /nfs/dbraw/zinc/11/40/60/145114060.db2.gz OGJJTCQYKDHRKX-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246773087 145114061 /nfs/dbraw/zinc/11/40/61/145114061.db2.gz OGJJTCQYKDHRKX-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246773087 145114063 /nfs/dbraw/zinc/11/40/63/145114063.db2.gz OGJJTCQYKDHRKX-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246773087 145114066 /nfs/dbraw/zinc/11/40/66/145114066.db2.gz OGJJTCQYKDHRKX-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000247473650 145138689 /nfs/dbraw/zinc/13/86/89/145138689.db2.gz RWWUXDLBINNTJX-PBHICJAKSA-N 2 1 316.449 2.449 10 0 DEAEMP OCC1([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000248409388 145153006 /nfs/dbraw/zinc/15/30/06/145153006.db2.gz FXDGVNFCNHEOSI-KZNAEPCWSA-N 2 1 300.446 2.402 10 0 DEAEMP C[C@H](CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCCCC1 ZINC000248497323 145157467 /nfs/dbraw/zinc/15/74/67/145157467.db2.gz RDXCYYCSBKBFBL-ZACQAIPSSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834955 145231879 /nfs/dbraw/zinc/23/18/79/145231879.db2.gz ULJYLKLWMPPUOO-XOYOTBSWSA-N 2 1 315.461 2.313 10 0 DEAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000262029126 145254834 /nfs/dbraw/zinc/25/48/34/145254834.db2.gz XJJUJHRNMRGYCA-IMJJTQAJSA-N 2 1 308.397 2.081 10 0 DEAEMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000262091622 145260687 /nfs/dbraw/zinc/26/06/87/145260687.db2.gz LMKVFBRXSCSWHS-KSSFIOAISA-N 2 1 319.424 2.031 10 0 DEAEMP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000262091620 145260876 /nfs/dbraw/zinc/26/08/76/145260876.db2.gz LMKVFBRXSCSWHS-KBXCAEBGSA-N 2 1 319.424 2.031 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203913 145335931 /nfs/dbraw/zinc/33/59/31/145335931.db2.gz JKAVNQODMKJDJF-JOYOIKCWSA-N 2 1 308.731 2.029 10 0 DEAEMP CC(C)[NH2+]C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074792826 401744334 /nfs/dbraw/zinc/74/43/34/401744334.db2.gz NGAARYWXTNTANK-ALOPSCKCSA-N 2 1 322.497 2.174 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000123246585 402117463 /nfs/dbraw/zinc/11/74/63/402117463.db2.gz GLXZCJPVNLARBO-ZACQAIPSSA-N 2 1 324.513 2.136 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000125161609 402216822 /nfs/dbraw/zinc/21/68/22/402216822.db2.gz VOVQNGTTWIAUEQ-KRWDZBQOSA-N 2 1 312.417 2.319 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000125161609 402216824 /nfs/dbraw/zinc/21/68/24/402216824.db2.gz VOVQNGTTWIAUEQ-KRWDZBQOSA-N 2 1 312.417 2.319 10 0 DEAEMP CC1(C)CC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000105070697 402205915 /nfs/dbraw/zinc/20/59/15/402205915.db2.gz NVCDGFGOFTXIMM-OAHLLOKOSA-N 2 1 322.497 2.175 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C12CCOCC2 ZINC000186240016 402414566 /nfs/dbraw/zinc/41/45/66/402414566.db2.gz CGDHDSJRLWFMGH-BHYGNILZSA-N 2 1 308.466 2.035 10 0 DEAEMP CC(C)c1[nH+]ccn1CCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186539759 402440441 /nfs/dbraw/zinc/44/04/41/402440441.db2.gz GMHYCRAQCQKSKG-CQSZACIVSA-N 2 1 304.438 2.140 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000177333375 402392188 /nfs/dbraw/zinc/39/21/88/402392188.db2.gz XXEIFJPIQORUJE-HNNXBMFYSA-N 2 1 324.513 2.421 10 0 DEAEMP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624651 402393803 /nfs/dbraw/zinc/39/38/03/402393803.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 2 1 300.450 2.267 10 0 DEAEMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000178299806 402481950 /nfs/dbraw/zinc/48/19/50/402481950.db2.gz MWCXPHLEPCZOJT-CYBMUJFWSA-N 2 1 303.362 2.236 10 0 DEAEMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000178299806 402481951 /nfs/dbraw/zinc/48/19/51/402481951.db2.gz MWCXPHLEPCZOJT-CYBMUJFWSA-N 2 1 303.362 2.236 10 0 DEAEMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000171192369 402565078 /nfs/dbraw/zinc/56/50/78/402565078.db2.gz MWEAAFWGQJTIGT-OAGGEKHMSA-N 2 1 324.513 2.136 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000247401420 402566164 /nfs/dbraw/zinc/56/61/64/402566164.db2.gz RCEDYLCIHRZSPW-GDBMZVCRSA-N 2 1 324.513 2.277 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246196233 402518151 /nfs/dbraw/zinc/51/81/51/402518151.db2.gz MSFWFNDQCVGVDA-BBWFWOEESA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246196233 402518153 /nfs/dbraw/zinc/51/81/53/402518153.db2.gz MSFWFNDQCVGVDA-BBWFWOEESA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246196233 402518155 /nfs/dbraw/zinc/51/81/55/402518155.db2.gz MSFWFNDQCVGVDA-BBWFWOEESA-N 2 1 324.513 2.375 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553854 402536530 /nfs/dbraw/zinc/53/65/30/402536530.db2.gz YSTNGUSBCVTXCM-QBPKDAKJSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553854 402536532 /nfs/dbraw/zinc/53/65/32/402536532.db2.gz YSTNGUSBCVTXCM-QBPKDAKJSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553854 402536534 /nfs/dbraw/zinc/53/65/34/402536534.db2.gz YSTNGUSBCVTXCM-QBPKDAKJSA-N 2 1 324.513 2.231 10 0 DEAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247920046 402577959 /nfs/dbraw/zinc/57/79/59/402577959.db2.gz BQMXHKMOJCOIJK-CABCVRRESA-N 2 1 311.470 2.460 10 0 DEAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247920046 402577960 /nfs/dbraw/zinc/57/79/60/402577960.db2.gz BQMXHKMOJCOIJK-CABCVRRESA-N 2 1 311.470 2.460 10 0 DEAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247920046 402577961 /nfs/dbraw/zinc/57/79/61/402577961.db2.gz BQMXHKMOJCOIJK-CABCVRRESA-N 2 1 311.470 2.460 10 0 DEAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247920046 402577962 /nfs/dbraw/zinc/57/79/62/402577962.db2.gz BQMXHKMOJCOIJK-CABCVRRESA-N 2 1 311.470 2.460 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184242961 402830106 /nfs/dbraw/zinc/83/01/06/402830106.db2.gz IVUZDKMKGAQBBU-INIZCTEOSA-N 2 1 318.465 2.482 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000194146137 402785514 /nfs/dbraw/zinc/78/55/14/402785514.db2.gz IMERHUBMEKWVMG-INIZCTEOSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000194146137 402785517 /nfs/dbraw/zinc/78/55/17/402785517.db2.gz IMERHUBMEKWVMG-INIZCTEOSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000194146137 402785521 /nfs/dbraw/zinc/78/55/21/402785521.db2.gz IMERHUBMEKWVMG-INIZCTEOSA-N 2 1 324.513 2.425 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000194160106 402786286 /nfs/dbraw/zinc/78/62/86/402786286.db2.gz LPSBEPQYFPZROE-OAHLLOKOSA-N 2 1 310.486 2.033 10 0 DEAEMP O=C(C[C@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323788780 404095017 /nfs/dbraw/zinc/09/50/17/404095017.db2.gz GBPZCGNWYFVSPV-GOSISDBHSA-N 2 1 315.461 2.111 10 0 DEAEMP C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000396343972 405056995 /nfs/dbraw/zinc/05/69/95/405056995.db2.gz ZMEPIDRYPRPECW-FAEJEUNOSA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000396343972 405057003 /nfs/dbraw/zinc/05/70/03/405057003.db2.gz ZMEPIDRYPRPECW-FAEJEUNOSA-N 2 1 315.461 2.237 10 0 DEAEMP c1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)co1 ZINC000420343039 405326485 /nfs/dbraw/zinc/32/64/85/405326485.db2.gz YIKYVNOUSWJUID-CQSZACIVSA-N 2 1 302.378 2.294 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000423184432 405713886 /nfs/dbraw/zinc/71/38/86/405713886.db2.gz IBUDWGCMUHWMKK-CEXWTWQISA-N 2 1 316.493 2.462 10 0 DEAEMP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000639474505 406105050 /nfs/dbraw/zinc/10/50/50/406105050.db2.gz OROAEFNVHVSVMW-SJORKVTESA-N 2 1 317.481 2.353 10 0 DEAEMP c1sc(CCC[NH2+]CC23CC(C2)C[NH2+]3)nc1-c1ccncc1 ZINC000634995354 406390338 /nfs/dbraw/zinc/39/03/38/406390338.db2.gz BKVWKXOTLRTKMC-UHFFFAOYSA-N 2 1 314.458 2.479 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CC1 ZINC000525302087 406483668 /nfs/dbraw/zinc/48/36/68/406483668.db2.gz MAASISONIBQAKI-QGZVFWFLSA-N 2 1 324.513 2.234 10 0 DEAEMP C[C@@H]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000637948732 406491347 /nfs/dbraw/zinc/49/13/47/406491347.db2.gz QRBDKFFFWDTUBG-MRXNPFEDSA-N 2 1 315.461 2.238 10 0 DEAEMP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000638079187 406558299 /nfs/dbraw/zinc/55/82/99/406558299.db2.gz CHOYSEPFVYTAPY-QZTJIDSGSA-N 2 1 313.445 2.205 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000638305275 406686094 /nfs/dbraw/zinc/68/60/94/406686094.db2.gz TYRIUFBGEJNQIH-GOSISDBHSA-N 2 1 304.434 2.178 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccccc2F)CC1 ZINC000137594057 287086056 /nfs/dbraw/zinc/08/60/56/287086056.db2.gz TWAQJKVSYLAOJE-OAHLLOKOSA-N 2 1 308.441 2.393 10 0 DEAEMP CC[C@@H]1C[N@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000390767112 424917503 /nfs/dbraw/zinc/91/75/03/424917503.db2.gz RTIJTUUTSNZFLV-SJORKVTESA-N 2 1 303.450 2.094 10 0 DEAEMP CC[C@@H]1C[N@@H+](CC(=O)N(CC)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000390767112 424917506 /nfs/dbraw/zinc/91/75/06/424917506.db2.gz RTIJTUUTSNZFLV-SJORKVTESA-N 2 1 303.450 2.094 10 0 DEAEMP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390738391 424917616 /nfs/dbraw/zinc/91/76/16/424917616.db2.gz ABFNJWFYVACBFM-MRXNPFEDSA-N 2 1 303.450 2.237 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309593263 424893373 /nfs/dbraw/zinc/89/33/73/424893373.db2.gz PJGAUINUXJEDEE-DLBZAZTESA-N 2 1 303.450 2.141 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247388890 277385205 /nfs/dbraw/zinc/38/52/05/277385205.db2.gz QGJWYDZGUWQIKZ-NVXWUHKLSA-N 2 1 324.513 2.135 10 0 DEAEMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000174537577 278150721 /nfs/dbraw/zinc/15/07/21/278150721.db2.gz FTIQZNFVAWFELQ-MGNMYUMUSA-N 2 1 307.482 2.382 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247426057 279293724 /nfs/dbraw/zinc/29/37/24/279293724.db2.gz VOSQCIRWQLUXOM-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000245425288 279298055 /nfs/dbraw/zinc/29/80/55/279298055.db2.gz TVRLHDLJOQNBAF-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245425288 279298056 /nfs/dbraw/zinc/29/80/56/279298056.db2.gz TVRLHDLJOQNBAF-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245425288 279298057 /nfs/dbraw/zinc/29/80/57/279298057.db2.gz TVRLHDLJOQNBAF-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)[nH+]1 ZINC000151111223 281246994 /nfs/dbraw/zinc/24/69/94/281246994.db2.gz XQUQOJNQFWHDFW-CVEARBPZSA-N 2 1 321.465 2.300 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)COC(C)(C)C)C2)[nH+]1 ZINC000151111223 281246995 /nfs/dbraw/zinc/24/69/95/281246995.db2.gz XQUQOJNQFWHDFW-CVEARBPZSA-N 2 1 321.465 2.300 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](CC)[NH+]2CCCC2)C12CCOCC2 ZINC000248921574 535505445 /nfs/dbraw/zinc/50/54/45/535505445.db2.gz FDZPCJXFDFZXEN-YESZJQIVSA-N 2 1 310.482 2.425 10 0 DEAEMP C[C@H](CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262302731 625157337 /nfs/dbraw/zinc/15/73/37/625157337.db2.gz OUHPVESLCCDOHI-TWMKSMIVSA-N 2 1 307.482 2.097 10 0 DEAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097176 635540092 /nfs/dbraw/zinc/54/00/92/635540092.db2.gz DDOKMLFWCSBJKV-TVFCKZIOSA-N 2 1 321.440 2.180 10 0 DEAEMP c1cn(CCC[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)cn1 ZINC000399649457 635746160 /nfs/dbraw/zinc/74/61/60/635746160.db2.gz KOVTVRMDLDXDFB-DFNIBXOVSA-N 2 1 310.445 2.383 10 0 DEAEMP c1cn(CCC[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000399649457 635746163 /nfs/dbraw/zinc/74/61/63/635746163.db2.gz KOVTVRMDLDXDFB-DFNIBXOVSA-N 2 1 310.445 2.383 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000381767835 685401969 /nfs/dbraw/zinc/40/19/69/685401969.db2.gz PDPDPRQRNMROIQ-MOPGFXCFSA-N 2 1 320.477 2.274 10 0 DEAEMP CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000724102769 777241203 /nfs/dbraw/zinc/24/12/03/777241203.db2.gz JRDMKZJTAZIIFX-SNVBAGLBSA-N 2 1 304.303 2.009 10 0 DEAEMP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000724627713 787352232 /nfs/dbraw/zinc/35/22/32/787352232.db2.gz JQIQOHZSTBSPNF-QRQLOZEOSA-N 2 1 316.445 2.045 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000397729192 790214005 /nfs/dbraw/zinc/21/40/05/790214005.db2.gz DNHLZIUXJKHCNR-GJZGRUSLSA-N 2 1 309.454 2.070 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000397729192 790214011 /nfs/dbraw/zinc/21/40/11/790214011.db2.gz DNHLZIUXJKHCNR-GJZGRUSLSA-N 2 1 309.454 2.070 10 0 DEAEMP OCCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623367 792981197 /nfs/dbraw/zinc/98/11/97/792981197.db2.gz ZWKYYGZAPJUSIS-FHWLQOOXSA-N 2 1 318.461 2.028 10 0 DEAEMP CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716729476 793003269 /nfs/dbraw/zinc/00/32/69/793003269.db2.gz CIAYLWNORGRUIJ-UBDQQSCGSA-N 2 1 315.461 2.154 10 0 DEAEMP CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716729476 793003281 /nfs/dbraw/zinc/00/32/81/793003281.db2.gz CIAYLWNORGRUIJ-UBDQQSCGSA-N 2 1 315.461 2.154 10 0 DEAEMP CC(=O)N1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000078542616 1080638591 /nfs/dbraw/zinc/63/85/91/1080638591.db2.gz URHXXJJWYAAQBH-UHFFFAOYSA-N 2 1 315.461 2.035 10 0 DEAEMP CC(=O)N1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000078542616 1080638599 /nfs/dbraw/zinc/63/85/99/1080638599.db2.gz URHXXJJWYAAQBH-UHFFFAOYSA-N 2 1 315.461 2.035 10 0 DEAEMP C[NH2+]CCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000719669644 1092421487 /nfs/dbraw/zinc/42/14/87/1092421487.db2.gz YNFYFWHXNRLKBZ-MRXNPFEDSA-N 2 1 303.450 2.109 10 0 DEAEMP C[NH2+]CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000719669644 1092421496 /nfs/dbraw/zinc/42/14/96/1092421496.db2.gz YNFYFWHXNRLKBZ-MRXNPFEDSA-N 2 1 303.450 2.109 10 0 DEAEMP C[NH+](C)CCC[N@H+](C)Cc1ccc(N)c(Br)c1 ZINC000078899008 185125377 /nfs/dbraw/zinc/12/53/77/185125377.db2.gz HWQPWZPJBIBRCF-UHFFFAOYSA-N 2 1 300.244 2.415 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(N)c(Br)c1 ZINC000078899008 185125379 /nfs/dbraw/zinc/12/53/79/185125379.db2.gz HWQPWZPJBIBRCF-UHFFFAOYSA-N 2 1 300.244 2.415 10 0 DEAEMP CCOC(=O)[C@@](C)([NH3+])CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088435554 185250506 /nfs/dbraw/zinc/25/05/06/185250506.db2.gz XEHAGUKBVMNNPX-ZDUSSCGKSA-N 2 1 310.360 2.321 10 0 DEAEMP C[N@@H+](Cc1ccc(Br)cc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606687 185306538 /nfs/dbraw/zinc/30/65/38/185306538.db2.gz JNHFOMPYSYEHHB-KBPBESRZSA-N 2 1 313.239 2.245 10 0 DEAEMP CC(C)c1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1C ZINC000179703565 282231937 /nfs/dbraw/zinc/23/19/37/282231937.db2.gz DWBCIVCZXRESLI-UHFFFAOYSA-N 2 1 307.486 2.492 10 0 DEAEMP CN(C[C@@H]1CCC[N@H+]1C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000092625393 185329744 /nfs/dbraw/zinc/32/97/44/185329744.db2.gz JTLQAAJGAGMDHM-FZMZJTMJSA-N 2 1 301.356 2.130 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1C ZINC000189503974 282311777 /nfs/dbraw/zinc/31/17/77/282311777.db2.gz OOEKVSTZIXJJIW-GHMZBOCLSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1C ZINC000189503974 282311781 /nfs/dbraw/zinc/31/17/81/282311781.db2.gz OOEKVSTZIXJJIW-GHMZBOCLSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189503974 282311782 /nfs/dbraw/zinc/31/17/82/282311782.db2.gz OOEKVSTZIXJJIW-GHMZBOCLSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189503974 282311784 /nfs/dbraw/zinc/31/17/84/282311784.db2.gz OOEKVSTZIXJJIW-GHMZBOCLSA-N 2 1 300.340 2.318 10 0 DEAEMP CC(C)Cc1ncc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000162519798 539597976 /nfs/dbraw/zinc/59/79/76/539597976.db2.gz BRQGDHDRRBKELW-UHFFFAOYSA-N 2 1 324.538 2.459 10 0 DEAEMP C[NH2+][C@H](C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149595095 186052038 /nfs/dbraw/zinc/05/20/38/186052038.db2.gz YFIUIWAFSIIQHH-UKRRQHHQSA-N 2 1 311.857 2.245 10 0 DEAEMP C[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC000333523205 539962299 /nfs/dbraw/zinc/96/22/99/539962299.db2.gz GXEQXQMKQKFJQI-BHUNQDJPSA-N 2 1 316.449 2.001 10 0 DEAEMP C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333578308 539963707 /nfs/dbraw/zinc/96/37/07/539963707.db2.gz NHLUXHDGPQOIRM-XHSDSOJGSA-N 2 1 322.497 2.081 10 0 DEAEMP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3CO)CC2)c(C)c1 ZINC000169782039 355982630 /nfs/dbraw/zinc/98/26/30/355982630.db2.gz MMNXJAMUFWFBHY-GOSISDBHSA-N 2 1 302.462 2.440 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000180490563 199166311 /nfs/dbraw/zinc/16/63/11/199166311.db2.gz RJQNBVXBHLPOOF-KBXCAEBGSA-N 2 1 314.433 2.162 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180589405 199180476 /nfs/dbraw/zinc/18/04/76/199180476.db2.gz WKOHCONEJQIXMF-BBRMVZONSA-N 2 1 322.416 2.438 10 0 DEAEMP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262643031 296075383 /nfs/dbraw/zinc/07/53/83/296075383.db2.gz LVTMSQDBDHWQQK-NXHRZFHOSA-N 2 1 319.493 2.384 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000629571925 367256420 /nfs/dbraw/zinc/25/64/20/367256420.db2.gz TXDSSRLCBKFMLJ-UHFFFAOYSA-N 2 1 307.257 2.178 10 0 DEAEMP CC1(C)CC[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000631078292 368006107 /nfs/dbraw/zinc/00/61/07/368006107.db2.gz SOIDATWFVFZTES-PKOBYXMFSA-N 2 1 318.461 2.171 10 0 DEAEMP CC1(C)CC[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000631078292 368006113 /nfs/dbraw/zinc/00/61/13/368006113.db2.gz SOIDATWFVFZTES-PKOBYXMFSA-N 2 1 318.461 2.171 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)CC(C)C ZINC000105106301 194074893 /nfs/dbraw/zinc/07/48/93/194074893.db2.gz ULICFZWDUCXERB-QGZVFWFLSA-N 2 1 324.513 2.233 10 0 DEAEMP CC1CC[NH+](CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106431823 194213689 /nfs/dbraw/zinc/21/36/89/194213689.db2.gz JDNZULOLQRWZPV-SFHVURJKSA-N 2 1 317.477 2.007 10 0 DEAEMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106458402 194217355 /nfs/dbraw/zinc/21/73/55/194217355.db2.gz BQVHZRMLNLMZTC-FUHWJXTLSA-N 2 1 317.477 2.150 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106458402 194217357 /nfs/dbraw/zinc/21/73/57/194217357.db2.gz BQVHZRMLNLMZTC-FUHWJXTLSA-N 2 1 317.477 2.150 10 0 DEAEMP CCC[C@H](c1nc2c(s1)C[N@H+](CC)CC2)N1CC[NH2+]CC1 ZINC000109472740 194266784 /nfs/dbraw/zinc/26/67/84/194266784.db2.gz XUZIBBGAKCZHAH-CQSZACIVSA-N 2 1 308.495 2.268 10 0 DEAEMP CCC[C@H](c1nc2c(s1)C[N@@H+](CC)CC2)N1CC[NH2+]CC1 ZINC000109472740 194266785 /nfs/dbraw/zinc/26/67/85/194266785.db2.gz XUZIBBGAKCZHAH-CQSZACIVSA-N 2 1 308.495 2.268 10 0 DEAEMP C[NH+](C)[C@@H]1CCN(c2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000110278274 194318745 /nfs/dbraw/zinc/31/87/45/194318745.db2.gz DHEAYHUYPJGCJT-LLVKDONJSA-N 2 1 300.431 2.009 10 0 DEAEMP c1cc(C[N@H+]2CCCC3(CC[NH+](C[C@H]4CCCO4)CC3)C2)n[nH]1 ZINC000063526978 184284970 /nfs/dbraw/zinc/28/49/70/184284970.db2.gz XSGCMGQMXXYMNR-QGZVFWFLSA-N 2 1 318.465 2.267 10 0 DEAEMP c1cc(C[N@@H+]2CCCC3(CC[NH+](C[C@H]4CCCO4)CC3)C2)n[nH]1 ZINC000063526978 184284971 /nfs/dbraw/zinc/28/49/71/184284971.db2.gz XSGCMGQMXXYMNR-QGZVFWFLSA-N 2 1 318.465 2.267 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111836885 285231314 /nfs/dbraw/zinc/23/13/14/285231314.db2.gz ONOLCDLGBFVQTQ-QGZVFWFLSA-N 2 1 324.513 2.426 10 0 DEAEMP CCOC(=O)[C@]12C[N@H+](C(C)C)C[C@H]1C[NH+](CC1CC1)CCC2 ZINC000248177654 257107472 /nfs/dbraw/zinc/10/74/72/257107472.db2.gz WOUMJWAEUKKBLZ-SJLPKXTDSA-N 2 1 308.466 2.382 10 0 DEAEMP CCOC(=O)[C@]12C[NH+](C(C)C)C[C@H]1C[N@H+](CC1CC1)CCC2 ZINC000248177654 257107474 /nfs/dbraw/zinc/10/74/74/257107474.db2.gz WOUMJWAEUKKBLZ-SJLPKXTDSA-N 2 1 308.466 2.382 10 0 DEAEMP CCOC(=O)[C@]12C[NH+](C(C)C)C[C@H]1C[N@@H+](CC1CC1)CCC2 ZINC000248177654 257107476 /nfs/dbraw/zinc/10/74/76/257107476.db2.gz WOUMJWAEUKKBLZ-SJLPKXTDSA-N 2 1 308.466 2.382 10 0 DEAEMP CC[C@H]1CN(Cc2cnc3c(C)cccn23)CC[N@H+]1CCOC ZINC000120950421 195270196 /nfs/dbraw/zinc/27/01/96/195270196.db2.gz VORGCJGCSSFQRS-INIZCTEOSA-N 2 1 316.449 2.185 10 0 DEAEMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121142410 195298330 /nfs/dbraw/zinc/29/83/30/195298330.db2.gz PFFSDSFDNVSXSV-ILXRZTDVSA-N 2 1 312.502 2.087 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000358188805 133127050 /nfs/dbraw/zinc/12/70/50/133127050.db2.gz LSWPJPIKFSVDFK-KRWDZBQOSA-N 2 1 322.497 2.058 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000247187244 145129207 /nfs/dbraw/zinc/12/92/07/145129207.db2.gz WGLOVZNKDYYPRO-XIRDDKMYSA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000247187244 145129208 /nfs/dbraw/zinc/12/92/08/145129208.db2.gz WGLOVZNKDYYPRO-XIRDDKMYSA-N 2 1 318.465 2.351 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000247269525 145131497 /nfs/dbraw/zinc/13/14/97/145131497.db2.gz JVSGPABIGGJRKC-IAGOWNOFSA-N 2 1 324.513 2.136 10 0 DEAEMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249885013 145191316 /nfs/dbraw/zinc/19/13/16/145191316.db2.gz OTRKVVRORDNKHV-CABCVRRESA-N 2 1 304.438 2.039 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000252648877 145199900 /nfs/dbraw/zinc/19/99/00/145199900.db2.gz NLBMRGDFIXLMAD-CVEARBPZSA-N 2 1 318.465 2.482 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000252648877 145199901 /nfs/dbraw/zinc/19/99/01/145199901.db2.gz NLBMRGDFIXLMAD-CVEARBPZSA-N 2 1 318.465 2.482 10 0 DEAEMP CC1(C)C[N@@H+](CCC(=O)N2CCc3sccc3C2)CC[C@H]1[NH3+] ZINC000261696630 145217884 /nfs/dbraw/zinc/21/78/84/145217884.db2.gz HVWZDKOJEIANBZ-OAHLLOKOSA-N 2 1 321.490 2.082 10 0 DEAEMP C[N@@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)N ZINC000261760631 145223597 /nfs/dbraw/zinc/22/35/97/145223597.db2.gz CVYFVHHJAUGKAE-SFHVURJKSA-N 2 1 319.493 2.101 10 0 DEAEMP CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)CC(C)(C)[NH3+] ZINC000261760631 145223600 /nfs/dbraw/zinc/22/36/00/145223600.db2.gz CVYFVHHJAUGKAE-SFHVURJKSA-N 2 1 319.493 2.101 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(Cl)c1 ZINC000261857108 145234684 /nfs/dbraw/zinc/23/46/84/145234684.db2.gz BSVCZDKNFLCIIL-WCXIOVBPSA-N 2 1 324.852 2.120 10 0 DEAEMP CC(C)[N@H+]1CCc2nc(CN3CC[C@@H]([NH3+])C(C)(C)C3)sc2C1 ZINC000261918204 145241541 /nfs/dbraw/zinc/24/15/41/145241541.db2.gz YJRNCSKLLKHSFS-OAHLLOKOSA-N 2 1 322.522 2.469 10 0 DEAEMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261961623 145247358 /nfs/dbraw/zinc/24/73/58/145247358.db2.gz PQYPASYQXMKVFS-RCCFBDPRSA-N 2 1 300.446 2.465 10 0 DEAEMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262005608 145252124 /nfs/dbraw/zinc/25/21/24/145252124.db2.gz UYSSFFKPKDYILY-BBWFWOEESA-N 2 1 324.852 2.466 10 0 DEAEMP Fc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262016250 145253809 /nfs/dbraw/zinc/25/38/09/145253809.db2.gz WAUQMYKMJNZLBK-DJIMGWMZSA-N 2 1 310.388 2.254 10 0 DEAEMP Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262053914 145257566 /nfs/dbraw/zinc/25/75/66/145257566.db2.gz ZXVGACKZLKXNCW-KBRIMQKVSA-N 2 1 310.388 2.254 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000370763363 148053645 /nfs/dbraw/zinc/05/36/45/148053645.db2.gz JPUHYTYEZTXYNY-SJORKVTESA-N 2 1 303.450 2.142 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000112698127 401754603 /nfs/dbraw/zinc/75/46/03/401754603.db2.gz PNGIHJDBFBLABM-UHFFFAOYSA-N 2 1 309.498 2.299 10 0 DEAEMP CCC[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635622 401949028 /nfs/dbraw/zinc/94/90/28/401949028.db2.gz RQFIIIDGELAAAR-UKRRQHHQSA-N 2 1 323.506 2.341 10 0 DEAEMP CCC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635622 401949029 /nfs/dbraw/zinc/94/90/29/401949029.db2.gz RQFIIIDGELAAAR-UKRRQHHQSA-N 2 1 323.506 2.341 10 0 DEAEMP CCOc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123026528 402106530 /nfs/dbraw/zinc/10/65/30/402106530.db2.gz ANHVNIWMLQAQCT-CABCVRRESA-N 2 1 319.449 2.438 10 0 DEAEMP C(C[NH+]1CCCCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000125166509 402217343 /nfs/dbraw/zinc/21/73/43/402217343.db2.gz NZSSLGBIJTWEMM-SFHVURJKSA-N 2 1 309.498 2.049 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@@H+]1C ZINC000177127180 402372160 /nfs/dbraw/zinc/37/21/60/402372160.db2.gz PDRBTXNRRAJLAP-OCCSQVGLSA-N 2 1 322.428 2.151 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@H+]1C ZINC000177127180 402372162 /nfs/dbraw/zinc/37/21/62/402372162.db2.gz PDRBTXNRRAJLAP-OCCSQVGLSA-N 2 1 322.428 2.151 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1C ZINC000177127180 402372163 /nfs/dbraw/zinc/37/21/63/402372163.db2.gz PDRBTXNRRAJLAP-OCCSQVGLSA-N 2 1 322.428 2.151 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1C ZINC000177127180 402372167 /nfs/dbraw/zinc/37/21/67/402372167.db2.gz PDRBTXNRRAJLAP-OCCSQVGLSA-N 2 1 322.428 2.151 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000236801456 402383037 /nfs/dbraw/zinc/38/30/37/402383037.db2.gz URCJTKWSGVGMJM-QZWWFDLISA-N 2 1 307.482 2.001 10 0 DEAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000178326936 402485227 /nfs/dbraw/zinc/48/52/27/402485227.db2.gz DPLLVNGNUNEISV-UXLLHSPISA-N 2 1 318.465 2.445 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000178326936 402485233 /nfs/dbraw/zinc/48/52/33/402485233.db2.gz DPLLVNGNUNEISV-UXLLHSPISA-N 2 1 318.465 2.445 10 0 DEAEMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000245852681 402491198 /nfs/dbraw/zinc/49/11/98/402491198.db2.gz MVWKJANQQVDEEC-SJORKVTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000245852681 402491202 /nfs/dbraw/zinc/49/12/02/402491202.db2.gz MVWKJANQQVDEEC-SJORKVTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000245852681 402491203 /nfs/dbraw/zinc/49/12/03/402491203.db2.gz MVWKJANQQVDEEC-SJORKVTESA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000245852681 402491207 /nfs/dbraw/zinc/49/12/07/402491207.db2.gz MVWKJANQQVDEEC-SJORKVTESA-N 2 1 303.450 2.280 10 0 DEAEMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247114303 402557470 /nfs/dbraw/zinc/55/74/70/402557470.db2.gz PILFPXYEBTWCEA-JYJNAYRXSA-N 2 1 303.450 2.346 10 0 DEAEMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247114303 402557473 /nfs/dbraw/zinc/55/74/73/402557473.db2.gz PILFPXYEBTWCEA-JYJNAYRXSA-N 2 1 303.450 2.346 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000249767637 402641107 /nfs/dbraw/zinc/64/11/07/402641107.db2.gz QJAIYFFWRNMCSF-DLBZAZTESA-N 2 1 324.513 2.280 10 0 DEAEMP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000249978290 402643920 /nfs/dbraw/zinc/64/39/20/402643920.db2.gz YKXSLYHCEBAZSL-HOTGVXAUSA-N 2 1 306.450 2.279 10 0 DEAEMP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000249978290 402643922 /nfs/dbraw/zinc/64/39/22/402643922.db2.gz YKXSLYHCEBAZSL-HOTGVXAUSA-N 2 1 306.450 2.279 10 0 DEAEMP COc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261788774 402717828 /nfs/dbraw/zinc/71/78/28/402717828.db2.gz SUHLLYYTDSAUOW-HNNXBMFYSA-N 2 1 317.433 2.098 10 0 DEAEMP C[C@]1(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901772 402719312 /nfs/dbraw/zinc/71/93/12/402719312.db2.gz WGFZUQNITZPHHK-QAPCUYQASA-N 2 1 317.481 2.184 10 0 DEAEMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000261922052 402719548 /nfs/dbraw/zinc/71/95/48/402719548.db2.gz KLANFZKMQQRZSK-QRVBRYPASA-N 2 1 300.446 2.148 10 0 DEAEMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000175106233 402779859 /nfs/dbraw/zinc/77/98/59/402779859.db2.gz PBHJAFANJMCARD-RHSMWYFYSA-N 2 1 303.450 2.303 10 0 DEAEMP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000194675280 402809947 /nfs/dbraw/zinc/80/99/47/402809947.db2.gz YSXBVYRQNVEXKB-UHFFFAOYSA-N 2 1 324.513 2.378 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)C2CCCCC2)[C@H](C)C1 ZINC000175731463 402827332 /nfs/dbraw/zinc/82/73/32/402827332.db2.gz AVJCUJHWLPKEKA-NVXWUHKLSA-N 2 1 309.498 2.440 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000194150215 402785689 /nfs/dbraw/zinc/78/56/89/402785689.db2.gz MBLUJHDPYHZQKU-QGZVFWFLSA-N 2 1 318.465 2.032 10 0 DEAEMP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516103 402849488 /nfs/dbraw/zinc/84/94/88/402849488.db2.gz IZNZTKDCPARKBS-UKRRQHHQSA-N 2 1 304.438 2.039 10 0 DEAEMP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309702696 403962138 /nfs/dbraw/zinc/96/21/38/403962138.db2.gz GTJVSIVCGPOZQT-ROUUACIJSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000377571365 404839510 /nfs/dbraw/zinc/83/95/10/404839510.db2.gz KCDZGPRNICMHSE-ZMSDIMECSA-N 2 1 303.450 2.011 10 0 DEAEMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390717206 405047722 /nfs/dbraw/zinc/04/77/22/405047722.db2.gz CWVWWSXGUPKUIG-QZTJIDSGSA-N 2 1 315.461 2.157 10 0 DEAEMP CN(C)c1ncc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)n1C ZINC000425333121 405274557 /nfs/dbraw/zinc/27/45/57/405274557.db2.gz FIDBDYSNKSCVQD-MRXNPFEDSA-N 2 1 306.454 2.410 10 0 DEAEMP CC(C)[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638511854 405518410 /nfs/dbraw/zinc/51/84/10/405518410.db2.gz CCAVIWHVOOYSPG-FUHWJXTLSA-N 2 1 317.477 2.483 10 0 DEAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000531501554 405968659 /nfs/dbraw/zinc/96/86/59/405968659.db2.gz YBIOKVYAMJCPKU-CQSZACIVSA-N 2 1 319.453 2.029 10 0 DEAEMP c1sc(CC[NH2+]CC23CC(C2)C[NH2+]3)nc1-c1ccccn1 ZINC000634996217 406390770 /nfs/dbraw/zinc/39/07/70/406390770.db2.gz DCWULMOGHKUFNH-UHFFFAOYSA-N 2 1 300.431 2.089 10 0 DEAEMP CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638081427 406560006 /nfs/dbraw/zinc/56/00/06/406560006.db2.gz YUNHSAUXRIBHSY-DOTOQJQBSA-N 2 1 303.450 2.155 10 0 DEAEMP C[C@H]1CCCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637986934 406510045 /nfs/dbraw/zinc/51/00/45/406510045.db2.gz MTKNDCXGKDBVKY-INIZCTEOSA-N 2 1 315.461 2.381 10 0 DEAEMP C[C@@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306472 406687588 /nfs/dbraw/zinc/68/75/88/406687588.db2.gz CZBROMHKSHCRPU-CRAIPNDOSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000638424745 406765518 /nfs/dbraw/zinc/76/55/18/406765518.db2.gz FDFSFZHWFZSWJP-DOTOQJQBSA-N 2 1 315.461 2.142 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246696335 287052164 /nfs/dbraw/zinc/05/21/64/287052164.db2.gz XNBIQCSNTROXQL-HZPDHXFCSA-N 2 1 324.513 2.233 10 0 DEAEMP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876262 424849234 /nfs/dbraw/zinc/84/92/34/424849234.db2.gz LYNOYHUVBZCXJA-CQSZACIVSA-N 2 1 320.481 2.368 10 0 DEAEMP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390775600 424917922 /nfs/dbraw/zinc/91/79/22/424917922.db2.gz MRIDKQYILKLNCK-DOTOQJQBSA-N 2 1 303.450 2.013 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000401795141 424923961 /nfs/dbraw/zinc/92/39/61/424923961.db2.gz DZHRFUQCNCSDRN-LPHOPBHVSA-N 3 1 301.478 2.486 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425657 424932802 /nfs/dbraw/zinc/93/28/02/424932802.db2.gz KDEWXNXHZAZUDN-MSOLQXFVSA-N 2 1 315.461 2.155 10 0 DEAEMP CNC(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000257196185 424888889 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10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000183691324 282306881 /nfs/dbraw/zinc/30/68/81/282306881.db2.gz RFAWQAJUUOHTEX-UHFFFAOYSA-N 2 1 316.449 2.238 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000183691324 282306882 /nfs/dbraw/zinc/30/68/82/282306882.db2.gz RFAWQAJUUOHTEX-UHFFFAOYSA-N 2 1 316.449 2.238 10 0 DEAEMP C[N@H+](C1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000147734080 186041560 /nfs/dbraw/zinc/04/15/60/186041560.db2.gz HXNDIJITFTYKML-PIMMBPRGSA-N 2 1 308.447 2.107 10 0 DEAEMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000147734080 186041561 /nfs/dbraw/zinc/04/15/61/186041561.db2.gz HXNDIJITFTYKML-PIMMBPRGSA-N 2 1 308.447 2.107 10 0 DEAEMP C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149583571 186051133 /nfs/dbraw/zinc/05/11/33/186051133.db2.gz MJRSPINNRPJKBO-LSDHHAIUSA-N 2 1 313.848 2.246 10 0 DEAEMP CCC[NH2+][C@H](C)c1sc(C[C@@H]2C[N@H+](C)CCN2C)nc1C ZINC000149766243 186052701 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C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755767 539878971 /nfs/dbraw/zinc/87/89/71/539878971.db2.gz WZJJYDHLQQEHKH-MJGOQNOKSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382727580 540123504 /nfs/dbraw/zinc/12/35/04/540123504.db2.gz WCJZPFPPVDQKOQ-AEFFLSMTSA-N 2 1 317.477 2.483 10 0 DEAEMP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000182695647 356140698 /nfs/dbraw/zinc/14/06/98/356140698.db2.gz NCVZOYDRTZXAPJ-ZACQAIPSSA-N 2 1 324.513 2.375 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458168 283156860 /nfs/dbraw/zinc/15/68/60/283156860.db2.gz SXVYDJLVBROAAS-ZFWWWQNUSA-N 2 1 322.453 2.427 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400458161 283157148 /nfs/dbraw/zinc/15/71/48/283157148.db2.gz SXVYDJLVBROAAS-DZGCQCFKSA-N 2 1 322.453 2.427 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2F)CC1 ZINC000179517818 199048848 /nfs/dbraw/zinc/04/88/48/199048848.db2.gz VAHWNKDXSAXMHR-ZDUSSCGKSA-N 2 1 312.404 2.489 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2F)CC1 ZINC000179517818 199048850 /nfs/dbraw/zinc/04/88/50/199048850.db2.gz VAHWNKDXSAXMHR-ZDUSSCGKSA-N 2 1 312.404 2.489 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000093142277 193207351 /nfs/dbraw/zinc/20/73/51/193207351.db2.gz SVRMGPHBYQTHRB-SFHVURJKSA-N 2 1 319.493 2.219 10 0 DEAEMP CC[NH2+][C@H](CC[NH+](CC)CC)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642946 193388871 /nfs/dbraw/zinc/38/88/71/193388871.db2.gz NXBNSIOCQYFYBR-OWCLPIDISA-N 2 1 318.527 2.300 10 0 DEAEMP CCC[NH2+][C@H]1[C@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429262 193368428 /nfs/dbraw/zinc/36/84/28/193368428.db2.gz ORDQFFAOXYLHLO-GJZGRUSLSA-N 2 1 300.487 2.261 10 0 DEAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000020217710 182198147 /nfs/dbraw/zinc/19/81/47/182198147.db2.gz ZEGANCFQYMNZMZ-JTQLQIEISA-N 2 1 318.284 2.148 10 0 DEAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105148446 194079499 /nfs/dbraw/zinc/07/94/99/194079499.db2.gz HJIZELSLEVDGPK-HNNXBMFYSA-N 2 1 312.502 2.136 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC000105862429 194150578 /nfs/dbraw/zinc/15/05/78/194150578.db2.gz ZCBVAAOAJKKSNA-ZDUSSCGKSA-N 2 1 312.404 2.489 10 0 DEAEMP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106458432 194216971 /nfs/dbraw/zinc/21/69/71/194216971.db2.gz YUCFDCOSKSMKLR-FUHWJXTLSA-N 2 1 317.477 2.007 10 0 DEAEMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106458432 194216972 /nfs/dbraw/zinc/21/69/72/194216972.db2.gz YUCFDCOSKSMKLR-FUHWJXTLSA-N 2 1 317.477 2.007 10 0 DEAEMP CC[C@H](c1nc2c(s1)C[N@H+](C(C)C)CC2)N1CC[NH2+]CC1 ZINC000109472534 194267123 /nfs/dbraw/zinc/26/71/23/194267123.db2.gz ZHCXBBLMCMGAJC-CQSZACIVSA-N 2 1 308.495 2.266 10 0 DEAEMP CC[C@@H]1CN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000110710300 194353604 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QJSLJHZIADAUNC-ROUUACIJSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cncc(C[N@@H+]2CCO[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)c1 ZINC000253591776 257105196 /nfs/dbraw/zinc/10/51/96/257105196.db2.gz QJSLJHZIADAUNC-ROUUACIJSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cncc(C[N@H+]2CCO[C@H]3C[NH+](CC4CC4)CC[C@H]3C2)c1 ZINC000253591776 257105197 /nfs/dbraw/zinc/10/51/97/257105197.db2.gz QJSLJHZIADAUNC-ROUUACIJSA-N 2 1 301.434 2.014 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261994024 285355850 /nfs/dbraw/zinc/35/58/50/285355850.db2.gz TUXDRXFBKUQVOM-YLFCFFPRSA-N 2 1 324.852 2.120 10 0 DEAEMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121142110 195298460 /nfs/dbraw/zinc/29/84/60/195298460.db2.gz PFFSDSFDNVSXSV-QLFBSQMISA-N 2 1 312.502 2.087 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671545 133194156 /nfs/dbraw/zinc/19/41/56/133194156.db2.gz LHMHLZLIKKJXCC-LPHOPBHVSA-N 2 1 315.461 2.411 10 0 DEAEMP CC(C)[C@](C)(O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248580046 145159537 /nfs/dbraw/zinc/15/95/37/145159537.db2.gz VMTGZMMLOZPTIN-SOLBZPMBSA-N 2 1 312.498 2.215 10 0 DEAEMP OC1(c2cccnc2)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248654274 145163439 /nfs/dbraw/zinc/16/34/39/145163439.db2.gz ZJEDPERKRXKVGZ-IAFLDTSXSA-N 2 1 315.461 2.428 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261545472 145206878 /nfs/dbraw/zinc/20/68/78/145206878.db2.gz KBSKPSJORUVOTR-RDJZCZTQSA-N 2 1 303.450 2.155 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261683388 145216437 /nfs/dbraw/zinc/21/64/37/145216437.db2.gz HCLXSKGZODZWPQ-RRFJBIMHSA-N 2 1 304.438 2.127 10 0 DEAEMP c1nc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000261701654 145218518 /nfs/dbraw/zinc/21/85/18/145218518.db2.gz IAYJKWOMBOXDDT-MRXNPFEDSA-N 2 1 302.466 2.398 10 0 DEAEMP C[C@@]1(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261910192 145240119 /nfs/dbraw/zinc/24/01/19/145240119.db2.gz YAKGMZQEFDIZII-GOSISDBHSA-N 2 1 307.482 2.101 10 0 DEAEMP C[C@@]1(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC[NH2+]C1 ZINC000261910192 145240122 /nfs/dbraw/zinc/24/01/22/145240122.db2.gz YAKGMZQEFDIZII-GOSISDBHSA-N 2 1 307.482 2.101 10 0 DEAEMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261906990 145240418 /nfs/dbraw/zinc/24/04/18/145240418.db2.gz IKYRTAYYZCVYLF-ZNMIVQPWSA-N 2 1 309.479 2.049 10 0 DEAEMP C[C@]1(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)CC[NH2+]C1 ZINC000261918921 145241473 /nfs/dbraw/zinc/24/14/73/145241473.db2.gz BLSSZZDOWHXWGN-APWZRJJASA-N 2 1 315.461 2.128 10 0 DEAEMP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261952247 145246563 /nfs/dbraw/zinc/24/65/63/145246563.db2.gz OMQZXLNQPGOWPT-ZACQAIPSSA-N 2 1 304.434 2.121 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N(C)c1ccccc1 ZINC000262029011 145254376 /nfs/dbraw/zinc/25/43/76/145254376.db2.gz XHHXQVWMAKWGBZ-LULLPPNCSA-N 2 1 317.477 2.258 10 0 DEAEMP CCOc1c(Cl)cc(C[NH2+]CCC[NH2+]CCO)cc1Cl ZINC000013733319 401803871 /nfs/dbraw/zinc/80/38/71/401803871.db2.gz DRMFUNZDUIZLBI-UHFFFAOYSA-N 2 1 321.248 2.454 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1C ZINC000123211090 402115918 /nfs/dbraw/zinc/11/59/18/402115918.db2.gz LTLAFSBOPROUNZ-WBVHZDCISA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1C ZINC000123211090 402115921 /nfs/dbraw/zinc/11/59/21/402115921.db2.gz LTLAFSBOPROUNZ-WBVHZDCISA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123211090 402115923 /nfs/dbraw/zinc/11/59/23/402115923.db2.gz LTLAFSBOPROUNZ-WBVHZDCISA-N 2 1 315.461 2.380 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1C ZINC000123211090 402115926 /nfs/dbraw/zinc/11/59/26/402115926.db2.gz LTLAFSBOPROUNZ-WBVHZDCISA-N 2 1 315.461 2.380 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101668932 402153744 /nfs/dbraw/zinc/15/37/44/402153744.db2.gz NDCDGKJYQJMSDR-OWCLPIDISA-N 2 1 309.498 2.486 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878328 402236991 /nfs/dbraw/zinc/23/69/91/402236991.db2.gz CRTALKUFTSYMPK-RDJZCZTQSA-N 2 1 305.466 2.353 10 0 DEAEMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000124995254 402208210 /nfs/dbraw/zinc/20/82/10/402208210.db2.gz IUGJUZPVNPXGEZ-QZTJIDSGSA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000156797683 402288359 /nfs/dbraw/zinc/28/83/59/402288359.db2.gz ULKQZLLFJGDDQD-ZFWWWQNUSA-N 2 1 324.513 2.324 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000177222583 402383440 /nfs/dbraw/zinc/38/34/40/402383440.db2.gz LTOSSVRDPHXDHS-DOTOQJQBSA-N 2 1 318.465 2.447 10 0 DEAEMP CC(C)c1[nH+]ccn1CCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186539738 402440085 /nfs/dbraw/zinc/44/00/85/402440085.db2.gz GMHYCRAQCQKSKG-AWEZNQCLSA-N 2 1 304.438 2.140 10 0 DEAEMP CC[N@@H+](CC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000246195972 402517774 /nfs/dbraw/zinc/51/77/74/402517774.db2.gz ACTYOUVBBRAXNR-WBVHZDCISA-N 2 1 315.461 2.250 10 0 DEAEMP CC[NH+](CC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000246195972 402517778 /nfs/dbraw/zinc/51/77/78/402517778.db2.gz ACTYOUVBBRAXNR-WBVHZDCISA-N 2 1 315.461 2.250 10 0 DEAEMP CC[NH+](CC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000246195972 402517779 /nfs/dbraw/zinc/51/77/79/402517779.db2.gz ACTYOUVBBRAXNR-WBVHZDCISA-N 2 1 315.461 2.250 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246197594 402518160 /nfs/dbraw/zinc/51/81/60/402518160.db2.gz DPLHDTFAWHGAPA-RCCFBDPRSA-N 2 1 315.461 2.094 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246570473 402537301 /nfs/dbraw/zinc/53/73/01/402537301.db2.gz YLIPSFHFKLZDPK-BBWFWOEESA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@H]1C[C@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000179743387 402599496 /nfs/dbraw/zinc/59/94/96/402599496.db2.gz ULZVKVHXZCHWBT-LSDHHAIUSA-N 2 1 318.465 2.449 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCO3)CC1 ZINC000171929623 402633837 /nfs/dbraw/zinc/63/38/37/402633837.db2.gz PTQBQRONXVTDAR-OAHLLOKOSA-N 2 1 318.461 2.146 10 0 DEAEMP COCC[N@H+](CCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261769329 402717217 /nfs/dbraw/zinc/71/72/17/402717217.db2.gz MNGSSAMAKQPGQG-QGZVFWFLSA-N 2 1 310.413 2.153 10 0 DEAEMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261769329 402717218 /nfs/dbraw/zinc/71/72/18/402717218.db2.gz MNGSSAMAKQPGQG-QGZVFWFLSA-N 2 1 310.413 2.153 10 0 DEAEMP Cc1cccnc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182564121 402700157 /nfs/dbraw/zinc/70/01/57/402700157.db2.gz YSPJFCDUJZVJGB-JWTNVVGKSA-N 2 1 314.477 2.133 10 0 DEAEMP Cc1cccnc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182564121 402700161 /nfs/dbraw/zinc/70/01/61/402700161.db2.gz YSPJFCDUJZVJGB-JWTNVVGKSA-N 2 1 314.477 2.133 10 0 DEAEMP CC(C)c1ccc([C@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261969970 402720871 /nfs/dbraw/zinc/72/08/71/402720871.db2.gz PYAFPQCNGGDNGC-HNNXBMFYSA-N 2 1 303.450 2.235 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263289711 402754733 /nfs/dbraw/zinc/75/47/33/402754733.db2.gz LHPKXUWPUGPQPH-GASCZTMLSA-N 2 1 315.461 2.000 10 0 DEAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174745691 402755208 /nfs/dbraw/zinc/75/52/08/402755208.db2.gz HCIVTRSFWWNORE-IKGGRYGDSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000174745691 402755210 /nfs/dbraw/zinc/75/52/10/402755210.db2.gz HCIVTRSFWWNORE-IKGGRYGDSA-N 2 1 324.513 2.231 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000174745691 402755212 /nfs/dbraw/zinc/75/52/12/402755212.db2.gz HCIVTRSFWWNORE-IKGGRYGDSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720902 402826447 /nfs/dbraw/zinc/82/64/47/402826447.db2.gz YIRRGRMDFFYJHQ-PBHICJAKSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720902 402826449 /nfs/dbraw/zinc/82/64/49/402826449.db2.gz YIRRGRMDFFYJHQ-PBHICJAKSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720902 402826452 /nfs/dbraw/zinc/82/64/52/402826452.db2.gz YIRRGRMDFFYJHQ-PBHICJAKSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516250 402849331 /nfs/dbraw/zinc/84/93/31/402849331.db2.gz GSFDMQXPJKZFEL-NUEKZKHPSA-N 2 1 318.465 2.427 10 0 DEAEMP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2cc(F)ccc2[nH+]1 ZINC000301717893 403669080 /nfs/dbraw/zinc/66/90/80/403669080.db2.gz OGCUVRDVLSXOSR-SJORKVTESA-N 2 1 301.365 2.202 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000358660987 404770778 /nfs/dbraw/zinc/77/07/78/404770778.db2.gz HHZQSEHAGACRBL-MRXNPFEDSA-N 2 1 322.497 2.010 10 0 DEAEMP c1nnc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364359 405333370 /nfs/dbraw/zinc/33/33/70/405333370.db2.gz QPLDKAXPOFIWAK-LSDHHAIUSA-N 2 1 303.454 2.182 10 0 DEAEMP C1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2(C1)CCOCC2 ZINC000423512399 405833389 /nfs/dbraw/zinc/83/33/89/405833389.db2.gz QETWUEAHTQNLES-ABHNRTSZSA-N 2 1 321.509 2.142 10 0 DEAEMP Cn1ncc(Br)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459796025 406051139 /nfs/dbraw/zinc/05/11/39/406051139.db2.gz VXVMDJBQRXFCMW-LLVKDONJSA-N 2 1 315.259 2.004 10 0 DEAEMP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000635001116 406393870 /nfs/dbraw/zinc/39/38/70/406393870.db2.gz HHKWXPGZBYCUSN-RHZVONIJSA-N 2 1 319.246 2.429 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000635005334 406397463 /nfs/dbraw/zinc/39/74/63/406397463.db2.gz UQLOOKUJQUIVMV-BHIYHBOVSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635005334 406397467 /nfs/dbraw/zinc/39/74/67/406397467.db2.gz UQLOOKUJQUIVMV-BHIYHBOVSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635005334 406397472 /nfs/dbraw/zinc/39/74/72/406397472.db2.gz UQLOOKUJQUIVMV-BHIYHBOVSA-N 3 1 301.478 2.486 10 0 DEAEMP [NH3+]C1(CC(=O)Nc2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000638046824 406542673 /nfs/dbraw/zinc/54/26/73/406542673.db2.gz FZADSVAFJHLGJU-UHFFFAOYSA-N 2 1 324.428 2.404 10 0 DEAEMP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638079418 406558871 /nfs/dbraw/zinc/55/88/71/406558871.db2.gz DFZLIRBFPMSLQC-SJLPKXTDSA-N 2 1 313.445 2.062 10 0 DEAEMP C[C@H](NC(=O)CCC1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638306473 406688552 /nfs/dbraw/zinc/68/85/52/406688552.db2.gz CZBROMHKSHCRPU-MAUKXSAKSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962800 287345030 /nfs/dbraw/zinc/34/50/30/287345030.db2.gz PSBSHNKOCUNRSM-XMTFNYHQSA-N 2 1 323.525 2.244 10 0 DEAEMP c1ccc2nc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422704071 230170452 /nfs/dbraw/zinc/17/04/52/230170452.db2.gz OMEXSUNKYDCSRY-NZSAHSFTSA-N 2 1 311.429 2.482 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398030050 424922041 /nfs/dbraw/zinc/92/20/41/424922041.db2.gz GEXGMBFRZXHPBN-BHYGNILZSA-N 2 1 303.450 2.139 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398073568 269108498 /nfs/dbraw/zinc/10/84/98/269108498.db2.gz DZQYHLYNMGHBCL-NEWSRXKRSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398073568 269108499 /nfs/dbraw/zinc/10/84/99/269108499.db2.gz DZQYHLYNMGHBCL-NEWSRXKRSA-N 3 1 319.493 2.241 10 0 DEAEMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000249085910 274379825 /nfs/dbraw/zinc/37/98/25/274379825.db2.gz IUVVEARASCPDTC-NEWSRXKRSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000249085910 274379829 /nfs/dbraw/zinc/37/98/29/274379829.db2.gz IUVVEARASCPDTC-NEWSRXKRSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183536238 298661016 /nfs/dbraw/zinc/66/10/16/298661016.db2.gz CFZGHEALGYOXHP-RBSFLKMASA-N 2 1 318.465 2.244 10 0 DEAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262672373 536403321 /nfs/dbraw/zinc/40/33/21/536403321.db2.gz PHOKPSAWWDVGER-TWMKSMIVSA-N 2 1 307.482 2.240 10 0 DEAEMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261828743 536761976 /nfs/dbraw/zinc/76/19/76/536761976.db2.gz YNJFYHNEUPBLRC-OAHLLOKOSA-N 2 1 305.422 2.083 10 0 DEAEMP NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299740780 563938540 /nfs/dbraw/zinc/93/85/40/563938540.db2.gz BSDBPGZMNFATQQ-CRAIPNDOSA-N 2 1 324.428 2.235 10 0 DEAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3N[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000399708909 635782526 /nfs/dbraw/zinc/78/25/26/635782526.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 2 1 311.473 2.333 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3N[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000399708909 635782532 /nfs/dbraw/zinc/78/25/32/635782532.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 2 1 311.473 2.333 10 0 DEAEMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000399708909 635782536 /nfs/dbraw/zinc/78/25/36/635782536.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 2 1 311.473 2.333 10 0 DEAEMP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000399708909 635782539 /nfs/dbraw/zinc/78/25/39/635782539.db2.gz XECORZRVVDNSAQ-JTUYAUNFSA-N 2 1 311.473 2.333 10 0 DEAEMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000229081502 646665749 /nfs/dbraw/zinc/66/57/49/646665749.db2.gz MYTOSQWBMFBSLM-HIFRSBDPSA-N 2 1 311.470 2.364 10 0 DEAEMP CN1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000723583742 777128152 /nfs/dbraw/zinc/12/81/52/777128152.db2.gz WKTIBLHHQFHKIL-KRWDZBQOSA-N 2 1 315.461 2.109 10 0 DEAEMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713005415 792212732 /nfs/dbraw/zinc/21/27/32/792212732.db2.gz UAXYWJYZMXDZCX-IAGOWNOFSA-N 2 1 317.477 2.387 10 0 DEAEMP COCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623241 792981330 /nfs/dbraw/zinc/98/13/30/792981330.db2.gz YXAKLIFTPGCITK-OTWHNJEPSA-N 2 1 318.461 2.292 10 0 DEAEMP CNC(=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716678577 792984548 /nfs/dbraw/zinc/98/45/48/792984548.db2.gz KZRDOCAYADVDES-KSZLIROESA-N 2 1 315.461 2.155 10 0 DEAEMP COc1cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc2c1OCO2 ZINC000188415171 539682326 /nfs/dbraw/zinc/68/23/26/539682326.db2.gz IRMPPCCTXDCQMQ-AWEZNQCLSA-N 2 1 315.373 2.285 10 0 DEAEMP c1nc(C2CC2)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415046997 540158759 /nfs/dbraw/zinc/15/87/59/540158759.db2.gz DGMZPGMIFZGPGD-UHFFFAOYSA-N 2 1 320.506 2.327 10 0 DEAEMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000169790004 355984613 /nfs/dbraw/zinc/98/46/13/355984613.db2.gz RVVJSKMKYMYDIH-KRWDZBQOSA-N 2 1 320.481 2.254 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236911696 202066931 /nfs/dbraw/zinc/06/69/31/202066931.db2.gz KHDMYCQSUSUALX-YVSFHVDLSA-N 2 1 307.482 2.288 10 0 DEAEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449086482 240032357 /nfs/dbraw/zinc/03/23/57/240032357.db2.gz BQNHLBSYVZRCNV-HNNXBMFYSA-N 2 1 314.433 2.312 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449086482 240032378 /nfs/dbraw/zinc/03/23/78/240032378.db2.gz BQNHLBSYVZRCNV-HNNXBMFYSA-N 2 1 314.433 2.312 10 0 DEAEMP COCC[NH2+]CC1(C[N@@H+](C)CC(C)(C)O)CCC(C)CC1 ZINC000092982819 193191622 /nfs/dbraw/zinc/19/16/22/193191622.db2.gz HHMGZPXJMJKUKT-UHFFFAOYSA-N 2 1 300.487 2.122 10 0 DEAEMP [NH3+]C[C@@H](c1ccc(Br)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094457596 193371096 /nfs/dbraw/zinc/37/10/96/193371096.db2.gz HUWLHTGLINCWMR-CABCVRRESA-N 2 1 324.266 2.229 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355046 245090753 /nfs/dbraw/zinc/09/07/53/245090753.db2.gz HFKDGSRGIOYKCO-BZZMCLGOSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355046 245090762 /nfs/dbraw/zinc/09/07/62/245090762.db2.gz HFKDGSRGIOYKCO-BZZMCLGOSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)s2)CC[N@@H+]1C ZINC000110701645 194351889 /nfs/dbraw/zinc/35/18/89/194351889.db2.gz JRTSUUZIIHYTHF-ZJUUUORDSA-N 2 1 318.284 2.146 10 0 DEAEMP C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Br)s2)CC[N@H+]1C ZINC000110701645 194351891 /nfs/dbraw/zinc/35/18/91/194351891.db2.gz JRTSUUZIIHYTHF-ZJUUUORDSA-N 2 1 318.284 2.146 10 0 DEAEMP C[C@H]1CN(c2c(C(N)=S)c[nH+]c3ccccc32)CC[N@@H+]1C ZINC000110755781 194357389 /nfs/dbraw/zinc/35/73/89/194357389.db2.gz BKKGSFOYPIHVSG-NSHDSACASA-N 2 1 300.431 2.009 10 0 DEAEMP C[C@H]1CN(c2c(C(N)=S)c[nH+]c3ccccc32)CC[N@H+]1C ZINC000110755781 194357392 /nfs/dbraw/zinc/35/73/92/194357392.db2.gz BKKGSFOYPIHVSG-NSHDSACASA-N 2 1 300.431 2.009 10 0 DEAEMP CCOCC[N@@H+](CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000111122850 194392912 /nfs/dbraw/zinc/39/29/12/194392912.db2.gz SDKPGBXHPLQODL-UHFFFAOYSA-N 2 1 300.487 2.387 10 0 DEAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061940915 184197445 /nfs/dbraw/zinc/19/74/45/184197445.db2.gz LCXDYJIMHKNIIA-MGPQQGTHSA-N 2 1 307.404 2.320 10 0 DEAEMP CC[NH2+]Cc1sc(N2CC[NH+](C3CC3)CC2)nc1C1CC1 ZINC000069181766 184503366 /nfs/dbraw/zinc/50/33/66/184503366.db2.gz OTWJLKVJMUEUNI-UHFFFAOYSA-N 2 1 306.479 2.414 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000539417230 285076751 /nfs/dbraw/zinc/07/67/51/285076751.db2.gz HCFRWHUEGXSCEH-SFHVURJKSA-N 2 1 317.477 2.451 10 0 DEAEMP C[C@@H]1C[C@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@H+]1C ZINC000158927836 197312398 /nfs/dbraw/zinc/31/23/98/197312398.db2.gz IOBNPRMNIZEBBW-NXEZZACHSA-N 2 1 302.344 2.203 10 0 DEAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCOCC)C(=O)OC ZINC000157479769 197191130 /nfs/dbraw/zinc/19/11/30/197191130.db2.gz QHIVOJNFIUAVKO-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCOCC)C(=O)OC ZINC000157479769 197191132 /nfs/dbraw/zinc/19/11/32/197191132.db2.gz QHIVOJNFIUAVKO-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247962102 285194627 /nfs/dbraw/zinc/19/46/27/285194627.db2.gz CYDGGGTXMQTSBC-KSZLIROESA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000247962102 285194628 /nfs/dbraw/zinc/19/46/28/285194628.db2.gz CYDGGGTXMQTSBC-KSZLIROESA-N 2 1 315.461 2.422 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247962102 285194631 /nfs/dbraw/zinc/19/46/31/285194631.db2.gz CYDGGGTXMQTSBC-KSZLIROESA-N 2 1 315.461 2.422 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000358188664 133127211 /nfs/dbraw/zinc/12/72/11/133127211.db2.gz LGLBTDDBKRUSER-UHFFFAOYSA-N 2 1 322.497 2.202 10 0 DEAEMP C(C[NH+]1CCCCC1)C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000376395189 133292733 /nfs/dbraw/zinc/29/27/33/133292733.db2.gz CQVOEPUEYQETOH-UHFFFAOYSA-N 2 1 317.481 2.280 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000364627966 404477095 /nfs/dbraw/zinc/47/70/95/404477095.db2.gz ANNSAQICKXDEIC-CQSZACIVSA-N 2 1 318.465 2.240 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC[NH+]1CCCCC1)C2 ZINC000364627965 404477184 /nfs/dbraw/zinc/47/71/84/404477184.db2.gz ANNSAQICKXDEIC-AWEZNQCLSA-N 2 1 318.465 2.240 10 0 DEAEMP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973462 292123977 /nfs/dbraw/zinc/12/39/77/292123977.db2.gz GSAHWVJWDOYIJA-GOSISDBHSA-N 2 1 300.450 2.257 10 0 DEAEMP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973462 292123978 /nfs/dbraw/zinc/12/39/78/292123978.db2.gz GSAHWVJWDOYIJA-GOSISDBHSA-N 2 1 300.450 2.257 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000124114693 144706689 /nfs/dbraw/zinc/70/66/89/144706689.db2.gz UMFBKHNMZYDPEX-CABCVRRESA-N 2 1 321.469 2.001 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000124114693 144706690 /nfs/dbraw/zinc/70/66/90/144706690.db2.gz UMFBKHNMZYDPEX-CABCVRRESA-N 2 1 321.469 2.001 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246209713 145094432 /nfs/dbraw/zinc/09/44/32/145094432.db2.gz FTGWSRDQZZSSLS-KSZLIROESA-N 2 1 315.461 2.285 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000246734525 145112350 /nfs/dbraw/zinc/11/23/50/145112350.db2.gz ARVFPCKMENNHTQ-HZPDHXFCSA-N 2 1 324.513 2.279 10 0 DEAEMP OCC1([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248409393 145153681 /nfs/dbraw/zinc/15/36/81/145153681.db2.gz FXDGVNFCNHEOSI-RCCFBDPRSA-N 2 1 300.446 2.402 10 0 DEAEMP COc1ccc(CN(Cc2noc(C[NH3+])n2)[C@H](C)C2CC2)cc1 ZINC000261619916 145211067 /nfs/dbraw/zinc/21/10/67/145211067.db2.gz CUTPFCUDZYNFMT-GFCCVEGCSA-N 2 1 316.405 2.338 10 0 DEAEMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261964477 145247947 /nfs/dbraw/zinc/24/79/47/145247947.db2.gz PYEPHYSXRXCDEE-KSZLIROESA-N 2 1 306.425 2.423 10 0 DEAEMP COc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1C ZINC000261970354 145248066 /nfs/dbraw/zinc/24/80/66/145248066.db2.gz QMWQBYXQMONTOM-KSZLIROESA-N 2 1 318.461 2.293 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccc(F)cc1 ZINC000262036135 145255201 /nfs/dbraw/zinc/25/52/01/145255201.db2.gz XZZUHVNNGBRWEK-BVPBIZIASA-N 2 1 322.424 2.340 10 0 DEAEMP Cn1c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2sc1=O ZINC000262040394 145256309 /nfs/dbraw/zinc/25/63/09/145256309.db2.gz YFWZMGODIQLZGS-PBWFPOADSA-N 2 1 317.458 2.315 10 0 DEAEMP Cn1c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2sc1=O ZINC000262040394 145256310 /nfs/dbraw/zinc/25/63/10/145256310.db2.gz YFWZMGODIQLZGS-PBWFPOADSA-N 2 1 317.458 2.315 10 0 DEAEMP Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262054003 145257468 /nfs/dbraw/zinc/25/74/68/145257468.db2.gz ZZBFAIRURDYGCT-GVDBMIGSSA-N 2 1 310.388 2.254 10 0 DEAEMP CC[C@]1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847459 148053453 /nfs/dbraw/zinc/05/34/53/148053453.db2.gz SDLGRHXFWFHVNE-QAPCUYQASA-N 2 1 303.450 2.013 10 0 DEAEMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030932 401920412 /nfs/dbraw/zinc/92/04/12/401920412.db2.gz YFDSSODRPMSNPT-HNNXBMFYSA-N 2 1 309.841 2.155 10 0 DEAEMP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000047971116 401991276 /nfs/dbraw/zinc/99/12/76/401991276.db2.gz KJZHYKQUAWHUQR-IRXDYDNUSA-N 2 1 321.509 2.299 10 0 DEAEMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000120591238 401995578 /nfs/dbraw/zinc/99/55/78/401995578.db2.gz DOVRFYNOYUFVER-GVDBMIGSSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000120591238 401995582 /nfs/dbraw/zinc/99/55/82/401995582.db2.gz DOVRFYNOYUFVER-GVDBMIGSSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000120591238 401995584 /nfs/dbraw/zinc/99/55/84/401995584.db2.gz DOVRFYNOYUFVER-GVDBMIGSSA-N 2 1 324.513 2.090 10 0 DEAEMP COc1ccc([C@@H](CNC2=[NH+]CCCN2)[NH+]2CCCCC2)cc1 ZINC000068467055 402198796 /nfs/dbraw/zinc/19/87/96/402198796.db2.gz MXHUBXOLNDIKLS-QGZVFWFLSA-N 2 1 316.449 2.161 10 0 DEAEMP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000154841865 402235173 /nfs/dbraw/zinc/23/51/73/402235173.db2.gz KRGZTAWFVDPKHH-HKUYNNGSSA-N 2 1 317.477 2.498 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000158296046 402304131 /nfs/dbraw/zinc/30/41/31/402304131.db2.gz WWGULYRHTPKMJT-KRWDZBQOSA-N 2 1 324.513 2.090 10 0 DEAEMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000237121182 402396209 /nfs/dbraw/zinc/39/62/09/402396209.db2.gz QPBOTKFSFZXOFB-KRWDZBQOSA-N 2 1 319.424 2.001 10 0 DEAEMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000237121182 402396212 /nfs/dbraw/zinc/39/62/12/402396212.db2.gz QPBOTKFSFZXOFB-KRWDZBQOSA-N 2 1 319.424 2.001 10 0 DEAEMP Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[nH+]c1 ZINC000237731991 402419669 /nfs/dbraw/zinc/41/96/69/402419669.db2.gz SYHVQDNKGVXTHH-JYJNAYRXSA-N 2 1 316.449 2.229 10 0 DEAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000237858910 402423952 /nfs/dbraw/zinc/42/39/52/402423952.db2.gz WYPUUSPYZJWQFQ-SJORKVTESA-N 2 1 307.482 2.228 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245675992 402478380 /nfs/dbraw/zinc/47/83/80/402478380.db2.gz FWBNNTQIMUKUAH-HOCLYGCPSA-N 2 1 321.469 2.096 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245675992 402478381 /nfs/dbraw/zinc/47/83/81/402478381.db2.gz FWBNNTQIMUKUAH-HOCLYGCPSA-N 2 1 321.469 2.096 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC000178295082 402481236 /nfs/dbraw/zinc/48/12/36/402481236.db2.gz CEKKVCHIVDERSU-QGZVFWFLSA-N 2 1 318.465 2.303 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC000178295082 402481240 /nfs/dbraw/zinc/48/12/40/402481240.db2.gz CEKKVCHIVDERSU-QGZVFWFLSA-N 2 1 318.465 2.303 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246013578 402503450 /nfs/dbraw/zinc/50/34/50/402503450.db2.gz ZVHDNHWBENUSQJ-JYJNAYRXSA-N 2 1 320.481 2.368 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246013578 402503454 /nfs/dbraw/zinc/50/34/54/402503454.db2.gz ZVHDNHWBENUSQJ-JYJNAYRXSA-N 2 1 320.481 2.368 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000178933063 402556651 /nfs/dbraw/zinc/55/66/51/402556651.db2.gz XPPDOCKHFBHBQM-QGZVFWFLSA-N 2 1 324.513 2.282 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000247280243 402562174 /nfs/dbraw/zinc/56/21/74/402562174.db2.gz KHEOIAXAVSPVJB-MKXAEBJUSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)C1 ZINC000247280243 402562175 /nfs/dbraw/zinc/56/21/75/402562175.db2.gz KHEOIAXAVSPVJB-MKXAEBJUSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1 ZINC000247280243 402562176 /nfs/dbraw/zinc/56/21/76/402562176.db2.gz KHEOIAXAVSPVJB-MKXAEBJUSA-N 2 1 322.497 2.030 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246355586 402526872 /nfs/dbraw/zinc/52/68/72/402526872.db2.gz PNBCAHWLBVIXRB-NVXWUHKLSA-N 2 1 324.513 2.090 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246406492 402529157 /nfs/dbraw/zinc/52/91/57/402529157.db2.gz LQPBHMDPEGZRNY-ZACQAIPSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246406492 402529161 /nfs/dbraw/zinc/52/91/61/402529161.db2.gz LQPBHMDPEGZRNY-ZACQAIPSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246406492 402529165 /nfs/dbraw/zinc/52/91/65/402529165.db2.gz LQPBHMDPEGZRNY-ZACQAIPSSA-N 2 1 324.513 2.088 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn(C(C)(C)C)c2)CC1 ZINC000179518068 402592843 /nfs/dbraw/zinc/59/28/43/402592843.db2.gz GVHRIISLTPBHSQ-OAHLLOKOSA-N 2 1 322.497 2.163 10 0 DEAEMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261961532 402720196 /nfs/dbraw/zinc/72/01/96/402720196.db2.gz PPKQLHPPTDAADW-BASLNEPJSA-N 2 1 320.408 2.396 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174527236 402745340 /nfs/dbraw/zinc/74/53/40/402745340.db2.gz BVUQGZAQZXJXDB-NVXWUHKLSA-N 2 1 324.513 2.375 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000263273189 402752512 /nfs/dbraw/zinc/75/25/12/402752512.db2.gz SLJKKQSPFRFOFH-SWLSCSKDSA-N 2 1 322.355 2.111 10 0 DEAEMP c1ccc(C[N@@H+]2CCCC[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000262361709 402724985 /nfs/dbraw/zinc/72/49/85/402724985.db2.gz IXPKAPKPTKCUDC-KRWDZBQOSA-N 2 1 300.450 2.228 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000194148435 402785705 /nfs/dbraw/zinc/78/57/05/402785705.db2.gz AJMXIMNFPBYHDT-DLBZAZTESA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000194148435 402785706 /nfs/dbraw/zinc/78/57/06/402785706.db2.gz AJMXIMNFPBYHDT-DLBZAZTESA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000194148435 402785707 /nfs/dbraw/zinc/78/57/07/402785707.db2.gz AJMXIMNFPBYHDT-DLBZAZTESA-N 2 1 324.513 2.282 10 0 DEAEMP CC/C=C/CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000184520923 402848675 /nfs/dbraw/zinc/84/86/75/402848675.db2.gz DKKXSNZCFMFZBB-DUMMIQTOSA-N 2 1 309.498 2.070 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000347705176 403814939 /nfs/dbraw/zinc/81/49/39/403814939.db2.gz QGGNJSJGANBYDL-SFHVURJKSA-N 2 1 304.434 2.035 10 0 DEAEMP CC(C)C[C@H]([NH3+])CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000414755051 404724988 /nfs/dbraw/zinc/72/49/88/404724988.db2.gz OOMOGBWWXGQHQY-OTWHNJEPSA-N 2 1 301.478 2.424 10 0 DEAEMP CC(C)([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850866 405713604 /nfs/dbraw/zinc/71/36/04/405713604.db2.gz HVSNNQSAGSYCLS-INIZCTEOSA-N 2 1 303.450 2.285 10 0 DEAEMP CC(C)CN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637908542 406472583 /nfs/dbraw/zinc/47/25/83/406472583.db2.gz GYYSBWLBQDWSMJ-UHFFFAOYSA-N 2 1 317.477 2.484 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000638103508 406571960 /nfs/dbraw/zinc/57/19/60/406571960.db2.gz PPPKICJMSOYUNX-FHLIZLRMSA-N 2 1 313.445 2.203 10 0 DEAEMP C[C@@H](CCNC(=O)C1=CC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000638133775 406587392 /nfs/dbraw/zinc/58/73/92/406587392.db2.gz XVBSHEXAMFFQDZ-WMLDXEAASA-N 2 1 301.434 2.061 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398039250 424922045 /nfs/dbraw/zinc/92/20/45/424922045.db2.gz KIKGCULHPNHHDW-KBAYOESNSA-N 2 1 317.477 2.387 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398041134 424922077 /nfs/dbraw/zinc/92/20/77/424922077.db2.gz RXWMKVARIUPDDI-UBDQQSCGSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@@H](CC(N)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192839 269303617 /nfs/dbraw/zinc/30/36/17/269303617.db2.gz QNHKSXXYTYAHFG-QSPRXWTASA-N 2 1 301.434 2.036 10 0 DEAEMP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)C(C)(C)C ZINC000172193208 289181820 /nfs/dbraw/zinc/18/18/20/289181820.db2.gz RNSXMGMZGUGKRU-INIZCTEOSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000246260715 521711703 /nfs/dbraw/zinc/71/17/03/521711703.db2.gz LASMEGGLEJSSBE-AKBNIOSXSA-N 2 1 307.482 2.096 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357968264 535448523 /nfs/dbraw/zinc/44/85/23/535448523.db2.gz CPGRFEYIKXATLL-HNNXBMFYSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261814610 535759491 /nfs/dbraw/zinc/75/94/91/535759491.db2.gz HPVDOSXLMRWVOL-HZPDHXFCSA-N 2 1 303.450 2.265 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248184721 535996217 /nfs/dbraw/zinc/99/62/17/535996217.db2.gz XBRCQGINUHPSIV-ZWKOTPCHSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692732 536449619 /nfs/dbraw/zinc/44/96/19/536449619.db2.gz BBWCKLIVTRPCTP-MOPGFXCFSA-N 2 1 301.478 2.440 10 0 DEAEMP COCCOCC[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262047154 536497112 /nfs/dbraw/zinc/49/71/12/536497112.db2.gz PWPRGBNVZHMIMI-SFHVURJKSA-N 2 1 306.450 2.151 10 0 DEAEMP COCCOCC[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262047154 536497123 /nfs/dbraw/zinc/49/71/23/536497123.db2.gz PWPRGBNVZHMIMI-SFHVURJKSA-N 2 1 306.450 2.151 10 0 DEAEMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CCOC1=S ZINC000066795639 625849959 /nfs/dbraw/zinc/84/99/59/625849959.db2.gz DHOXZBXAMPVRTL-UHFFFAOYSA-N 2 1 307.463 2.145 10 0 DEAEMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CCOC1=S ZINC000066795639 625849963 /nfs/dbraw/zinc/84/99/63/625849963.db2.gz DHOXZBXAMPVRTL-UHFFFAOYSA-N 2 1 307.463 2.145 10 0 DEAEMP [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379659455 685392684 /nfs/dbraw/zinc/39/26/84/685392684.db2.gz ARYYMYQGYZXCJF-MSOLQXFVSA-N 2 1 315.461 2.285 10 0 DEAEMP CN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381899183 685402122 /nfs/dbraw/zinc/40/21/22/685402122.db2.gz VOSVTHJSBDRPNN-QGZVFWFLSA-N 2 1 317.477 2.498 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000386910552 685420159 /nfs/dbraw/zinc/42/01/59/685420159.db2.gz KEAYNOKUMVGVQU-JYJNAYRXSA-N 2 1 302.418 2.290 10 0 DEAEMP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000386910552 685420166 /nfs/dbraw/zinc/42/01/66/685420166.db2.gz KEAYNOKUMVGVQU-JYJNAYRXSA-N 2 1 302.418 2.290 10 0 DEAEMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000713005419 792212634 /nfs/dbraw/zinc/21/26/34/792212634.db2.gz UAXYWJYZMXDZCX-SJORKVTESA-N 2 1 317.477 2.387 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000716240994 792944473 /nfs/dbraw/zinc/94/44/73/792944473.db2.gz IBNJZPJTIWAFEV-VLOYRQLPSA-N 2 1 316.445 2.187 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000716240994 792944478 /nfs/dbraw/zinc/94/44/78/792944478.db2.gz IBNJZPJTIWAFEV-VLOYRQLPSA-N 2 1 316.445 2.187 10 0 DEAEMP OCC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716623245 792981223 /nfs/dbraw/zinc/98/12/23/792981223.db2.gz ZBUJPMXVOVESPY-KQGQHFIGSA-N 2 1 300.446 2.400 10 0 DEAEMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716731293 793003118 /nfs/dbraw/zinc/00/31/18/793003118.db2.gz CPVUPBUTDZYXJQ-KSZLIROESA-N 2 1 315.461 2.107 10 0 DEAEMP CCN(C)C(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716731293 793003128 /nfs/dbraw/zinc/00/31/28/793003128.db2.gz CPVUPBUTDZYXJQ-KSZLIROESA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@H](CO)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925125 1086626595 /nfs/dbraw/zinc/62/65/95/1086626595.db2.gz CDVHHFOBTFQKII-WDSOQIARSA-N 2 1 302.462 2.459 10 0 DEAEMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000220526649 539728104 /nfs/dbraw/zinc/72/81/04/539728104.db2.gz RJTJJZDKBWHOJU-KGLIPLIRSA-N 2 1 306.454 2.141 10 0 DEAEMP [NH3+][C@H]1CCCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000152665349 186095667 /nfs/dbraw/zinc/09/56/67/186095667.db2.gz SVVLOBNWBDNFLH-ROUUACIJSA-N 2 1 315.461 2.238 10 0 DEAEMP CC[N@H+]1CCO[C@@H](Cn2cc(C[NH3+])c3ccc(Cl)cc32)C1 ZINC000163987821 186145100 /nfs/dbraw/zinc/14/51/00/186145100.db2.gz SIIDBHLZHRBBME-CQSZACIVSA-N 2 1 307.825 2.474 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323788061 539906091 /nfs/dbraw/zinc/90/60/91/539906091.db2.gz FVBAGPSMCUBEAZ-ZWKOTPCHSA-N 2 1 315.461 2.096 10 0 DEAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382712637 540123646 /nfs/dbraw/zinc/12/36/46/540123646.db2.gz WKYCSJGGABMNQV-MJGOQNOKSA-N 2 1 315.461 2.109 10 0 DEAEMP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404312535 540145039 /nfs/dbraw/zinc/14/50/39/540145039.db2.gz MCWKTBQRNVSWPL-FZKCQIBNSA-N 2 1 303.450 2.104 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404296040 540145140 /nfs/dbraw/zinc/14/51/40/540145140.db2.gz CYBVNEGOVQDBJR-KYHPRHEASA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@H](CCNC(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000181589733 356087594 /nfs/dbraw/zinc/08/75/94/356087594.db2.gz MPTUJLPBZBKFCZ-DLBZAZTESA-N 2 1 324.513 2.425 10 0 DEAEMP C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721139 193096547 /nfs/dbraw/zinc/09/65/47/193096547.db2.gz FGQCVSZVHSWPTH-HFBAOOFYSA-N 2 1 312.816 2.473 10 0 DEAEMP C[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721139 193096548 /nfs/dbraw/zinc/09/65/48/193096548.db2.gz FGQCVSZVHSWPTH-HFBAOOFYSA-N 2 1 312.816 2.473 10 0 DEAEMP c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)S2 ZINC000092260467 193182157 /nfs/dbraw/zinc/18/21/57/193182157.db2.gz JOYVDGJGLPTXOE-BZUAXINKSA-N 2 1 304.459 2.156 10 0 DEAEMP c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)S2 ZINC000092260467 193182158 /nfs/dbraw/zinc/18/21/58/193182158.db2.gz JOYVDGJGLPTXOE-BZUAXINKSA-N 2 1 304.459 2.156 10 0 DEAEMP CCC(CC)[N@@H+](CCOC)CC[C@H]1CCC[C@@]1(CO)[NH2+]C ZINC000093617879 193275033 /nfs/dbraw/zinc/27/50/33/193275033.db2.gz UNQOWJKBICOAEG-WBVHZDCISA-N 2 1 300.487 2.264 10 0 DEAEMP OC[C@@]1([NH2+]C2CC2)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093857503 193319599 /nfs/dbraw/zinc/31/95/99/193319599.db2.gz QEXPFDGUEVTWMZ-UONOGXRCSA-N 2 1 306.372 2.296 10 0 DEAEMP C[C@H]1SCCC[C@@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000094479199 193372927 /nfs/dbraw/zinc/37/29/27/193372927.db2.gz KDWATKSQKWYTSM-WBVHZDCISA-N 2 1 311.539 2.407 10 0 DEAEMP Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000062092580 184205473 /nfs/dbraw/zinc/20/54/73/184205473.db2.gz YHKPNMZQJSQICL-QGZVFWFLSA-N 2 1 317.477 2.416 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157525831 197193610 /nfs/dbraw/zinc/19/36/10/197193610.db2.gz QQVRZZUHUPBMCE-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCOC(C)C)C(=O)OC ZINC000157525831 197193612 /nfs/dbraw/zinc/19/36/12/197193612.db2.gz QQVRZZUHUPBMCE-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000359667814 133138282 /nfs/dbraw/zinc/13/82/82/133138282.db2.gz PWKAWYKJCMXOSB-IAGOWNOFSA-N 2 1 307.482 2.195 10 0 DEAEMP c1ccc(N2CCOCC2)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563136185 292033521 /nfs/dbraw/zinc/03/35/21/292033521.db2.gz GWQVFCLZWXOCGI-LJQANCHMSA-N 2 1 315.461 2.099 10 0 DEAEMP Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000371800851 404474009 /nfs/dbraw/zinc/47/40/09/404474009.db2.gz DAOHJZZTINZDQY-AWEZNQCLSA-N 2 1 301.365 2.203 10 0 DEAEMP Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000371800851 404474011 /nfs/dbraw/zinc/47/40/11/404474011.db2.gz DAOHJZZTINZDQY-AWEZNQCLSA-N 2 1 301.365 2.203 10 0 DEAEMP C[N@H+]1CCC[C@H]2CN(Cc3nc(N)c4ccccc4n3)CC[C@H]21 ZINC000246613737 145108734 /nfs/dbraw/zinc/10/87/34/145108734.db2.gz DQYLDZGPAQNNPY-XJKSGUPXSA-N 2 1 311.433 2.128 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC000246848297 145116594 /nfs/dbraw/zinc/11/65/94/145116594.db2.gz CAPPZVAAAJRPTF-WBVHZDCISA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCCCCC1 ZINC000246848297 145116595 /nfs/dbraw/zinc/11/65/95/145116595.db2.gz CAPPZVAAAJRPTF-WBVHZDCISA-N 2 1 318.465 2.447 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247471582 145138503 /nfs/dbraw/zinc/13/85/03/145138503.db2.gz VHNGWBXSNPEKPH-KBAYOESNSA-N 2 1 317.477 2.004 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247471582 145138504 /nfs/dbraw/zinc/13/85/04/145138504.db2.gz VHNGWBXSNPEKPH-KBAYOESNSA-N 2 1 317.477 2.004 10 0 DEAEMP OC1(c2cccnc2)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248654278 145163302 /nfs/dbraw/zinc/16/33/02/145163302.db2.gz ZJEDPERKRXKVGZ-YBXZHIRMSA-N 2 1 315.461 2.428 10 0 DEAEMP CC1(C)C[N@@H+](CCC(=O)N2CCc3sccc3C2)CC[C@@H]1[NH3+] ZINC000261696628 145217604 /nfs/dbraw/zinc/21/76/04/145217604.db2.gz HVWZDKOJEIANBZ-HNNXBMFYSA-N 2 1 321.490 2.082 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261741718 145222284 /nfs/dbraw/zinc/22/22/84/145222284.db2.gz SFCBOVNBEGAQGH-TWMKSMIVSA-N 2 1 307.482 2.288 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261930922 145243242 /nfs/dbraw/zinc/24/32/42/145243242.db2.gz LRSOFNUCDBZMPP-SPUZQDLCSA-N 2 1 316.445 2.299 10 0 DEAEMP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261934805 145244251 /nfs/dbraw/zinc/24/42/51/145244251.db2.gz MCWXZRAIUZWSQI-IPMKNSEASA-N 2 1 318.461 2.470 10 0 DEAEMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1F ZINC000262003612 145252338 /nfs/dbraw/zinc/25/23/38/145252338.db2.gz VNWTZGGMYUTOEI-OAHLLOKOSA-N 2 1 305.397 2.228 10 0 DEAEMP Fc1ccc(F)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262016256 145253591 /nfs/dbraw/zinc/25/35/91/145253591.db2.gz WAUQMYKMJNZLBK-UAGQMJEPSA-N 2 1 310.388 2.254 10 0 DEAEMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000262023968 145254738 /nfs/dbraw/zinc/25/47/38/145254738.db2.gz WVESWYUBVQJQQB-OKYOBFRVSA-N 2 1 300.446 2.291 10 0 DEAEMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262952152 145313580 /nfs/dbraw/zinc/31/35/80/145313580.db2.gz JSRGJHIZPPXWHR-NUJGCVRESA-N 2 1 307.482 2.275 10 0 DEAEMP COCC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336655118 145396049 /nfs/dbraw/zinc/39/60/49/145396049.db2.gz FTSSNILWHJGHRH-SFHVURJKSA-N 2 1 306.450 2.292 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000111841714 401725828 /nfs/dbraw/zinc/72/58/28/401725828.db2.gz NPBCOUPBFCOQNA-CVEARBPZSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000111841714 401725829 /nfs/dbraw/zinc/72/58/29/401725829.db2.gz NPBCOUPBFCOQNA-CVEARBPZSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000111841714 401725832 /nfs/dbraw/zinc/72/58/32/401725832.db2.gz NPBCOUPBFCOQNA-CVEARBPZSA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481038 401801895 /nfs/dbraw/zinc/80/18/95/401801895.db2.gz QCPBBVKEUWAOQM-UHFFFAOYSA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)NC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481038 401801896 /nfs/dbraw/zinc/80/18/96/401801896.db2.gz QCPBBVKEUWAOQM-UHFFFAOYSA-N 2 1 317.477 2.498 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN(C)c2ccccc2)CC1 ZINC000131467359 401851319 /nfs/dbraw/zinc/85/13/19/401851319.db2.gz LIKICBFOTOMPEU-KRWDZBQOSA-N 2 1 319.493 2.147 10 0 DEAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+]2C)c1 ZINC000141299164 401989693 /nfs/dbraw/zinc/98/96/93/401989693.db2.gz PHQROXIBTDLZCA-KRWDZBQOSA-N 2 1 318.465 2.032 10 0 DEAEMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000141299164 401989696 /nfs/dbraw/zinc/98/96/96/401989696.db2.gz PHQROXIBTDLZCA-KRWDZBQOSA-N 2 1 318.465 2.032 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635585 401949042 /nfs/dbraw/zinc/94/90/42/401949042.db2.gz RQFIIIDGELAAAR-HIFRSBDPSA-N 2 1 323.506 2.341 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635585 401949043 /nfs/dbraw/zinc/94/90/43/401949043.db2.gz RQFIIIDGELAAAR-HIFRSBDPSA-N 2 1 323.506 2.341 10 0 DEAEMP COc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123285820 402119939 /nfs/dbraw/zinc/11/99/39/402119939.db2.gz WAICJHOTXARACC-UONOGXRCSA-N 2 1 305.422 2.048 10 0 DEAEMP C[C@H](NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000123195726 402115272 /nfs/dbraw/zinc/11/52/72/402115272.db2.gz PBCKJTZFUNWYTI-HZSPNIEDSA-N 2 1 309.479 2.340 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000124382108 402177313 /nfs/dbraw/zinc/17/73/13/402177313.db2.gz KAYPNYNWSMHARA-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124382108 402177316 /nfs/dbraw/zinc/17/73/16/402177316.db2.gz KAYPNYNWSMHARA-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124382108 402177317 /nfs/dbraw/zinc/17/73/17/402177317.db2.gz KAYPNYNWSMHARA-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3C)C2)CC1 ZINC000107370750 402231862 /nfs/dbraw/zinc/23/18/62/402231862.db2.gz DOQFXLVGIYDVHM-GOSISDBHSA-N 2 1 317.477 2.086 10 0 DEAEMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000154833335 402234912 /nfs/dbraw/zinc/23/49/12/402234912.db2.gz KZJPVVITJJUPFA-LJQANCHMSA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000154833335 402234914 /nfs/dbraw/zinc/23/49/14/402234914.db2.gz KZJPVVITJJUPFA-LJQANCHMSA-N 2 1 317.477 2.498 10 0 DEAEMP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000154833335 402234916 /nfs/dbraw/zinc/23/49/16/402234916.db2.gz KZJPVVITJJUPFA-LJQANCHMSA-N 2 1 317.477 2.498 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2cccs2)CCN1C ZINC000177057837 402365098 /nfs/dbraw/zinc/36/50/98/402365098.db2.gz CFOIXTTZQHGWTI-ILXRZTDVSA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000177057837 402365100 /nfs/dbraw/zinc/36/51/00/402365100.db2.gz CFOIXTTZQHGWTI-ILXRZTDVSA-N 2 1 312.479 2.040 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@H+]1C ZINC000177057837 402365102 /nfs/dbraw/zinc/36/51/02/402365102.db2.gz CFOIXTTZQHGWTI-ILXRZTDVSA-N 2 1 312.479 2.040 10 0 DEAEMP CC[C@](C)(O)C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000162178335 402411872 /nfs/dbraw/zinc/41/18/72/402411872.db2.gz YBPNVHMBVNVVMC-KRWDZBQOSA-N 2 1 300.487 2.218 10 0 DEAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000178297145 402481103 /nfs/dbraw/zinc/48/11/03/402481103.db2.gz SGKSZHPPYAIYKG-INIZCTEOSA-N 2 1 304.438 2.105 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000178297145 402481106 /nfs/dbraw/zinc/48/11/06/402481106.db2.gz SGKSZHPPYAIYKG-INIZCTEOSA-N 2 1 304.438 2.105 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000178297145 402481108 /nfs/dbraw/zinc/48/11/08/402481108.db2.gz SGKSZHPPYAIYKG-INIZCTEOSA-N 2 1 304.438 2.105 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC000178315072 402483832 /nfs/dbraw/zinc/48/38/32/402483832.db2.gz CAPPZVAAAJRPTF-RDJZCZTQSA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCCCCC1 ZINC000178315072 402483836 /nfs/dbraw/zinc/48/38/36/402483836.db2.gz CAPPZVAAAJRPTF-RDJZCZTQSA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000178326948 402485169 /nfs/dbraw/zinc/48/51/69/402485169.db2.gz DPLLVNGNUNEISV-HLLBOEOZSA-N 2 1 318.465 2.445 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000178326948 402485173 /nfs/dbraw/zinc/48/51/73/402485173.db2.gz DPLLVNGNUNEISV-HLLBOEOZSA-N 2 1 318.465 2.445 10 0 DEAEMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178333089 402485766 /nfs/dbraw/zinc/48/57/66/402485766.db2.gz LBAKERFAEJAZOF-IAGOWNOFSA-N 2 1 318.465 2.447 10 0 DEAEMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178333089 402485769 /nfs/dbraw/zinc/48/57/69/402485769.db2.gz LBAKERFAEJAZOF-IAGOWNOFSA-N 2 1 318.465 2.447 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018868 402553567 /nfs/dbraw/zinc/55/35/67/402553567.db2.gz MADGXEIVEGNKEL-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018868 402553568 /nfs/dbraw/zinc/55/35/68/402553568.db2.gz MADGXEIVEGNKEL-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018868 402553571 /nfs/dbraw/zinc/55/35/71/402553571.db2.gz MADGXEIVEGNKEL-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NC)c2)[C@@H](C)C1 ZINC000247018868 402553574 /nfs/dbraw/zinc/55/35/74/402553574.db2.gz MADGXEIVEGNKEL-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247280260 402562155 /nfs/dbraw/zinc/56/21/55/402562155.db2.gz KHEOIAXAVSPVJB-ZCRFILTFSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247280260 402562157 /nfs/dbraw/zinc/56/21/57/402562157.db2.gz KHEOIAXAVSPVJB-ZCRFILTFSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247280260 402562159 /nfs/dbraw/zinc/56/21/59/402562159.db2.gz KHEOIAXAVSPVJB-ZCRFILTFSA-N 2 1 322.497 2.030 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246472355 402532487 /nfs/dbraw/zinc/53/24/87/402532487.db2.gz VLQZBYIEUHHENU-LTIDMASMSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246472355 402532490 /nfs/dbraw/zinc/53/24/90/402532490.db2.gz VLQZBYIEUHHENU-LTIDMASMSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246472355 402532494 /nfs/dbraw/zinc/53/24/94/402532494.db2.gz VLQZBYIEUHHENU-LTIDMASMSA-N 2 1 324.513 2.231 10 0 DEAEMP CCn1cc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190476014 402604117 /nfs/dbraw/zinc/60/41/17/402604117.db2.gz MPCSRLRWPFFCKJ-KRWDZBQOSA-N 2 1 313.449 2.252 10 0 DEAEMP CCn1cc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000190476014 402604118 /nfs/dbraw/zinc/60/41/18/402604118.db2.gz MPCSRLRWPFFCKJ-KRWDZBQOSA-N 2 1 313.449 2.252 10 0 DEAEMP CO[C@@H]1C[NH+](C/C=C/C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251931115 402651582 /nfs/dbraw/zinc/65/15/82/402651582.db2.gz TXEKBEJYXOVQTQ-VLBSHIBISA-N 2 1 310.482 2.256 10 0 DEAEMP CO[C@@H]1C[N@H+](C/C=C/C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251931115 402651586 /nfs/dbraw/zinc/65/15/86/402651586.db2.gz TXEKBEJYXOVQTQ-VLBSHIBISA-N 2 1 310.482 2.256 10 0 DEAEMP CO[C@@H]1C[N@@H+](C/C=C/C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251931115 402651589 /nfs/dbraw/zinc/65/15/89/402651589.db2.gz TXEKBEJYXOVQTQ-VLBSHIBISA-N 2 1 310.482 2.256 10 0 DEAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263304277 402756417 /nfs/dbraw/zinc/75/64/17/402756417.db2.gz XOWDTJPYYSUREB-QWHCGFSZSA-N 2 1 317.424 2.000 10 0 DEAEMP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740288 402813807 /nfs/dbraw/zinc/81/38/07/402813807.db2.gz UJJVTDYUPSEONL-QZTJIDSGSA-N 2 1 317.477 2.355 10 0 DEAEMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000195222445 402837696 /nfs/dbraw/zinc/83/76/96/402837696.db2.gz BVQGOTBTTWJRLD-QGZVFWFLSA-N 2 1 316.449 2.450 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000183681210 402788203 /nfs/dbraw/zinc/78/82/03/402788203.db2.gz RIMUHKNDPZMWFF-CQSZACIVSA-N 2 1 312.417 2.454 10 0 DEAEMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516200 402849644 /nfs/dbraw/zinc/84/96/44/402849644.db2.gz OTRKVVRORDNKHV-LSDHHAIUSA-N 2 1 304.438 2.039 10 0 DEAEMP c1sc(C2CC2)nc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415054528 404796911 /nfs/dbraw/zinc/79/69/11/404796911.db2.gz NREHFIRUMXEMQG-UHFFFAOYSA-N 2 1 320.506 2.327 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000638835521 405702571 /nfs/dbraw/zinc/70/25/71/405702571.db2.gz MELRNTSSYHAFKV-HHXXYDBFSA-N 2 1 315.461 2.013 10 0 DEAEMP CCn1nncc1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391769 405884256 /nfs/dbraw/zinc/88/42/56/405884256.db2.gz DBGJAISTMRKHPB-WBVHZDCISA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459391769 405884260 /nfs/dbraw/zinc/88/42/60/405884260.db2.gz DBGJAISTMRKHPB-WBVHZDCISA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391769 405884267 /nfs/dbraw/zinc/88/42/67/405884267.db2.gz DBGJAISTMRKHPB-WBVHZDCISA-N 2 1 313.449 2.298 10 0 DEAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638111670 406574203 /nfs/dbraw/zinc/57/42/03/406574203.db2.gz PENDMGSAMUNQHE-SJLPKXTDSA-N 2 1 313.445 2.014 10 0 DEAEMP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)[C@@H](C)C1 ZINC000553329396 406750013 /nfs/dbraw/zinc/75/00/13/406750013.db2.gz HERAPKWRKANTGY-KBPBESRZSA-N 2 1 318.465 2.191 10 0 DEAEMP C[NH2+][C@@H](Cc1cn2ccsc2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129212543 196029216 /nfs/dbraw/zinc/02/92/16/196029216.db2.gz WJUDJGJSAOUWEH-FBAPMCOASA-N 2 1 304.463 2.399 10 0 DEAEMP CCC[NH2+][C@H](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129433416 196047343 /nfs/dbraw/zinc/04/73/43/196047343.db2.gz DFGRWIJRKFVPIJ-WTXIUTQJSA-N 2 1 316.511 2.052 10 0 DEAEMP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195269492 225200093 /nfs/dbraw/zinc/20/00/93/225200093.db2.gz YHIWDYRYLWGDOZ-DOTOQJQBSA-N 2 1 311.433 2.387 10 0 DEAEMP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195269492 225200097 /nfs/dbraw/zinc/20/00/97/225200097.db2.gz YHIWDYRYLWGDOZ-DOTOQJQBSA-N 2 1 311.433 2.387 10 0 DEAEMP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195269506 225200898 /nfs/dbraw/zinc/20/08/98/225200898.db2.gz YHIWDYRYLWGDOZ-NVXWUHKLSA-N 2 1 311.433 2.387 10 0 DEAEMP C[C@H](c1cnccn1)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195269506 225200901 /nfs/dbraw/zinc/20/09/01/225200901.db2.gz YHIWDYRYLWGDOZ-NVXWUHKLSA-N 2 1 311.433 2.387 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397304645 269105272 /nfs/dbraw/zinc/10/52/72/269105272.db2.gz GFKASXNMJQTFGR-RYRKJORJSA-N 2 1 317.477 2.340 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397304645 269105274 /nfs/dbraw/zinc/10/52/74/269105274.db2.gz GFKASXNMJQTFGR-RYRKJORJSA-N 2 1 317.477 2.340 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C[C@@]1(C)C[NH3+] ZINC000415057524 274353980 /nfs/dbraw/zinc/35/39/80/274353980.db2.gz PWTHTINGDVQZCC-MLGOLLRUSA-N 2 1 319.840 2.337 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C[C@@]1(C)C[NH3+] ZINC000415057524 274353981 /nfs/dbraw/zinc/35/39/81/274353981.db2.gz PWTHTINGDVQZCC-MLGOLLRUSA-N 2 1 319.840 2.337 10 0 DEAEMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114009 277456758 /nfs/dbraw/zinc/45/67/58/277456758.db2.gz WRYZZXLSHADQIF-APWZRJJASA-N 2 1 317.477 2.373 10 0 DEAEMP CC(C)[C@@](C)(O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000186928082 280116325 /nfs/dbraw/zinc/11/63/25/280116325.db2.gz VMTGZMMLOZPTIN-JZXOWHBKSA-N 2 1 312.498 2.215 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000246148803 281197463 /nfs/dbraw/zinc/19/74/63/281197463.db2.gz KBRMEWVKZDRGOZ-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261999801 293317025 /nfs/dbraw/zinc/31/70/25/293317025.db2.gz UKDWXEBKEZZNJY-RCCFBDPRSA-N 2 1 304.434 2.080 10 0 DEAEMP CO[C@H]1C[NH+](CCCC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189302616 333070159 /nfs/dbraw/zinc/07/01/59/333070159.db2.gz NSPVRTBWVKEIMC-XLAORIBOSA-N 2 1 312.498 2.480 10 0 DEAEMP CO[C@H]1C[N@H+](CCCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189302616 333070161 /nfs/dbraw/zinc/07/01/61/333070161.db2.gz NSPVRTBWVKEIMC-XLAORIBOSA-N 2 1 312.498 2.480 10 0 DEAEMP CO[C@H]1C[N@@H+](CCCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189302616 333070162 /nfs/dbraw/zinc/07/01/62/333070162.db2.gz NSPVRTBWVKEIMC-XLAORIBOSA-N 2 1 312.498 2.480 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000105922558 522600856 /nfs/dbraw/zinc/60/08/56/522600856.db2.gz LXZJKEWXTPJHAU-HOTGVXAUSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000105922558 522600867 /nfs/dbraw/zinc/60/08/67/522600867.db2.gz LXZJKEWXTPJHAU-HOTGVXAUSA-N 2 1 318.465 2.483 10 0 DEAEMP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383351 536300296 /nfs/dbraw/zinc/30/02/96/536300296.db2.gz SMFNWWREVXMGTH-OWLYRPNTSA-N 2 1 315.461 2.296 10 0 DEAEMP Cc1noc2ncc(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)cc12 ZINC000894779945 637207799 /nfs/dbraw/zinc/20/77/99/637207799.db2.gz SNOCRDQYWZBWEF-ZDUSSCGKSA-N 2 1 311.389 2.422 10 0 DEAEMP Cc1noc2ncc(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)cc12 ZINC000894779945 637207802 /nfs/dbraw/zinc/20/78/02/637207802.db2.gz SNOCRDQYWZBWEF-ZDUSSCGKSA-N 2 1 311.389 2.422 10 0 DEAEMP C[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000381921713 685402921 /nfs/dbraw/zinc/40/29/21/685402921.db2.gz OAGFDECSPVMWOU-HIFRSBDPSA-N 2 1 311.470 2.364 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381828618 685402098 /nfs/dbraw/zinc/40/20/98/685402098.db2.gz IAUHGNLFVNYKAL-QXAKKESOSA-N 2 1 320.477 2.273 10 0 DEAEMP C[N@@H+]1CC=C(C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000392194481 685449803 /nfs/dbraw/zinc/44/98/03/685449803.db2.gz QOLCASBBFNGZFE-OAHLLOKOSA-N 2 1 309.454 2.237 10 0 DEAEMP C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680049 792984294 /nfs/dbraw/zinc/98/42/94/792984294.db2.gz PYORPDLQIJGXHL-AIPHJMKMSA-N 2 1 320.502 2.396 10 0 DEAEMP C[S@](=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681744 793001219 /nfs/dbraw/zinc/00/12/19/793001219.db2.gz ZACDEFDZIVPLNM-ORGXJRBJSA-N 2 1 320.502 2.398 10 0 DEAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247011849 282189652 /nfs/dbraw/zinc/18/96/52/282189652.db2.gz LIKSNCNISWVQCB-GTGZTVCESA-N 2 1 322.497 2.174 10 0 DEAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000106457456 282251070 /nfs/dbraw/zinc/25/10/70/282251070.db2.gz ABTFARALYHYFGW-GOSISDBHSA-N 2 1 317.477 2.152 10 0 DEAEMP [NH3+][C@@H]1C(=O)Nc2cc(OCC[NH+]3CCCCC3)c(Cl)cc21 ZINC000092770051 185339549 /nfs/dbraw/zinc/33/95/49/185339549.db2.gz SOGZRLDNDBGBQV-AWEZNQCLSA-N 2 1 309.797 2.157 10 0 DEAEMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cocn3)CC2)oc1C ZINC000192311972 282341673 /nfs/dbraw/zinc/34/16/73/282341673.db2.gz RRNFLDLRLFJWFW-UHFFFAOYSA-N 2 1 304.394 2.281 10 0 DEAEMP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247074681 535067630 /nfs/dbraw/zinc/06/76/30/535067630.db2.gz OUMOOTPGTFSMHG-HOCLYGCPSA-N 2 1 306.454 2.351 10 0 DEAEMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247074681 535067636 /nfs/dbraw/zinc/06/76/36/535067636.db2.gz OUMOOTPGTFSMHG-HOCLYGCPSA-N 2 1 306.454 2.351 10 0 DEAEMP C[NH2+][C@@H](C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149572608 186050879 /nfs/dbraw/zinc/05/08/79/186050879.db2.gz VEPAZTZUGDKJFR-HIFRSBDPSA-N 2 1 311.857 2.245 10 0 DEAEMP CC[NH2+][C@H](Cc1ccc(CC)s1)C[C@H]1C[N@@H+](C)CCN1C ZINC000149690503 186052242 /nfs/dbraw/zinc/05/22/42/186052242.db2.gz IHSIRDAWDRHFBN-GJZGRUSLSA-N 2 1 309.523 2.467 10 0 DEAEMP C[C@@H]1CN(c2ccc(CC[NH3+])cc2C(F)(F)F)CC[N@H+]1C ZINC000163863554 186140330 /nfs/dbraw/zinc/14/03/30/186140330.db2.gz GCOPKIZSAXMTQO-LLVKDONJSA-N 2 1 301.356 2.347 10 0 DEAEMP C[N@H+]1CCCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164289972 186154962 /nfs/dbraw/zinc/15/49/62/186154962.db2.gz YULCUMJVFYAQTG-UHFFFAOYSA-N 2 1 300.328 2.131 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000172179141 198053094 /nfs/dbraw/zinc/05/30/94/198053094.db2.gz JWLBDBMIPHLSKL-GJZGRUSLSA-N 2 1 312.502 2.136 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000262679366 356343731 /nfs/dbraw/zinc/34/37/31/356343731.db2.gz VSTVOLDBNXIIEP-QAETUUGQSA-N 2 1 309.498 2.201 10 0 DEAEMP COCC[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C(F)(F)F ZINC000091337094 193043575 /nfs/dbraw/zinc/04/35/75/193043575.db2.gz JMLTVIWJUIXXEJ-UHFFFAOYSA-N 2 1 300.284 2.022 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3Br)C[C@@H]21 ZINC000629518865 367231698 /nfs/dbraw/zinc/23/16/98/367231698.db2.gz MKVAHYCLWRSDJT-SCDSUCTJSA-N 2 1 310.239 2.403 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3Br)C[C@@H]21 ZINC000629518865 367231700 /nfs/dbraw/zinc/23/17/00/367231700.db2.gz MKVAHYCLWRSDJT-SCDSUCTJSA-N 2 1 310.239 2.403 10 0 DEAEMP C[N@@H+](CCOCC[NH3+])CCOc1c(Cl)cccc1Cl ZINC000629575081 367258091 /nfs/dbraw/zinc/25/80/91/367258091.db2.gz LHAFUEBBOWCSGW-UHFFFAOYSA-N 2 1 307.221 2.279 10 0 DEAEMP C[C@@H]1C[C@](C[NH3+])(N2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094473232 193372483 /nfs/dbraw/zinc/37/24/83/193372483.db2.gz ICTQEYHJDKCYTR-NVXWUHKLSA-N 2 1 305.491 2.027 10 0 DEAEMP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333876 245074807 /nfs/dbraw/zinc/07/48/07/245074807.db2.gz WPDHMXLTVURXCH-CGTJXYLNSA-N 2 1 315.461 2.107 10 0 DEAEMP CCN1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333876 245074815 /nfs/dbraw/zinc/07/48/15/245074815.db2.gz WPDHMXLTVURXCH-CGTJXYLNSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000043258584 183348056 /nfs/dbraw/zinc/34/80/56/183348056.db2.gz BQAMDGSPYVZYIT-CABZTGNLSA-N 2 1 318.284 2.146 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105125107 194075723 /nfs/dbraw/zinc/07/57/23/194075723.db2.gz KLJFILVKUUMPDJ-CVEARBPZSA-N 2 1 312.502 2.136 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000109752263 194283263 /nfs/dbraw/zinc/28/32/63/194283263.db2.gz FAUSTLJRFQJUQK-LJQANCHMSA-N 2 1 301.478 2.331 10 0 DEAEMP C[C@H](C[NH3+])N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000110460717 194332053 /nfs/dbraw/zinc/33/20/53/194332053.db2.gz KACDAEIQTYONEW-GFCCVEGCSA-N 2 1 301.356 2.170 10 0 DEAEMP CCOCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000111121715 194392019 /nfs/dbraw/zinc/39/20/19/194392019.db2.gz ZCOLUPXKZYAXKH-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000111121715 194392020 /nfs/dbraw/zinc/39/20/20/194392020.db2.gz ZCOLUPXKZYAXKH-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCc1ccc([C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000063178297 184276788 /nfs/dbraw/zinc/27/67/88/184276788.db2.gz XTLUYYUBVZOGKD-OLZOCXBDSA-N 2 1 309.479 2.158 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000156521266 197120170 /nfs/dbraw/zinc/12/01/70/197120170.db2.gz WBOQQHHEQQYYTI-LBPRGKRZSA-N 2 1 312.421 2.277 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157380087 285230667 /nfs/dbraw/zinc/23/06/67/285230667.db2.gz VOSQCIRWQLUXOM-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373115147 133378004 /nfs/dbraw/zinc/37/80/04/133378004.db2.gz HVLLWIKMGAUQAS-ZWKOTPCHSA-N 2 1 312.498 2.362 10 0 DEAEMP c1ccc(-c2noc(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000563800519 292073873 /nfs/dbraw/zinc/07/38/73/292073873.db2.gz VFSUOUOGMNWOLP-SFHVURJKSA-N 2 1 312.417 2.355 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192007063 145068796 /nfs/dbraw/zinc/06/87/96/145068796.db2.gz RBWNLLBXULWMRY-OAHLLOKOSA-N 2 1 317.433 2.160 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246393440 145101783 /nfs/dbraw/zinc/10/17/83/145101783.db2.gz WAIIIIMADSEUJS-WBVHZDCISA-N 2 1 305.466 2.006 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000246966133 145120773 /nfs/dbraw/zinc/12/07/73/145120773.db2.gz FYBSMNJMKRZHRA-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246966133 145120776 /nfs/dbraw/zinc/12/07/76/145120776.db2.gz FYBSMNJMKRZHRA-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246966133 145120778 /nfs/dbraw/zinc/12/07/78/145120778.db2.gz FYBSMNJMKRZHRA-IAGOWNOFSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247385025 145135599 /nfs/dbraw/zinc/13/55/99/145135599.db2.gz FWYUCAGXQGRQKQ-NPYXIHBLSA-N 2 1 322.497 2.175 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247385025 145135601 /nfs/dbraw/zinc/13/56/01/145135601.db2.gz FWYUCAGXQGRQKQ-NPYXIHBLSA-N 2 1 322.497 2.175 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247385025 145135602 /nfs/dbraw/zinc/13/56/02/145135602.db2.gz FWYUCAGXQGRQKQ-NPYXIHBLSA-N 2 1 322.497 2.175 10 0 DEAEMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000247884446 145144359 /nfs/dbraw/zinc/14/43/59/145144359.db2.gz CRIAKXZUQYLWDX-DOTOQJQBSA-N 2 1 301.434 2.431 10 0 DEAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)CC[C@H]21 ZINC000247884446 145144360 /nfs/dbraw/zinc/14/43/60/145144360.db2.gz CRIAKXZUQYLWDX-DOTOQJQBSA-N 2 1 301.434 2.431 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)[nH+]1 ZINC000248554489 145158523 /nfs/dbraw/zinc/15/85/23/145158523.db2.gz HTUYBEXSBLBPAT-VXGBXAGGSA-N 2 1 303.328 2.047 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248759951 145166868 /nfs/dbraw/zinc/16/68/68/145166868.db2.gz YAJXNHXTJXCUFB-SJLPKXTDSA-N 2 1 324.428 2.323 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248759951 145166869 /nfs/dbraw/zinc/16/68/69/145166869.db2.gz YAJXNHXTJXCUFB-SJLPKXTDSA-N 2 1 324.428 2.323 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549650 145207223 /nfs/dbraw/zinc/20/72/23/145207223.db2.gz OWWSGCVNTPQTPM-HAGHYFMRSA-N 3 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549650 145207224 /nfs/dbraw/zinc/20/72/24/145207224.db2.gz OWWSGCVNTPQTPM-HAGHYFMRSA-N 2 1 313.489 2.486 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000261549650 145207225 /nfs/dbraw/zinc/20/72/25/145207225.db2.gz OWWSGCVNTPQTPM-HAGHYFMRSA-N 2 1 313.489 2.486 10 0 DEAEMP CN1c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cc2CCC1=O ZINC000261755489 145223186 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/nfs/dbraw/zinc/15/88/18/279158818.db2.gz DYZAAJFZCSHGSS-OWCLPIDISA-N 2 1 312.502 2.136 10 0 DEAEMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261960086 280083350 /nfs/dbraw/zinc/08/33/50/280083350.db2.gz PKSXQWFAJUUMHZ-ILOCAZANSA-N 2 1 310.482 2.184 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000246797678 288308367 /nfs/dbraw/zinc/30/83/67/288308367.db2.gz BRTIDGKNTZSVPK-ZBFHGGJFSA-N 2 1 322.497 2.127 10 0 DEAEMP CCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000105862533 522288914 /nfs/dbraw/zinc/28/89/14/522288914.db2.gz BGLVQIJTQVNAFY-ZDUSSCGKSA-N 2 1 311.495 2.230 10 0 DEAEMP CCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000105862533 522288920 /nfs/dbraw/zinc/28/89/20/522288920.db2.gz BGLVQIJTQVNAFY-ZDUSSCGKSA-N 2 1 311.495 2.230 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3ccn[nH]3)CC2)CC1 ZINC000191469171 535199657 /nfs/dbraw/zinc/19/96/57/535199657.db2.gz JZAXSNREEMWISV-UHFFFAOYSA-N 2 1 319.497 2.005 10 0 DEAEMP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554236 535297431 /nfs/dbraw/zinc/29/74/31/535297431.db2.gz UCHCWOOVWMSSQY-DLBZAZTESA-N 2 1 315.461 2.155 10 0 DEAEMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357898976 535306439 /nfs/dbraw/zinc/30/64/39/535306439.db2.gz DLJFCONVOBBUOF-MRXNPFEDSA-N 2 1 310.486 2.058 10 0 DEAEMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357898976 535306441 /nfs/dbraw/zinc/30/64/41/535306441.db2.gz DLJFCONVOBBUOF-MRXNPFEDSA-N 2 1 310.486 2.058 10 0 DEAEMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357898976 535306443 /nfs/dbraw/zinc/30/64/43/535306443.db2.gz DLJFCONVOBBUOF-MRXNPFEDSA-N 2 1 310.486 2.058 10 0 DEAEMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000262326171 535458244 /nfs/dbraw/zinc/45/82/44/535458244.db2.gz RSOBGZNGDWFIMX-UHFFFAOYSA-N 2 1 311.376 2.225 10 0 DEAEMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000357726685 535634700 /nfs/dbraw/zinc/63/47/00/535634700.db2.gz HTDYVWJOSRXHTM-INIZCTEOSA-N 2 1 307.482 2.195 10 0 DEAEMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC000357726685 535634707 /nfs/dbraw/zinc/63/47/07/535634707.db2.gz HTDYVWJOSRXHTM-INIZCTEOSA-N 2 1 307.482 2.195 10 0 DEAEMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C)o3)cn2)CC1 ZINC000061020249 646658568 /nfs/dbraw/zinc/65/85/68/646658568.db2.gz PQMOMIJYPYGXNU-UHFFFAOYSA-N 2 1 314.433 2.415 10 0 DEAEMP C[NH2+]CCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000712424920 792187009 /nfs/dbraw/zinc/18/70/09/792187009.db2.gz ZNKPRJWMDULJGP-UHFFFAOYSA-N 2 1 315.259 2.004 10 0 DEAEMP COCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623240 792980306 /nfs/dbraw/zinc/98/03/06/792980306.db2.gz YXAKLIFTPGCITK-FHWLQOOXSA-N 2 1 318.461 2.292 10 0 DEAEMP CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734579 793004847 /nfs/dbraw/zinc/00/48/47/793004847.db2.gz WEPXOBXBVZCEEM-DKIMLUQUSA-N 2 1 315.461 2.154 10 0 DEAEMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722141939 1085186483 /nfs/dbraw/zinc/18/64/83/1085186483.db2.gz ADQUABFPPRRJQS-CQSZACIVSA-N 2 1 303.233 2.192 10 0 DEAEMP C[N@H+]1CC[C@@](O)(C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722141939 1085186488 /nfs/dbraw/zinc/18/64/88/1085186488.db2.gz ADQUABFPPRRJQS-CQSZACIVSA-N 2 1 303.233 2.192 10 0 DEAEMP C[C@@H]([NH3+])CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720813059 1086154158 /nfs/dbraw/zinc/15/41/58/1086154158.db2.gz LXWQDILRVMJPSD-HHXXYDBFSA-N 2 1 315.461 2.094 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000710995319 1086692751 /nfs/dbraw/zinc/69/27/51/1086692751.db2.gz MHXNXDGKDGPPJZ-NJAFHUGGSA-N 2 1 318.461 2.496 10 0 DEAEMP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000710995319 1086692755 /nfs/dbraw/zinc/69/27/55/1086692755.db2.gz MHXNXDGKDGPPJZ-NJAFHUGGSA-N 2 1 318.461 2.496 10 0 DEAEMP CN1C[C@]2(CCC[N@@H+](Cc3cc(C[NH+](C)C)cs3)C2)OC1=O ZINC000072432374 282151033 /nfs/dbraw/zinc/15/10/33/282151033.db2.gz YOUFHOOFGHZSLZ-INIZCTEOSA-N 2 1 323.462 2.226 10 0 DEAEMP Cn1cc[nH+]c1CCn1c(N)[nH+]c2ccc(Br)cc21 ZINC000087837379 185233056 /nfs/dbraw/zinc/23/30/56/185233056.db2.gz WXLCINUGWXCFEV-UHFFFAOYSA-N 2 1 320.194 2.357 10 0 DEAEMP [NH3+][C@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCc2sccc2C1 ZINC000088397563 185248477 /nfs/dbraw/zinc/24/84/77/185248477.db2.gz PXKPPXINHZTFLR-HZPDHXFCSA-N 2 1 302.443 2.037 10 0 DEAEMP [NH3+][C@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCc2sccc2C1 ZINC000088397563 185248478 /nfs/dbraw/zinc/24/84/78/185248478.db2.gz PXKPPXINHZTFLR-HZPDHXFCSA-N 2 1 302.443 2.037 10 0 DEAEMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000272676303 210081127 /nfs/dbraw/zinc/08/11/27/210081127.db2.gz LTJKRSCRFXVORD-RYQLBKOJSA-N 2 1 306.450 2.148 10 0 DEAEMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000220526522 539727873 /nfs/dbraw/zinc/72/78/73/539727873.db2.gz RJTJJZDKBWHOJU-ZIAGYGMSSA-N 2 1 306.454 2.141 10 0 DEAEMP CC[NH2+][C@H](Cc1cccc(Cl)c1)C[C@H]1C[N@@H+](C)CCN1C ZINC000149665973 186051578 /nfs/dbraw/zinc/05/15/78/186051578.db2.gz INYTWMWVZRNVNV-SJORKVTESA-N 2 1 309.885 2.497 10 0 DEAEMP C[C@H]1CN(c2ccc(CC[NH3+])cc2C(F)(F)F)CC[N@H+]1C ZINC000163863688 186140390 /nfs/dbraw/zinc/14/03/90/186140390.db2.gz GCOPKIZSAXMTQO-NSHDSACASA-N 2 1 301.356 2.347 10 0 DEAEMP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303089418 539861102 /nfs/dbraw/zinc/86/11/02/539861102.db2.gz OSCUAAMTCAPRLS-ZWKOTPCHSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309693233 539878100 /nfs/dbraw/zinc/87/81/00/539878100.db2.gz CITYAIDGDOODMW-SJORKVTESA-N 2 1 303.450 2.093 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccccc32)[C@H](C)C1 ZINC000174775382 198383820 /nfs/dbraw/zinc/38/38/20/198383820.db2.gz RRZLUFKENWTZMI-WBVHZDCISA-N 2 1 315.461 2.238 10 0 DEAEMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400474684 283157746 /nfs/dbraw/zinc/15/77/46/283157746.db2.gz ZHSWEZWMJXQQBZ-OGWHTMIXSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H](N[C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000400474684 283157749 /nfs/dbraw/zinc/15/77/49/283157749.db2.gz ZHSWEZWMJXQQBZ-OGWHTMIXSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H](N[C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000400474684 283157752 /nfs/dbraw/zinc/15/77/52/283157752.db2.gz ZHSWEZWMJXQQBZ-OGWHTMIXSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474199 283156933 /nfs/dbraw/zinc/15/69/33/283156933.db2.gz ZCROUABMQZYINY-JFRXWTBNSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474199 283156938 /nfs/dbraw/zinc/15/69/38/283156938.db2.gz ZCROUABMQZYINY-JFRXWTBNSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474199 283156943 /nfs/dbraw/zinc/15/69/43/283156943.db2.gz ZCROUABMQZYINY-JFRXWTBNSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474199 283156948 /nfs/dbraw/zinc/15/69/48/283156948.db2.gz ZCROUABMQZYINY-JFRXWTBNSA-N 3 1 301.478 2.485 10 0 DEAEMP c1cn(-c2csc(C[N@H+]3CCC[C@H](n4ccnn4)C3)c2)cn1 ZINC000579829920 357038351 /nfs/dbraw/zinc/03/83/51/357038351.db2.gz XXGMRRAATHZXMP-ZDUSSCGKSA-N 2 1 314.418 2.362 10 0 DEAEMP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179620796 199065959 /nfs/dbraw/zinc/06/59/59/199065959.db2.gz VPICASQSCQVJDY-IAGOWNOFSA-N 2 1 318.465 2.073 10 0 DEAEMP c1csc(N2CCC([NH2+]C[C@@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC000275428549 212327552 /nfs/dbraw/zinc/32/75/52/212327552.db2.gz FBPCOBLHSUKEFP-ZDUSSCGKSA-N 2 1 317.462 2.161 10 0 DEAEMP CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000450677483 242089210 /nfs/dbraw/zinc/08/92/10/242089210.db2.gz GNXKDXNTANDOHB-YVEFUNNKSA-N 2 1 301.390 2.171 10 0 DEAEMP C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000093486724 193257981 /nfs/dbraw/zinc/25/79/81/193257981.db2.gz GSWZTTCSWHZHSP-DZGCQCFKSA-N 2 1 310.463 2.100 10 0 DEAEMP CC[NH2+][C@@H]1[C@@H](C[N@@H+](CCCOC)CCOC)CCC1(C)C ZINC000094317437 193359653 /nfs/dbraw/zinc/35/96/53/193359653.db2.gz VJTSVEOXUXTEPZ-HZPDHXFCSA-N 2 1 300.487 2.386 10 0 DEAEMP C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C[NH3+])CC1(C)C ZINC000094334303 193360181 /nfs/dbraw/zinc/36/01/81/193360181.db2.gz QGCUPHFGIBEPJV-UHFFFAOYSA-N 2 1 302.344 2.090 10 0 DEAEMP C[N@H+](CCCCCNC(=O)c1ccco1)C1CC[NH+](C)CC1 ZINC000041564537 183203108 /nfs/dbraw/zinc/20/31/08/183203108.db2.gz NTHZPVNICOPWEI-UHFFFAOYSA-N 2 1 307.438 2.206 10 0 DEAEMP C[N@@H+](CCCCCNC(=O)c1ccco1)C1CC[NH+](C)CC1 ZINC000041564537 183203110 /nfs/dbraw/zinc/20/31/10/183203110.db2.gz NTHZPVNICOPWEI-UHFFFAOYSA-N 2 1 307.438 2.206 10 0 DEAEMP Nc1[nH+]c2cc(Br)ccc2n1CC[NH+]1CCCC1 ZINC000054129574 183925774 /nfs/dbraw/zinc/92/57/74/183925774.db2.gz GSYCIYRSRDYGOC-UHFFFAOYSA-N 2 1 309.211 2.477 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000538315125 285031462 /nfs/dbraw/zinc/03/14/62/285031462.db2.gz DPSJNVUGPGBGCY-KRWDZBQOSA-N 2 1 303.450 2.061 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000120596051 195199240 /nfs/dbraw/zinc/19/92/40/195199240.db2.gz DJBJBOFTWIZPHI-GVDBMIGSSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000120596051 195199241 /nfs/dbraw/zinc/19/92/41/195199241.db2.gz DJBJBOFTWIZPHI-GVDBMIGSSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000120596051 195199243 /nfs/dbraw/zinc/19/92/43/195199243.db2.gz DJBJBOFTWIZPHI-GVDBMIGSSA-N 2 1 324.513 2.279 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245678800 285285702 /nfs/dbraw/zinc/28/57/02/285285702.db2.gz GESXQMZGPVEJSR-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP c1cncc(C[N@@H+]2CC3(C[C@@H]2COCC2CC2)CC[NH2+]CC3)c1 ZINC000096209817 257133141 /nfs/dbraw/zinc/13/31/41/257133141.db2.gz HTJSGGSEPNXATR-GOSISDBHSA-N 2 1 315.461 2.452 10 0 DEAEMP CC[NH+](CC)CCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000191784219 145064579 /nfs/dbraw/zinc/06/45/79/145064579.db2.gz CBEWUJJHNZXIPN-UHFFFAOYSA-N 2 1 305.470 2.029 10 0 DEAEMP CC[NH+](CC)CCC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000191784219 145064581 /nfs/dbraw/zinc/06/45/81/145064581.db2.gz CBEWUJJHNZXIPN-UHFFFAOYSA-N 2 1 305.470 2.029 10 0 DEAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000246337608 145099639 /nfs/dbraw/zinc/09/96/39/145099639.db2.gz GOXWTUBDSJFYAK-LGWLGOQQSA-N 2 1 301.434 2.431 10 0 DEAEMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(C)(C)C ZINC000246877131 145117476 /nfs/dbraw/zinc/11/74/76/145117476.db2.gz FWKBSABWECXPGB-HOTGVXAUSA-N 2 1 324.513 2.233 10 0 DEAEMP NC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246976239 145121726 /nfs/dbraw/zinc/12/17/26/145121726.db2.gz VRJASDJYINUBIQ-WMZOPIPTSA-N 2 1 313.445 2.234 10 0 DEAEMP NC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246976239 145121727 /nfs/dbraw/zinc/12/17/27/145121727.db2.gz VRJASDJYINUBIQ-WMZOPIPTSA-N 2 1 313.445 2.234 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC000247133938 145126742 /nfs/dbraw/zinc/12/67/42/145126742.db2.gz SMIFZRXUANJBPU-MSOLQXFVSA-N 2 1 324.428 2.461 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccccc2)C1=O ZINC000247133938 145126744 /nfs/dbraw/zinc/12/67/44/145126744.db2.gz SMIFZRXUANJBPU-MSOLQXFVSA-N 2 1 324.428 2.461 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000247206018 145129149 /nfs/dbraw/zinc/12/91/49/145129149.db2.gz VJOKCVRAONPSSX-MCIONIFRSA-N 2 1 308.857 2.386 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000247206018 145129150 /nfs/dbraw/zinc/12/91/50/145129150.db2.gz VJOKCVRAONPSSX-MCIONIFRSA-N 2 1 308.857 2.386 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000247256022 145130453 /nfs/dbraw/zinc/13/04/53/145130453.db2.gz UWOWUIGMUBLCNG-JZXOWHBKSA-N 2 1 306.450 2.088 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2)[C@@H](C)C1 ZINC000247256022 145130455 /nfs/dbraw/zinc/13/04/55/145130455.db2.gz UWOWUIGMUBLCNG-JZXOWHBKSA-N 2 1 306.450 2.088 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328625 145133699 /nfs/dbraw/zinc/13/36/99/145133699.db2.gz YIRRGRMDFFYJHQ-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328625 145133700 /nfs/dbraw/zinc/13/37/00/145133700.db2.gz YIRRGRMDFFYJHQ-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H](C)C1 ZINC000247328625 145133701 /nfs/dbraw/zinc/13/37/01/145133701.db2.gz YIRRGRMDFFYJHQ-WMLDXEAASA-N 2 1 303.450 2.208 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nc1 ZINC000247954908 145145632 /nfs/dbraw/zinc/14/56/32/145145632.db2.gz FKNGOKXCQXWAFS-RDJZCZTQSA-N 2 1 302.466 2.431 10 0 DEAEMP Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nc1 ZINC000247954908 145145633 /nfs/dbraw/zinc/14/56/33/145145633.db2.gz FKNGOKXCQXWAFS-RDJZCZTQSA-N 2 1 302.466 2.431 10 0 DEAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248825657 145169367 /nfs/dbraw/zinc/16/93/67/145169367.db2.gz GWTJAHIRULTFKD-LSDHHAIUSA-N 2 1 303.406 2.142 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248825657 145169370 /nfs/dbraw/zinc/16/93/70/145169370.db2.gz GWTJAHIRULTFKD-LSDHHAIUSA-N 2 1 303.406 2.142 10 0 DEAEMP CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249824203 145190976 /nfs/dbraw/zinc/19/09/76/145190976.db2.gz IVNTTZAYVMZKIA-WBVHZDCISA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249824203 145190978 /nfs/dbraw/zinc/19/09/78/145190978.db2.gz IVNTTZAYVMZKIA-WBVHZDCISA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249824203 145190979 /nfs/dbraw/zinc/19/09/79/145190979.db2.gz IVNTTZAYVMZKIA-WBVHZDCISA-N 2 1 303.450 2.107 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000252648878 145199938 /nfs/dbraw/zinc/19/99/38/145199938.db2.gz NLBMRGDFIXLMAD-HOTGVXAUSA-N 2 1 318.465 2.482 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000252648878 145199939 /nfs/dbraw/zinc/19/99/39/145199939.db2.gz NLBMRGDFIXLMAD-HOTGVXAUSA-N 2 1 318.465 2.482 10 0 DEAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261679572 145216176 /nfs/dbraw/zinc/21/61/76/145216176.db2.gz AEOQHUSCGDDYPS-IBGZPJMESA-N 2 1 315.461 2.223 10 0 DEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819269 145230790 /nfs/dbraw/zinc/23/07/90/145230790.db2.gz IFTYADLNZWZPMC-WCQYABFASA-N 2 1 305.447 2.159 10 0 DEAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819269 145230792 /nfs/dbraw/zinc/23/07/92/145230792.db2.gz IFTYADLNZWZPMC-WCQYABFASA-N 2 1 305.447 2.159 10 0 DEAEMP C[C@@H]1C[C@H](CCNC2=[NH+]CCCN2)C[N@H+]1Cc1ccccc1 ZINC000261862070 145234343 /nfs/dbraw/zinc/23/43/43/145234343.db2.gz NHVGXAAXOQTVDJ-WBVHZDCISA-N 2 1 300.450 2.226 10 0 DEAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261868890 145235658 /nfs/dbraw/zinc/23/56/58/145235658.db2.gz XQQUKJDWEHMDID-KZNAEPCWSA-N 2 1 315.461 2.142 10 0 DEAEMP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261934803 145244209 /nfs/dbraw/zinc/24/42/09/145244209.db2.gz MCWXZRAIUZWSQI-GUDVDZBRSA-N 2 1 318.461 2.470 10 0 DEAEMP Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261952243 145246326 /nfs/dbraw/zinc/24/63/26/145246326.db2.gz OMQZXLNQPGOWPT-BBWFWOEESA-N 2 1 304.434 2.121 10 0 DEAEMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261961620 145246796 /nfs/dbraw/zinc/24/67/96/145246796.db2.gz PQYPASYQXMKVFS-KZNAEPCWSA-N 2 1 300.446 2.465 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1F ZINC000262038499 145255939 /nfs/dbraw/zinc/25/59/39/145255939.db2.gz YHJIZKSHNRFTOK-SRABZTEZSA-N 2 1 322.424 2.340 10 0 DEAEMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262114010 145263247 /nfs/dbraw/zinc/26/32/47/145263247.db2.gz WRYZZXLSHADQIF-LPHOPBHVSA-N 2 1 317.477 2.373 10 0 DEAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073665117 401719963 /nfs/dbraw/zinc/71/99/63/401719963.db2.gz HUIRHHZJERWGPV-MGNMYUMUSA-N 2 1 322.497 2.175 10 0 DEAEMP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123321602 402121560 /nfs/dbraw/zinc/12/15/60/402121560.db2.gz PAVPYNGEIOJNPP-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123321602 402121561 /nfs/dbraw/zinc/12/15/61/402121561.db2.gz PAVPYNGEIOJNPP-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123321602 402121563 /nfs/dbraw/zinc/12/15/63/402121563.db2.gz PAVPYNGEIOJNPP-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123321602 402121566 /nfs/dbraw/zinc/12/15/66/402121566.db2.gz PAVPYNGEIOJNPP-HOCLYGCPSA-N 2 1 319.449 2.438 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NCC2CCCCC2)CCN1C ZINC000123131488 402112045 /nfs/dbraw/zinc/11/20/45/402112045.db2.gz VJKLPTMTDWCODA-WBVHZDCISA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)CC[N@@H+]1C ZINC000123131488 402112047 /nfs/dbraw/zinc/11/20/47/402112047.db2.gz VJKLPTMTDWCODA-WBVHZDCISA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)CC[N@H+]1C ZINC000123131488 402112051 /nfs/dbraw/zinc/11/20/51/402112051.db2.gz VJKLPTMTDWCODA-WBVHZDCISA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NCC2CCCCC2)CC[NH+]1C ZINC000123131488 402112053 /nfs/dbraw/zinc/11/20/53/402112053.db2.gz VJKLPTMTDWCODA-WBVHZDCISA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NCC2CCCCC2)CC[NH+]1C ZINC000123131488 402112056 /nfs/dbraw/zinc/11/20/56/402112056.db2.gz VJKLPTMTDWCODA-WBVHZDCISA-N 2 1 309.498 2.488 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000123711113 402142370 /nfs/dbraw/zinc/14/23/70/402142370.db2.gz OGJJTCQYKDHRKX-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000123711113 402142372 /nfs/dbraw/zinc/14/23/72/402142372.db2.gz OGJJTCQYKDHRKX-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000123711113 402142375 /nfs/dbraw/zinc/14/23/75/402142375.db2.gz OGJJTCQYKDHRKX-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000123711113 402142378 /nfs/dbraw/zinc/14/23/78/402142378.db2.gz OGJJTCQYKDHRKX-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC000101991626 402160724 /nfs/dbraw/zinc/16/07/24/402160724.db2.gz SSYSCOZYXYUIQA-KRWDZBQOSA-N 2 1 324.513 2.140 10 0 DEAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184655207 402289153 /nfs/dbraw/zinc/28/91/53/402289153.db2.gz IHFNMYLBOSZHQM-IRXDYDNUSA-N 2 1 309.498 2.046 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184655207 402289154 /nfs/dbraw/zinc/28/91/54/402289154.db2.gz IHFNMYLBOSZHQM-IRXDYDNUSA-N 2 1 309.498 2.046 10 0 DEAEMP CCN(CC)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157922338 402299939 /nfs/dbraw/zinc/29/99/39/402299939.db2.gz MPXXOJPIIUHILQ-IAGOWNOFSA-N 2 1 311.514 2.149 10 0 DEAEMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCOCC2 ZINC000186220430 402412038 /nfs/dbraw/zinc/41/20/38/402412038.db2.gz KGWONEBAEQDKCS-IAGOWNOFSA-N 2 1 308.466 2.177 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC1CCC(C)CC1 ZINC000178286597 402480034 /nfs/dbraw/zinc/48/00/34/402480034.db2.gz PDTLNCHHZVKCCE-BDVYOWHSSA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC1CCC(C)CC1 ZINC000178286597 402480036 /nfs/dbraw/zinc/48/00/36/402480036.db2.gz PDTLNCHHZVKCCE-BDVYOWHSSA-N 2 1 318.465 2.351 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000166044433 402481321 /nfs/dbraw/zinc/48/13/21/402481321.db2.gz LVRIWKWSYMZJSY-QXSJWSMHSA-N 2 1 309.498 2.377 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246162064 402514034 /nfs/dbraw/zinc/51/40/34/402514034.db2.gz FAOODDOUAIZTAW-CABCVRRESA-N 2 1 312.502 2.088 10 0 DEAEMP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246176510 402515532 /nfs/dbraw/zinc/51/55/32/402515532.db2.gz BQUDBAGSEZVZMP-KURKYZTESA-N 2 1 315.461 2.237 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000246245538 402519497 /nfs/dbraw/zinc/51/94/97/402519497.db2.gz JHXVMGJPGKAEQX-UBDQQSCGSA-N 2 1 315.461 2.283 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000170757480 402521156 /nfs/dbraw/zinc/52/11/56/402521156.db2.gz VNEMZNUDEVWKOF-RDJZCZTQSA-N 2 1 320.481 2.319 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246362015 402527064 /nfs/dbraw/zinc/52/70/64/402527064.db2.gz GQLWYZVXMYHXIL-JYJNAYRXSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246362015 402527068 /nfs/dbraw/zinc/52/70/68/402527068.db2.gz GQLWYZVXMYHXIL-JYJNAYRXSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246362015 402527069 /nfs/dbraw/zinc/52/70/69/402527069.db2.gz GQLWYZVXMYHXIL-JYJNAYRXSA-N 2 1 312.502 2.088 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246472384 402532621 /nfs/dbraw/zinc/53/26/21/402532621.db2.gz 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Cc1ncsc1CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000172536663 402661482 /nfs/dbraw/zinc/66/14/82/402661482.db2.gz SSDYGFARMISXKF-MRXNPFEDSA-N 2 1 322.522 2.096 10 0 DEAEMP Cc1ncsc1CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000172536663 402661483 /nfs/dbraw/zinc/66/14/83/402661483.db2.gz SSDYGFARMISXKF-MRXNPFEDSA-N 2 1 322.522 2.096 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213366 402672617 /nfs/dbraw/zinc/67/26/17/402672617.db2.gz XEKFLBLKRPFXGT-HUUCEWRRSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213366 402672618 /nfs/dbraw/zinc/67/26/18/402672618.db2.gz XEKFLBLKRPFXGT-HUUCEWRRSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182213366 402672619 /nfs/dbraw/zinc/67/26/19/402672619.db2.gz XEKFLBLKRPFXGT-HUUCEWRRSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182213366 402672620 /nfs/dbraw/zinc/67/26/20/402672620.db2.gz XEKFLBLKRPFXGT-HUUCEWRRSA-N 2 1 320.433 2.267 10 0 DEAEMP CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000182533642 402697733 /nfs/dbraw/zinc/69/77/33/402697733.db2.gz STMGEKXDADZKKP-RDJZCZTQSA-N 2 1 305.466 2.353 10 0 DEAEMP COc1cccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173529578 402701345 /nfs/dbraw/zinc/70/13/45/402701345.db2.gz ZZVFUKCJRVMKMW-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173529578 402701348 /nfs/dbraw/zinc/70/13/48/402701348.db2.gz ZZVFUKCJRVMKMW-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173529578 402701350 /nfs/dbraw/zinc/70/13/50/402701350.db2.gz ZZVFUKCJRVMKMW-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1cccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173529578 402701354 /nfs/dbraw/zinc/70/13/54/402701354.db2.gz ZZVFUKCJRVMKMW-GDBMZVCRSA-N 2 1 319.449 2.438 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000173530256 402701907 /nfs/dbraw/zinc/70/19/07/402701907.db2.gz CGLJNARMHAYYAQ-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262100164 402722643 /nfs/dbraw/zinc/72/26/43/402722643.db2.gz VNDUNXHVQZKWJK-NVXWUHKLSA-N 2 1 323.506 2.053 10 0 DEAEMP C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262100164 402722645 /nfs/dbraw/zinc/72/26/45/402722645.db2.gz VNDUNXHVQZKWJK-NVXWUHKLSA-N 2 1 323.506 2.053 10 0 DEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767673 403111670 /nfs/dbraw/zinc/11/16/70/403111670.db2.gz RAOJHBZOBSPHBA-RDJZCZTQSA-N 2 1 317.477 2.401 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767673 403111671 /nfs/dbraw/zinc/11/16/71/403111671.db2.gz RAOJHBZOBSPHBA-RDJZCZTQSA-N 2 1 317.477 2.401 10 0 DEAEMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C=O)CC2)[C@H]1c1cccs1 ZINC000365495672 404676204 /nfs/dbraw/zinc/67/62/04/404676204.db2.gz SDZOUARQJGJIQI-PBHICJAKSA-N 2 1 321.490 2.341 10 0 DEAEMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C=O)CC2)[C@H]1c1cccs1 ZINC000365495672 404676209 /nfs/dbraw/zinc/67/62/09/404676209.db2.gz SDZOUARQJGJIQI-PBHICJAKSA-N 2 1 321.490 2.341 10 0 DEAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379662727 405027647 /nfs/dbraw/zinc/02/76/47/405027647.db2.gz JCNOBANOLZKXQM-JQHSSLGASA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000396337312 405056643 /nfs/dbraw/zinc/05/66/43/405056643.db2.gz VTQSLKMOUNSNCR-WMZOPIPTSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396337312 405056649 /nfs/dbraw/zinc/05/66/49/405056649.db2.gz VTQSLKMOUNSNCR-WMZOPIPTSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452317 405063550 /nfs/dbraw/zinc/06/35/50/405063550.db2.gz RLDZUHXAJAAYJM-UHOSZYNNSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452317 405063552 /nfs/dbraw/zinc/06/35/52/405063552.db2.gz RLDZUHXAJAAYJM-UHOSZYNNSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400452317 405063556 /nfs/dbraw/zinc/06/35/56/405063556.db2.gz RLDZUHXAJAAYJM-UHOSZYNNSA-N 3 1 301.478 2.486 10 0 DEAEMP CC[C@H]([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851755 405715855 /nfs/dbraw/zinc/71/58/55/405715855.db2.gz RQKZHHQPHNPRRN-SJORKVTESA-N 2 1 303.450 2.285 10 0 DEAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000195258127 225199858 /nfs/dbraw/zinc/19/98/58/225199858.db2.gz JNWTVPWQAOPXMS-OAHLLOKOSA-N 2 1 311.495 2.368 10 0 DEAEMP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876239 424849434 /nfs/dbraw/zinc/84/94/34/424849434.db2.gz SOCCHDTTWHZWFB-OAHLLOKOSA-N 2 1 320.481 2.370 10 0 DEAEMP C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000407360414 424932590 /nfs/dbraw/zinc/93/25/90/424932590.db2.gz HEJSZZPGMDHDAC-ZTFGCOKTSA-N 2 1 315.461 2.154 10 0 DEAEMP CCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262469068 279009132 /nfs/dbraw/zinc/00/91/32/279009132.db2.gz YBAGAEXSJXBNSQ-BFYDXBDKSA-N 2 1 303.450 2.265 10 0 DEAEMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261850017 280501225 /nfs/dbraw/zinc/50/12/25/280501225.db2.gz BEHIABKIEGJSRS-RCCFBDPRSA-N 2 1 311.429 2.482 10 0 DEAEMP CC[NH+](CC)CCN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328625394 528119527 /nfs/dbraw/zinc/11/95/27/528119527.db2.gz DDFOPGHSOOOYQO-FUHWJXTLSA-N 2 1 321.513 2.077 10 0 DEAEMP C[C@@]1(CNC[C@H](O)C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000309915282 625242903 /nfs/dbraw/zinc/24/29/03/625242903.db2.gz UDBYRXCSULZACK-GJZGRUSLSA-N 2 1 316.367 2.411 10 0 DEAEMP C[C@@]1(C[NH2+]C[C@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000309915282 625242908 /nfs/dbraw/zinc/24/29/08/625242908.db2.gz UDBYRXCSULZACK-GJZGRUSLSA-N 2 1 316.367 2.411 10 0 DEAEMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000229081525 646666091 /nfs/dbraw/zinc/66/60/91/646666091.db2.gz MYTOSQWBMFBSLM-ZFWWWQNUSA-N 2 1 311.470 2.364 10 0 DEAEMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399493 647473634 /nfs/dbraw/zinc/47/36/34/647473634.db2.gz KTPGSOYGSOWMBY-FUHWJXTLSA-N 2 1 320.477 2.405 10 0 DEAEMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399493 647473635 /nfs/dbraw/zinc/47/36/35/647473635.db2.gz KTPGSOYGSOWMBY-FUHWJXTLSA-N 2 1 320.477 2.405 10 0 DEAEMP CC(C)OC[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000381767838 685401956 /nfs/dbraw/zinc/40/19/56/685401956.db2.gz PDPDPRQRNMROIQ-RBUKOAKNSA-N 2 1 320.477 2.274 10 0 DEAEMP C[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000721853497 780372576 /nfs/dbraw/zinc/37/25/76/780372576.db2.gz AIAKKABRMVNWIX-CQSZACIVSA-N 2 1 311.470 2.316 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000716240992 792944002 /nfs/dbraw/zinc/94/40/02/792944002.db2.gz IBNJZPJTIWAFEV-JWHDQAAXSA-N 2 1 316.445 2.187 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000716240992 792944010 /nfs/dbraw/zinc/94/40/10/792944010.db2.gz IBNJZPJTIWAFEV-JWHDQAAXSA-N 2 1 316.445 2.187 10 0 DEAEMP O[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638690 792981926 /nfs/dbraw/zinc/98/19/26/792981926.db2.gz PUYHTDDGTYRZBK-VMXHOPILSA-N 2 1 300.446 2.400 10 0 DEAEMP [NH3+]C[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1C(F)(F)F ZINC000720843580 1086289561 /nfs/dbraw/zinc/28/95/61/1086289561.db2.gz IPKRCLOVFDJUBC-DTWKUNHWSA-N 2 1 308.266 2.024 10 0 DEAEMP C[C@@]12CN(CC34CC(C3)C[NH2+]4)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702052842 1086402116 /nfs/dbraw/zinc/40/21/16/1086402116.db2.gz AJBRFOPOIKDTBD-FUFFSDJGSA-N 2 1 311.473 2.192 10 0 DEAEMP C[C@]12CN(C[C@H]3CCC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702087769 1086406782 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C[C@H]([NH3+])c1csc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000080807822 192192649 /nfs/dbraw/zinc/19/26/49/192192649.db2.gz SNFFHNLWFSNUJJ-ZDUSSCGKSA-N 2 1 302.447 2.485 10 0 DEAEMP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328650290 356466949 /nfs/dbraw/zinc/46/69/49/356466949.db2.gz VNTJOEHWLFWHQB-XJKSGUPXSA-N 2 1 303.381 2.250 10 0 DEAEMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328650290 356466950 /nfs/dbraw/zinc/46/69/50/356466950.db2.gz VNTJOEHWLFWHQB-XJKSGUPXSA-N 2 1 303.381 2.250 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000193444655 201051067 /nfs/dbraw/zinc/05/10/67/201051067.db2.gz QSIRHGXARYWXRP-OAHLLOKOSA-N 2 1 321.469 2.222 10 0 DEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1csc(Br)c1 ZINC000091313904 193037804 /nfs/dbraw/zinc/03/78/04/193037804.db2.gz XCXUFJWSQPVBKB-NSHDSACASA-N 2 1 319.268 2.321 10 0 DEAEMP CCC[NH2+]C1CCC([N@@H+](C)CCCS(=O)(=O)CC)CC1 ZINC000091870130 193121050 /nfs/dbraw/zinc/12/10/50/193121050.db2.gz SCRYBDNQLDWRSF-UHFFFAOYSA-N 2 1 304.500 2.054 10 0 DEAEMP c1cc(OCCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc2c1OCO2 ZINC000631886511 368441949 /nfs/dbraw/zinc/44/19/49/368441949.db2.gz IGUBFAAKIQMPJT-HOCLYGCPSA-N 2 1 318.417 2.258 10 0 DEAEMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc2c1OCCO2 ZINC000093088829 193202146 /nfs/dbraw/zinc/20/21/46/193202146.db2.gz VERNPBDRBGLGER-UHFFFAOYSA-N 2 1 320.433 2.240 10 0 DEAEMP CC[NH2+][C@]1(CO)CCC[C@@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093783417 193307709 /nfs/dbraw/zinc/30/77/09/193307709.db2.gz WARFXYYHWFUUQR-IAGOWNOFSA-N 2 1 300.487 2.407 10 0 DEAEMP CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093891072 193324089 /nfs/dbraw/zinc/32/40/89/193324089.db2.gz NMXSPNFQBQEMEZ-UHFFFAOYSA-N 2 1 311.857 2.263 10 0 DEAEMP CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093891072 193324091 /nfs/dbraw/zinc/32/40/91/193324091.db2.gz NMXSPNFQBQEMEZ-UHFFFAOYSA-N 2 1 311.857 2.263 10 0 DEAEMP C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000094024722 193340333 /nfs/dbraw/zinc/34/03/33/193340333.db2.gz OOWBLSNKHBHTOL-UHFFFAOYSA-N 2 1 313.804 2.349 10 0 DEAEMP C[N@@H+](Cc1ccc(Br)cc1N)C[C@H]1CC[NH+](C)C1 ZINC000094048043 193341861 /nfs/dbraw/zinc/34/18/61/193341861.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP C[N@H+](Cc1ccc(Br)cc1N)C[C@H]1CC[NH+](C)C1 ZINC000094048043 193341863 /nfs/dbraw/zinc/34/18/63/193341863.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)cc1N)C[C@H]1CC[N@H+](C)C1 ZINC000094048043 193341865 /nfs/dbraw/zinc/34/18/65/193341865.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP C[NH+](Cc1ccc(Br)cc1N)C[C@H]1CC[N@@H+](C)C1 ZINC000094048043 193341866 /nfs/dbraw/zinc/34/18/66/193341866.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 2 1 312.255 2.415 10 0 DEAEMP CCC[NH2+][C@](C)(CO)CCCC[N@@H+](C)CCOCC1CC1 ZINC000094995622 193412384 /nfs/dbraw/zinc/41/23/84/193412384.db2.gz KRVNTYWURMRUDU-KRWDZBQOSA-N 2 1 300.487 2.266 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458454330 248317559 /nfs/dbraw/zinc/31/75/59/248317559.db2.gz JZHULWAAQAVCJB-KRWDZBQOSA-N 2 1 324.513 2.233 10 0 DEAEMP C[N@@H+]1CCC[C@H](Nc2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000040716156 183122996 /nfs/dbraw/zinc/12/29/96/183122996.db2.gz NLMMXGBOSUINNB-NSHDSACASA-N 2 1 300.431 2.375 10 0 DEAEMP C[N@H+]1CCC[C@H](Nc2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000040716156 183122999 /nfs/dbraw/zinc/12/29/99/183122999.db2.gz NLMMXGBOSUINNB-NSHDSACASA-N 2 1 300.431 2.375 10 0 DEAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1CCOC ZINC000110031114 194304306 /nfs/dbraw/zinc/30/43/06/194304306.db2.gz LXUPZUXUHJENRS-MRXNPFEDSA-N 2 1 321.465 2.250 10 0 DEAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1CCOC ZINC000110031114 194304308 /nfs/dbraw/zinc/30/43/08/194304308.db2.gz LXUPZUXUHJENRS-MRXNPFEDSA-N 2 1 321.465 2.250 10 0 DEAEMP CCOCC[N@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000111121846 194392417 /nfs/dbraw/zinc/39/24/17/194392417.db2.gz XMHYWRYFHGASTF-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCOCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C)C(=O)OCC ZINC000111121846 194392419 /nfs/dbraw/zinc/39/24/19/194392419.db2.gz XMHYWRYFHGASTF-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2SC)CC1 ZINC000063165991 184275072 /nfs/dbraw/zinc/27/50/72/184275072.db2.gz JLWFVOXITFYYES-UHFFFAOYSA-N 2 1 307.463 2.278 10 0 DEAEMP CC(C)COc1cccc(C[NH+]2CCN(CCC[NH3+])CC2)c1 ZINC000066143135 184393269 /nfs/dbraw/zinc/39/32/69/184393269.db2.gz HUSHZIXHYMXJIG-UHFFFAOYSA-N 2 1 305.466 2.188 10 0 DEAEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000542746541 285247105 /nfs/dbraw/zinc/24/71/05/285247105.db2.gz SOAFVSRIVBWSPI-MRXNPFEDSA-N 2 1 312.502 2.234 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671547 133194167 /nfs/dbraw/zinc/19/41/67/133194167.db2.gz LHMHLZLIKKJXCC-VQIMIIECSA-N 2 1 315.461 2.411 10 0 DEAEMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC4OCCO4)C[C@@H]3C2)cc1 ZINC000377778133 133346581 /nfs/dbraw/zinc/34/65/81/133346581.db2.gz OWABDGDJTJUHHI-ROUUACIJSA-N 2 1 316.445 2.203 10 0 DEAEMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC4OCCO4)C[C@@H]3C2)cc1 ZINC000377778133 133346582 /nfs/dbraw/zinc/34/65/82/133346582.db2.gz OWABDGDJTJUHHI-ROUUACIJSA-N 2 1 316.445 2.203 10 0 DEAEMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC4OCCO4)C[C@@H]3C2)cc1 ZINC000377778133 133346583 /nfs/dbraw/zinc/34/65/83/133346583.db2.gz OWABDGDJTJUHHI-ROUUACIJSA-N 2 1 316.445 2.203 10 0 DEAEMP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373115146 133378483 /nfs/dbraw/zinc/37/84/83/133378483.db2.gz HVLLWIKMGAUQAS-ROUUACIJSA-N 2 1 312.498 2.362 10 0 DEAEMP CC(C)[NH2+]CCN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191536035 145060184 /nfs/dbraw/zinc/06/01/84/145060184.db2.gz WQNXNTPDUGZTSL-CALCHBBNSA-N 3 1 311.514 2.196 10 0 DEAEMP COc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246568925 145106677 /nfs/dbraw/zinc/10/66/77/145106677.db2.gz FJTOXPJCSKGYLQ-MAUKXSAKSA-N 2 1 304.434 2.490 10 0 DEAEMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246568925 145106678 /nfs/dbraw/zinc/10/66/78/145106678.db2.gz FJTOXPJCSKGYLQ-MAUKXSAKSA-N 2 1 304.434 2.490 10 0 DEAEMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246568925 145106680 /nfs/dbraw/zinc/10/66/80/145106680.db2.gz FJTOXPJCSKGYLQ-MAUKXSAKSA-N 2 1 304.434 2.490 10 0 DEAEMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246915123 145119010 /nfs/dbraw/zinc/11/90/10/145119010.db2.gz GFYKTKVHSZTWRA-ZFWWWQNUSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246915123 145119011 /nfs/dbraw/zinc/11/90/11/145119011.db2.gz GFYKTKVHSZTWRA-ZFWWWQNUSA-N 2 1 306.454 2.349 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247471593 145138647 /nfs/dbraw/zinc/13/86/47/145138647.db2.gz VHNGWBXSNPEKPH-NXHRZFHOSA-N 2 1 317.477 2.004 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247471593 145138648 /nfs/dbraw/zinc/13/86/48/145138648.db2.gz VHNGWBXSNPEKPH-NXHRZFHOSA-N 2 1 317.477 2.004 10 0 DEAEMP O=C1O[C@@H](C[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC12CCC2 ZINC000248908914 145173310 /nfs/dbraw/zinc/17/33/10/145173310.db2.gz XMHGRHPHDHQXIV-LSDHHAIUSA-N 2 1 315.417 2.301 10 0 DEAEMP O=C1O[C@@H](C[N@H+]2CC[C@H](CNc3ccccn3)C2)CC12CCC2 ZINC000248908909 145173882 /nfs/dbraw/zinc/17/38/82/145173882.db2.gz XMHGRHPHDHQXIV-HUUCEWRRSA-N 2 1 315.417 2.301 10 0 DEAEMP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261549156 145207276 /nfs/dbraw/zinc/20/72/76/145207276.db2.gz OGTAHBCRDAIHPY-SQNIBIBYSA-N 2 1 315.461 2.237 10 0 DEAEMP CC1(C)CCC[NH2+][C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554240 145207996 /nfs/dbraw/zinc/20/79/96/145207996.db2.gz UCHCWOOVWMSSQY-IRXDYDNUSA-N 2 1 315.461 2.155 10 0 DEAEMP Cn1c2ccc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cc2sc1=O ZINC000261642306 145213269 /nfs/dbraw/zinc/21/32/69/145213269.db2.gz AIXMIYDXXDOFSQ-CYBMUJFWSA-N 2 1 305.447 2.174 10 0 DEAEMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261661173 145214410 /nfs/dbraw/zinc/21/44/10/145214410.db2.gz GHUKOYQPZOIMIU-OAHLLOKOSA-N 2 1 311.429 2.264 10 0 DEAEMP C[C@]1(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707706 145219006 /nfs/dbraw/zinc/21/90/06/145219006.db2.gz DFRJZWWUPLCBEQ-SFHVURJKSA-N 2 1 305.441 2.333 10 0 DEAEMP C[C@]1(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707706 145219007 /nfs/dbraw/zinc/21/90/07/145219007.db2.gz DFRJZWWUPLCBEQ-SFHVURJKSA-N 2 1 305.441 2.333 10 0 DEAEMP C[C@]1(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707706 145219009 /nfs/dbraw/zinc/21/90/09/145219009.db2.gz DFRJZWWUPLCBEQ-SFHVURJKSA-N 2 1 305.441 2.333 10 0 DEAEMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261810813 145228885 /nfs/dbraw/zinc/22/88/85/145228885.db2.gz GNAXVJGASYSPDT-ZIAGYGMSSA-N 2 1 313.405 2.422 10 0 DEAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819263 145230404 /nfs/dbraw/zinc/23/04/04/145230404.db2.gz IFTYADLNZWZPMC-DGCLKSJQSA-N 2 1 305.447 2.159 10 0 DEAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819263 145230406 /nfs/dbraw/zinc/23/04/06/145230406.db2.gz IFTYADLNZWZPMC-DGCLKSJQSA-N 2 1 305.447 2.159 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000261926933 145242650 /nfs/dbraw/zinc/24/26/50/145242650.db2.gz LFHALFCLUMGEMT-OIISXLGYSA-N 2 1 322.424 2.471 10 0 DEAEMP Cn1ccnc1C[N@@H+](C[C@@H]1CCSC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261948725 145245557 /nfs/dbraw/zinc/24/55/57/145245557.db2.gz NQLXXYDOIZOAFD-LSDHHAIUSA-N 2 1 320.506 2.117 10 0 DEAEMP CCOC(=O)[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952016 145246642 /nfs/dbraw/zinc/24/66/42/145246642.db2.gz GCESDWGJIYXYEM-WMZOPIPTSA-N 2 1 302.418 2.149 10 0 DEAEMP CCOC(=O)[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952016 145246643 /nfs/dbraw/zinc/24/66/43/145246643.db2.gz GCESDWGJIYXYEM-WMZOPIPTSA-N 2 1 302.418 2.149 10 0 DEAEMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261960087 145247215 /nfs/dbraw/zinc/24/72/15/145247215.db2.gz PKSXQWFAJUUMHZ-WKULXVSPSA-N 2 1 310.482 2.184 10 0 DEAEMP O=C(CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000262118769 145263919 /nfs/dbraw/zinc/26/39/19/145263919.db2.gz NCFMGDWLXKLELC-QGZVFWFLSA-N 2 1 319.424 2.175 10 0 DEAEMP O=C(CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000262118768 145264113 /nfs/dbraw/zinc/26/41/13/145264113.db2.gz NCFMGDWLXKLELC-KRWDZBQOSA-N 2 1 319.424 2.175 10 0 DEAEMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000305877604 145348735 /nfs/dbraw/zinc/34/87/35/145348735.db2.gz SBKSOJPCISNBDD-KZNAEPCWSA-N 2 1 300.446 2.402 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000358660986 147175933 /nfs/dbraw/zinc/17/59/33/147175933.db2.gz HHZQSEHAGACRBL-INIZCTEOSA-N 2 1 322.497 2.010 10 0 DEAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000370763213 148053543 /nfs/dbraw/zinc/05/35/43/148053543.db2.gz HBLJMKFFOJRCMX-KZNAEPCWSA-N 2 1 315.461 2.142 10 0 DEAEMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000076004620 401777144 /nfs/dbraw/zinc/77/71/44/401777144.db2.gz JIIBATPKPOPJLL-MSOLQXFVSA-N 2 1 320.477 2.398 10 0 DEAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000076004620 401777146 /nfs/dbraw/zinc/77/71/46/401777146.db2.gz JIIBATPKPOPJLL-MSOLQXFVSA-N 2 1 320.477 2.398 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1C ZINC000119097552 401925769 /nfs/dbraw/zinc/92/57/69/401925769.db2.gz JLHPBPRCYZJLEY-VXLLPVPCSA-N 2 1 324.513 2.231 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000080563986 401890049 /nfs/dbraw/zinc/89/00/49/401890049.db2.gz QDYFAFVVWXSMSV-HNNXBMFYSA-N 2 1 321.469 2.145 10 0 DEAEMP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000080563986 401890050 /nfs/dbraw/zinc/89/00/50/401890050.db2.gz QDYFAFVVWXSMSV-HNNXBMFYSA-N 2 1 321.469 2.145 10 0 DEAEMP CN(C)C(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000134198987 401900108 /nfs/dbraw/zinc/90/01/08/401900108.db2.gz AOMJEPJPEYITAH-UHFFFAOYSA-N 2 1 318.465 2.024 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119674628 401962608 /nfs/dbraw/zinc/96/26/08/401962608.db2.gz VWIFHMUHEDWBTC-OFLPRAFFSA-N 2 1 324.513 2.280 10 0 DEAEMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000047972387 401991475 /nfs/dbraw/zinc/99/14/75/401991475.db2.gz ALBQYZSQYREKNL-UHFFFAOYSA-N 2 1 301.434 2.433 10 0 DEAEMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccccc2)CC1 ZINC000151332523 402030045 /nfs/dbraw/zinc/03/00/45/402030045.db2.gz LDBRQMLIVKPGMQ-IBGZPJMESA-N 2 1 320.477 2.370 10 0 DEAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106905639 402221252 /nfs/dbraw/zinc/22/12/52/402221252.db2.gz WIUKIYKPHOTIGD-FUHWJXTLSA-N 2 1 317.477 2.150 10 0 DEAEMP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)C1CC1 ZINC000107846994 402241824 /nfs/dbraw/zinc/24/18/24/402241824.db2.gz XEONCICDCHSYCI-DOTOQJQBSA-N 2 1 322.497 2.129 10 0 DEAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236655618 402371789 /nfs/dbraw/zinc/37/17/89/402371789.db2.gz CNGXBZDAGKWUDJ-RHSMWYFYSA-N 2 1 303.450 2.270 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1CC ZINC000245429924 402459787 /nfs/dbraw/zinc/45/97/87/402459787.db2.gz ZHIOVCBDXQVXGY-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245429924 402459790 /nfs/dbraw/zinc/45/97/90/402459790.db2.gz ZHIOVCBDXQVXGY-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245429924 402459793 /nfs/dbraw/zinc/45/97/93/402459793.db2.gz ZHIOVCBDXQVXGY-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP COC(=O)c1coc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178303759 402482759 /nfs/dbraw/zinc/48/27/59/402482759.db2.gz HVXVWGFULDWXAU-AWEZNQCLSA-N 2 1 303.362 2.236 10 0 DEAEMP COC(=O)c1coc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178303759 402482762 /nfs/dbraw/zinc/48/27/62/402482762.db2.gz HVXVWGFULDWXAU-AWEZNQCLSA-N 2 1 303.362 2.236 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCCCC1 ZINC000178313143 402484291 /nfs/dbraw/zinc/48/42/91/402484291.db2.gz UHAWTSXAGMHJCK-KRWDZBQOSA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCCCC1 ZINC000178313143 402484293 /nfs/dbraw/zinc/48/42/93/402484293.db2.gz UHAWTSXAGMHJCK-KRWDZBQOSA-N 2 1 318.465 2.447 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245908996 402496227 /nfs/dbraw/zinc/49/62/27/402496227.db2.gz IRVXNKGVUTUXIO-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171078025 402555209 /nfs/dbraw/zinc/55/52/09/402555209.db2.gz SGZAAHZXVSXEGE-INIZCTEOSA-N 2 1 324.513 2.234 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000246553929 402536595 /nfs/dbraw/zinc/53/65/95/402536595.db2.gz YSTNGUSBCVTXCM-YYIAUSFCSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553929 402536597 /nfs/dbraw/zinc/53/65/97/402536597.db2.gz YSTNGUSBCVTXCM-YYIAUSFCSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553929 402536601 /nfs/dbraw/zinc/53/66/01/402536601.db2.gz YSTNGUSBCVTXCM-YYIAUSFCSA-N 2 1 324.513 2.231 10 0 DEAEMP CO[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248406289 402589127 /nfs/dbraw/zinc/58/91/27/402589127.db2.gz BAHSGLPXPZUSRG-VQIMIIECSA-N 2 1 320.477 2.399 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248430549 402590390 /nfs/dbraw/zinc/59/03/90/402590390.db2.gz AXLMHIWOZUMYRE-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192027189 402706872 /nfs/dbraw/zinc/70/68/72/402706872.db2.gz LOMKUCDRMGTYJP-SJLPKXTDSA-N 2 1 306.450 2.150 10 0 DEAEMP COC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192027189 402706875 /nfs/dbraw/zinc/70/68/75/402706875.db2.gz LOMKUCDRMGTYJP-SJLPKXTDSA-N 2 1 306.450 2.150 10 0 DEAEMP C[C@H](CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182701004 402710256 /nfs/dbraw/zinc/71/02/56/402710256.db2.gz NDQOWBKCVSXMAH-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261805678 402717796 /nfs/dbraw/zinc/71/77/96/402717796.db2.gz HIATWQWKUNETJQ-IAGOWNOFSA-N 2 1 308.466 2.430 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1C ZINC000173278402 402690750 /nfs/dbraw/zinc/69/07/50/402690750.db2.gz UTYDXSMHXXUJFT-HIFRSBDPSA-N 2 1 324.513 2.420 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000174164073 402729507 /nfs/dbraw/zinc/72/95/07/402729507.db2.gz GTLVTKAHVFDSOB-GOEBONIOSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)CCC1 ZINC000175005709 402770847 /nfs/dbraw/zinc/77/08/47/402770847.db2.gz OYDDSPHILNQRGO-MRXNPFEDSA-N 2 1 324.513 2.234 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C2)[nH+]1 ZINC000175252805 402791575 /nfs/dbraw/zinc/79/15/75/402791575.db2.gz PUXDFTZAGUYNFQ-HOTGVXAUSA-N 2 1 318.465 2.379 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000194740234 402813562 /nfs/dbraw/zinc/81/35/62/402813562.db2.gz UJJVTDYUPSEONL-ROUUACIJSA-N 2 1 317.477 2.355 10 0 DEAEMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000184468899 402845579 /nfs/dbraw/zinc/84/55/79/402845579.db2.gz JGYSOZDBWGPERG-INIZCTEOSA-N 2 1 312.502 2.234 10 0 DEAEMP Cc1cc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cn2cc[nH+]c12 ZINC000333356356 403732352 /nfs/dbraw/zinc/73/23/52/403732352.db2.gz SBUMOEATNLLHKD-UHFFFAOYSA-N 2 1 313.405 2.250 10 0 DEAEMP CCNC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348062504 404026756 /nfs/dbraw/zinc/02/67/56/404026756.db2.gz KLNCWIJMSQVDAL-CCNLRDMRSA-N 2 1 315.461 2.296 10 0 DEAEMP CCNC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348062504 404026763 /nfs/dbraw/zinc/02/67/63/404026763.db2.gz KLNCWIJMSQVDAL-CCNLRDMRSA-N 2 1 315.461 2.296 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000360894942 404847405 /nfs/dbraw/zinc/84/74/05/404847405.db2.gz SMYZCRXBFLYKHZ-QGZVFWFLSA-N 2 1 321.440 2.248 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000360894942 404847408 /nfs/dbraw/zinc/84/74/08/404847408.db2.gz SMYZCRXBFLYKHZ-QGZVFWFLSA-N 2 1 321.440 2.248 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000360894942 404847410 /nfs/dbraw/zinc/84/74/10/404847410.db2.gz SMYZCRXBFLYKHZ-QGZVFWFLSA-N 2 1 321.440 2.248 10 0 DEAEMP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000396436393 405056892 /nfs/dbraw/zinc/05/68/92/405056892.db2.gz ZVLDZIIDMRRVAU-MRXNPFEDSA-N 2 1 323.440 2.492 10 0 DEAEMP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000396436393 405056898 /nfs/dbraw/zinc/05/68/98/405056898.db2.gz ZVLDZIIDMRRVAU-MRXNPFEDSA-N 2 1 323.440 2.492 10 0 DEAEMP C1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2(C1)CCOCC2 ZINC000423512401 405833289 /nfs/dbraw/zinc/83/32/89/405833289.db2.gz QETWUEAHTQNLES-DAWZGUTISA-N 2 1 321.509 2.142 10 0 DEAEMP Cc1cnc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000639264452 406009637 /nfs/dbraw/zinc/00/96/37/406009637.db2.gz DPGBHNBJUMCYOA-UHFFFAOYSA-N 2 1 315.417 2.100 10 0 DEAEMP c1[nH+]c([C@H]2CCCN(CC34CC(C3)C[NH2+]4)C2)n2c1CCCC2 ZINC000634994913 406390716 /nfs/dbraw/zinc/39/07/16/406390716.db2.gz POWSKKMEIXRQCH-CSLYMUCUSA-N 2 1 300.450 2.151 10 0 DEAEMP CC1CC(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638004704 406519331 /nfs/dbraw/zinc/51/93/31/406519331.db2.gz FMAPWKXOADRHMY-UHFFFAOYSA-N 2 1 315.461 2.285 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118545 406578884 /nfs/dbraw/zinc/57/88/84/406578884.db2.gz AKHSFJKQKXDBTQ-MAUKXSAKSA-N 2 1 315.461 2.013 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]CCC1CCOCC1 ZINC000638305358 406686285 /nfs/dbraw/zinc/68/62/85/406686285.db2.gz VRXPNVQXQRJAEA-UHFFFAOYSA-N 2 1 318.461 2.425 10 0 DEAEMP C[NH2+][C@H](Cc1cn2ccsc2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129212756 196029533 /nfs/dbraw/zinc/02/95/33/196029533.db2.gz WJUDJGJSAOUWEH-CHEQUFIKSA-N 2 1 304.463 2.399 10 0 DEAEMP C[NH+](C)CCn1ncc(Cl)c1C(=O)C1([NH+](C)C)CCCC1 ZINC000134133112 196364517 /nfs/dbraw/zinc/36/45/17/196364517.db2.gz MXAPIZCRHJHGNX-UHFFFAOYSA-N 2 1 312.845 2.155 10 0 DEAEMP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390777117 424917542 /nfs/dbraw/zinc/91/75/42/424917542.db2.gz OBPKHNKXGSURSA-WBVHZDCISA-N 2 1 303.450 2.142 10 0 DEAEMP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000390775607 424917759 /nfs/dbraw/zinc/91/77/59/424917759.db2.gz MRIDKQYILKLNCK-WBVHZDCISA-N 2 1 303.450 2.013 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398030056 424922245 /nfs/dbraw/zinc/92/22/45/424922245.db2.gz GEXGMBFRZXHPBN-HYVNUMGLSA-N 2 1 303.450 2.139 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309593277 424893295 /nfs/dbraw/zinc/89/32/95/424893295.db2.gz PJGAUINUXJEDEE-SJORKVTESA-N 2 1 303.450 2.141 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000174164087 267491167 /nfs/dbraw/zinc/49/11/67/267491167.db2.gz GTLVTKAHVFDSOB-ZBFHGGJFSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172560962 276166563 /nfs/dbraw/zinc/16/65/63/276166563.db2.gz KINUTIJARRCHCD-MRXNPFEDSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172560962 276166564 /nfs/dbraw/zinc/16/65/64/276166564.db2.gz KINUTIJARRCHCD-MRXNPFEDSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172560962 276166566 /nfs/dbraw/zinc/16/65/66/276166566.db2.gz KINUTIJARRCHCD-MRXNPFEDSA-N 2 1 322.497 2.131 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000157763758 277385460 /nfs/dbraw/zinc/38/54/60/277385460.db2.gz QGJWYDZGUWQIKZ-WBVHZDCISA-N 2 1 324.513 2.135 10 0 DEAEMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1C ZINC000261877669 294899294 /nfs/dbraw/zinc/89/92/94/294899294.db2.gz YCJHTTFUGZGHNB-QGZVFWFLSA-N 2 1 312.417 2.249 10 0 DEAEMP COC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000187821655 332988879 /nfs/dbraw/zinc/98/88/79/332988879.db2.gz JPESLJNNBCKLPO-ZDUSSCGKSA-N 2 1 309.454 2.376 10 0 DEAEMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247046285 519879191 /nfs/dbraw/zinc/87/91/91/519879191.db2.gz IFIREHKPJPTLSW-LSDHHAIUSA-N 2 1 306.454 2.242 10 0 DEAEMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247046285 519879192 /nfs/dbraw/zinc/87/91/92/519879192.db2.gz IFIREHKPJPTLSW-LSDHHAIUSA-N 2 1 306.454 2.242 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246266388 522590599 /nfs/dbraw/zinc/59/05/99/522590599.db2.gz LLPOIRPPLHJBNQ-RBSFLKMASA-N 2 1 304.438 2.127 10 0 DEAEMP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249098063 525001252 /nfs/dbraw/zinc/00/12/52/525001252.db2.gz UIIOSEYSKQWTLX-IZVVFDKHSA-N 2 1 315.461 2.282 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000191451167 535199577 /nfs/dbraw/zinc/19/95/77/535199577.db2.gz VKXFRMKGBBNPEH-ROUUACIJSA-N 2 1 309.498 2.046 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000176296224 535352167 /nfs/dbraw/zinc/35/21/67/535352167.db2.gz WIIXEGYPZANUCG-KRWDZBQOSA-N 2 1 324.513 2.234 10 0 DEAEMP COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261846981 536779982 /nfs/dbraw/zinc/77/99/82/536779982.db2.gz AYAWHGIKZUMYJD-KSZLIROESA-N 2 1 304.434 2.080 10 0 DEAEMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000229081511 646665809 /nfs/dbraw/zinc/66/58/09/646665809.db2.gz MYTOSQWBMFBSLM-DZGCQCFKSA-N 2 1 311.470 2.364 10 0 DEAEMP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399494 647473655 /nfs/dbraw/zinc/47/36/55/647473655.db2.gz KTPGSOYGSOWMBY-SJLPKXTDSA-N 2 1 320.477 2.405 10 0 DEAEMP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399494 647473657 /nfs/dbraw/zinc/47/36/57/647473657.db2.gz KTPGSOYGSOWMBY-SJLPKXTDSA-N 2 1 320.477 2.405 10 0 DEAEMP OCCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623370 792981303 /nfs/dbraw/zinc/98/13/03/792981303.db2.gz ZWKYYGZAPJUSIS-OTWHNJEPSA-N 2 1 318.461 2.028 10 0 DEAEMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc2c1OCCO2 ZINC000060816821 1078877980 /nfs/dbraw/zinc/87/79/80/1078877980.db2.gz ZPMUJBJQSJNRBE-UHFFFAOYSA-N 2 1 308.422 2.144 10 0 DEAEMP C[C@]1(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000702096123 1086403233 /nfs/dbraw/zinc/40/32/33/1086403233.db2.gz OCQJHIJYZJKNOS-SLFFLAALSA-N 2 1 313.489 2.440 10 0 DEAEMP CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000711285769 1087042958 /nfs/dbraw/zinc/04/29/58/1087042958.db2.gz XMSHGROYCKEGQV-IAGOWNOFSA-N 2 1 315.461 2.013 10 0 DEAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711440668 1087112718 /nfs/dbraw/zinc/11/27/18/1087112718.db2.gz UTORJFFKSFANJJ-KFWWJZLASA-N 2 1 311.470 2.221 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000079192864 185161348 /nfs/dbraw/zinc/16/13/48/185161348.db2.gz JDYJITTWPUNIRP-CABCVRRESA-N 2 1 324.469 2.158 10 0 DEAEMP [NH3+]Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088417763 185249275 /nfs/dbraw/zinc/24/92/75/185249275.db2.gz PIYDQUASZNARBM-UONOGXRCSA-N 2 1 302.340 2.453 10 0 DEAEMP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000171506168 186169689 /nfs/dbraw/zinc/16/96/89/186169689.db2.gz XGTYTVZGVKHMMM-SFHVURJKSA-N 2 1 315.461 2.376 10 0 DEAEMP Cc1ccc([C@@H](O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000174782997 198384794 /nfs/dbraw/zinc/38/47/94/198384794.db2.gz FYNKWPTVMJZTOS-APWZRJJASA-N 2 1 320.477 2.053 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247284920 283059518 /nfs/dbraw/zinc/05/95/18/283059518.db2.gz KMWDQEHRGAQEDT-IXDOHACOSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000247284920 283059523 /nfs/dbraw/zinc/05/95/23/283059523.db2.gz KMWDQEHRGAQEDT-IXDOHACOSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000247284920 283059526 /nfs/dbraw/zinc/05/95/26/283059526.db2.gz KMWDQEHRGAQEDT-IXDOHACOSA-N 2 1 324.513 2.088 10 0 DEAEMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169782455 355982773 /nfs/dbraw/zinc/98/27/73/355982773.db2.gz LLGALHSVMASNGU-KRWDZBQOSA-N 2 1 315.461 2.140 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000171239810 356000052 /nfs/dbraw/zinc/00/00/52/356000052.db2.gz MQEHNKXCPORFMP-MRXNPFEDSA-N 2 1 312.502 2.282 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182716022 356141401 /nfs/dbraw/zinc/14/14/01/356141401.db2.gz GMBYEJIPXNDABN-SJORKVTESA-N 2 1 324.513 2.377 10 0 DEAEMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000579825275 357036560 /nfs/dbraw/zinc/03/65/60/357036560.db2.gz UGWJFGXFWRMWFW-SOVGHPHASA-N 2 1 324.428 2.113 10 0 DEAEMP CC[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc1CC ZINC000092004868 193139131 /nfs/dbraw/zinc/13/91/31/193139131.db2.gz BMKLVQOYYYASNF-OLZOCXBDSA-N 2 1 308.495 2.488 10 0 DEAEMP CCC[NH2+][C@]1(CO)CC[C@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857095 193319586 /nfs/dbraw/zinc/31/95/86/193319586.db2.gz ZYICVWIUZJKNEX-DLBZAZTESA-N 2 1 300.487 2.407 10 0 DEAEMP CCC[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638881 193387696 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10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000246574396 145106805 /nfs/dbraw/zinc/10/68/05/145106805.db2.gz ZMLZDGBEWVUJJX-ZACQAIPSSA-N 2 1 322.497 2.127 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247456548 145137542 /nfs/dbraw/zinc/13/75/42/145137542.db2.gz TZGOQEDSCGSBIJ-NVXWUHKLSA-N 2 1 324.513 2.279 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000247473657 145138308 /nfs/dbraw/zinc/13/83/08/145138308.db2.gz RWWUXDLBINNTJX-YOEHRIQHSA-N 2 1 316.449 2.449 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248654634 145163342 /nfs/dbraw/zinc/16/33/42/145163342.db2.gz PPNNXKQBQLRZQZ-NXHRZFHOSA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654634 145163343 /nfs/dbraw/zinc/16/33/43/145163343.db2.gz PPNNXKQBQLRZQZ-NXHRZFHOSA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248654634 145163344 /nfs/dbraw/zinc/16/33/44/145163344.db2.gz PPNNXKQBQLRZQZ-NXHRZFHOSA-N 2 1 310.482 2.113 10 0 DEAEMP COc1ccc(CN(Cc2noc(C[NH3+])n2)[C@@H](C)C2CC2)cc1 ZINC000261619918 145210760 /nfs/dbraw/zinc/21/07/60/145210760.db2.gz CUTPFCUDZYNFMT-LBPRGKRZSA-N 2 1 316.405 2.338 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261683390 145216193 /nfs/dbraw/zinc/21/61/93/145216193.db2.gz HCLXSKGZODZWPQ-SOUVJXGZSA-N 2 1 304.438 2.127 10 0 DEAEMP C[C@H]([NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000261758100 145223244 /nfs/dbraw/zinc/22/32/44/145223244.db2.gz HWCFOCTZXJHOFW-LNRIEFBSSA-N 2 1 301.434 2.036 10 0 DEAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834951 145232059 /nfs/dbraw/zinc/23/20/59/145232059.db2.gz ULJYLKLWMPPUOO-VDHUWJSZSA-N 2 1 315.461 2.313 10 0 DEAEMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000262237696 145270723 /nfs/dbraw/zinc/27/07/23/145270723.db2.gz NISICKSXOBMZDV-UHFFFAOYSA-N 2 1 303.450 2.144 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000127627366 401742645 /nfs/dbraw/zinc/74/26/45/401742645.db2.gz WBYILYKLCREMQC-HOTGVXAUSA-N 2 1 312.502 2.280 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128322688 401771879 /nfs/dbraw/zinc/77/18/79/401771879.db2.gz VANRCMDQGHKDBD-SJORKVTESA-N 2 1 324.513 2.090 10 0 DEAEMP COCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121102240 402015298 /nfs/dbraw/zinc/01/52/98/402015298.db2.gz WWGSGBHPYVJRFZ-INIZCTEOSA-N 2 1 320.477 2.358 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497295 402043126 /nfs/dbraw/zinc/04/31/26/402043126.db2.gz GEQZDNUDEHNVQP-ZDUSSCGKSA-N 2 1 310.486 2.079 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NCC2CCCCC2)CCN1C ZINC000123131148 402111831 /nfs/dbraw/zinc/11/18/31/402111831.db2.gz VJKLPTMTDWCODA-NVXWUHKLSA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NCC2CCCCC2)CC[N@@H+]1C ZINC000123131148 402111834 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405056433 /nfs/dbraw/zinc/05/64/33/405056433.db2.gz MGAZRJOZORBWJM-SJLPKXTDSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396322531 405056439 /nfs/dbraw/zinc/05/64/39/405056439.db2.gz MGAZRJOZORBWJM-SJLPKXTDSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400788659 405063012 /nfs/dbraw/zinc/06/30/12/405063012.db2.gz RIMICKDSYNKHRL-LFAQGZIKSA-N 3 1 313.489 2.485 10 0 DEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400788659 405063017 /nfs/dbraw/zinc/06/30/17/405063017.db2.gz RIMICKDSYNKHRL-LFAQGZIKSA-N 2 1 313.489 2.485 10 0 DEAEMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400788659 405063024 /nfs/dbraw/zinc/06/30/24/405063024.db2.gz RIMICKDSYNKHRL-LFAQGZIKSA-N 2 1 313.489 2.485 10 0 DEAEMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638448457 405475240 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CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000638101730 406570587 /nfs/dbraw/zinc/57/05/87/406570587.db2.gz RFHXXWUAXCCTFO-QGZVFWFLSA-N 2 1 313.445 2.157 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000246505791 287221451 /nfs/dbraw/zinc/22/14/51/287221451.db2.gz WUUHZXXCNAUQHC-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])c1cccs1)c1ccccc1 ZINC000130565239 196091611 /nfs/dbraw/zinc/09/16/11/196091611.db2.gz UJEZUSXTBUCONO-HIFRSBDPSA-N 2 1 303.431 2.167 10 0 DEAEMP CCOCC[N@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@H]1CC ZINC000153805610 424859945 /nfs/dbraw/zinc/85/99/45/424859945.db2.gz HGOPHEMOSAJZFC-GOSISDBHSA-N 2 1 311.514 2.151 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398030052 424922658 /nfs/dbraw/zinc/92/26/58/424922658.db2.gz GEXGMBFRZXHPBN-DJIMGWMZSA-N 2 1 303.450 2.139 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398030059 424922878 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10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116567633 297093317 /nfs/dbraw/zinc/09/33/17/297093317.db2.gz VKDIEMZWQDBXAL-OAGGEKHMSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C[NH+]1CCCC1 ZINC000192485017 341844661 /nfs/dbraw/zinc/84/46/61/341844661.db2.gz IVJOSNLIPBDSOF-ZDUSSCGKSA-N 2 1 319.474 2.422 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000105862044 525749230 /nfs/dbraw/zinc/74/92/30/525749230.db2.gz NSKLCBBOWLFIPW-HNNXBMFYSA-N 2 1 324.440 2.229 10 0 DEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000261969785 535214577 /nfs/dbraw/zinc/21/45/77/535214577.db2.gz PWWBMCWBSKZWEL-SJORKVTESA-N 2 1 309.498 2.474 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000249329713 535645224 /nfs/dbraw/zinc/64/52/24/535645224.db2.gz WBYILYKLCREMQC-CVEARBPZSA-N 2 1 312.502 2.280 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261692735 536434120 /nfs/dbraw/zinc/43/41/20/536434120.db2.gz BBWCKLIVTRPCTP-OALUTQOASA-N 2 1 301.478 2.440 10 0 DEAEMP COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261847000 536779899 /nfs/dbraw/zinc/77/98/99/536779899.db2.gz AYAWHGIKZUMYJD-RCCFBDPRSA-N 2 1 304.434 2.080 10 0 DEAEMP O=C1OCCN1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000731103791 647447103 /nfs/dbraw/zinc/44/71/03/647447103.db2.gz IJUCVMLVCNBOMN-MRXNPFEDSA-N 2 1 309.454 2.027 10 0 DEAEMP O=C1OCCN1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000731103791 647447106 /nfs/dbraw/zinc/44/71/06/647447106.db2.gz IJUCVMLVCNBOMN-MRXNPFEDSA-N 2 1 309.454 2.027 10 0 DEAEMP [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000379667363 685393111 /nfs/dbraw/zinc/39/31/11/685393111.db2.gz ZJIPUNVGYQBXCB-MSOLQXFVSA-N 2 1 315.461 2.285 10 0 DEAEMP COC[C@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620181 792978347 /nfs/dbraw/zinc/97/83/47/792978347.db2.gz LNHVSFNVXGAUHL-ZSYWTGECSA-N 2 1 318.461 2.027 10 0 DEAEMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730989 793003074 /nfs/dbraw/zinc/00/30/74/793003074.db2.gz ISZBEAOAQIDOOZ-UBDQQSCGSA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730989 793003080 /nfs/dbraw/zinc/00/30/80/793003080.db2.gz ISZBEAOAQIDOOZ-UBDQQSCGSA-N 2 1 315.461 2.106 10 0 DEAEMP CC1(C)CO[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000708331586 1086678191 /nfs/dbraw/zinc/67/81/91/1086678191.db2.gz QJCHSQCUPNWXTO-IEBWSBKVSA-N 2 1 318.461 2.028 10 0 DEAEMP CC1(C)CO[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000708331586 1086678192 /nfs/dbraw/zinc/67/81/92/1086678192.db2.gz QJCHSQCUPNWXTO-IEBWSBKVSA-N 2 1 318.461 2.028 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1COc1ncc(Br)cc1C[NH3+] ZINC000088166022 185241094 /nfs/dbraw/zinc/24/10/94/185241094.db2.gz DFJUAEZNLSWTRJ-GFCCVEGCSA-N 2 1 314.227 2.166 10 0 DEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435287 185250459 /nfs/dbraw/zinc/25/04/59/185250459.db2.gz HTULHEIHQIXLOT-WCQYABFASA-N 2 1 310.360 2.321 10 0 DEAEMP CCOC(=O)[C@](C)([NH3+])CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435287 185250460 /nfs/dbraw/zinc/25/04/60/185250460.db2.gz HTULHEIHQIXLOT-WCQYABFASA-N 2 1 310.360 2.321 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCCCC1 ZINC000178313164 282217125 /nfs/dbraw/zinc/21/71/25/282217125.db2.gz UHAWTSXAGMHJCK-QGZVFWFLSA-N 2 1 318.465 2.447 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCCCC1 ZINC000178313164 282217126 /nfs/dbraw/zinc/21/71/26/282217126.db2.gz UHAWTSXAGMHJCK-QGZVFWFLSA-N 2 1 318.465 2.447 10 0 DEAEMP C[N@@H+](Cc1cccc(Br)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606696 185306310 /nfs/dbraw/zinc/30/63/10/185306310.db2.gz DVEKDOFQFMFVNF-KBPBESRZSA-N 2 1 313.239 2.245 10 0 DEAEMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000272676299 210081177 /nfs/dbraw/zinc/08/11/77/210081177.db2.gz LTJKRSCRFXVORD-BPQIPLTHSA-N 2 1 306.450 2.148 10 0 DEAEMP [NH3+]Cc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071699995 191009322 /nfs/dbraw/zinc/00/93/22/191009322.db2.gz JMTGQFPASOBTDU-UHFFFAOYSA-N 2 1 309.413 2.103 10 0 DEAEMP C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@H]1C[N@@H+](C)CCN1C ZINC000149583982 186050703 /nfs/dbraw/zinc/05/07/03/186050703.db2.gz MJRSPINNRPJKBO-GJZGRUSLSA-N 2 1 313.848 2.246 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000164344428 186156623 /nfs/dbraw/zinc/15/66/23/186156623.db2.gz UVTJQCGMZZNADD-CQSZACIVSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000164344428 186156624 /nfs/dbraw/zinc/15/66/24/186156624.db2.gz UVTJQCGMZZNADD-CQSZACIVSA-N 2 1 311.832 2.477 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684983 539877997 /nfs/dbraw/zinc/87/79/97/539877997.db2.gz BJLSUBUAPPPMGB-CGTJXYLNSA-N 2 1 317.477 2.387 10 0 DEAEMP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404312072 540144644 /nfs/dbraw/zinc/14/46/44/540144644.db2.gz LXFCGJSHCVOSFX-BZUAXINKSA-N 2 1 317.477 2.481 10 0 DEAEMP C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404366945 540146432 /nfs/dbraw/zinc/14/64/32/540146432.db2.gz PRWNVOLUPMYGRH-OWCLPIDISA-N 2 1 315.461 2.378 10 0 DEAEMP C[N@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000169782033 355982716 /nfs/dbraw/zinc/98/27/16/355982716.db2.gz YLOKOCXQOHZESN-HNNXBMFYSA-N 2 1 308.853 2.476 10 0 DEAEMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275447851 212339190 /nfs/dbraw/zinc/33/91/90/212339190.db2.gz GGXGZZUSMWLWNT-NSHDSACASA-N 2 1 307.829 2.185 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccncc3Br)C[C@@H]21 ZINC000629518866 367231910 /nfs/dbraw/zinc/23/19/10/367231910.db2.gz MKVAHYCLWRSDJT-VHRBIJSZSA-N 2 1 310.239 2.403 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccncc3Br)C[C@@H]21 ZINC000629518866 367231912 /nfs/dbraw/zinc/23/19/12/367231912.db2.gz MKVAHYCLWRSDJT-VHRBIJSZSA-N 2 1 310.239 2.403 10 0 DEAEMP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1Br ZINC000629568280 367254930 /nfs/dbraw/zinc/25/49/30/367254930.db2.gz SMNHRCSCQNCOPE-UHFFFAOYSA-N 2 1 301.228 2.117 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1Br ZINC000629568280 367254932 /nfs/dbraw/zinc/25/49/32/367254932.db2.gz SMNHRCSCQNCOPE-UHFFFAOYSA-N 2 1 301.228 2.117 10 0 DEAEMP CC[N@@H+](CC[C@@H]1CCC[C@@]1(CO)[NH2+]C(C)C)[C@@H](C)COC ZINC000093617274 193275074 /nfs/dbraw/zinc/27/50/74/193275074.db2.gz LYKGKFNYOMLUOC-ULQDDVLXSA-N 2 1 300.487 2.263 10 0 DEAEMP CN1CC[N@H+](C)C[C@H]1c1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000093896669 193325206 /nfs/dbraw/zinc/32/52/06/193325206.db2.gz LYXMACGIHZUGGE-HNNXBMFYSA-N 2 1 302.447 2.187 10 0 DEAEMP CN1CC[N@@H+](C)C[C@H]1c1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000093896669 193325208 /nfs/dbraw/zinc/32/52/08/193325208.db2.gz LYXMACGIHZUGGE-HNNXBMFYSA-N 2 1 302.447 2.187 10 0 DEAEMP CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCCC2)C1 ZINC000094634616 193386251 /nfs/dbraw/zinc/38/62/51/193386251.db2.gz WPUZWSJQDOBVKI-JKSUJKDBSA-N 2 1 316.511 2.326 10 0 DEAEMP CCC[NH2+][C@H]1[C@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428443 193368538 /nfs/dbraw/zinc/36/85/38/193368538.db2.gz KDRUVYKKDIOFLY-GJZGRUSLSA-N 2 1 300.487 2.263 10 0 DEAEMP CC[NH2+][C@H]1[C@@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429312 193368848 /nfs/dbraw/zinc/36/88/48/193368848.db2.gz GZKJEUZPRHVULS-CABCVRRESA-N 2 1 300.487 2.261 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000104773247 194037369 /nfs/dbraw/zinc/03/73/69/194037369.db2.gz RJIADYCLNIBHPZ-OAHLLOKOSA-N 2 1 310.486 2.034 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104773247 194037371 /nfs/dbraw/zinc/03/73/71/194037371.db2.gz RJIADYCLNIBHPZ-OAHLLOKOSA-N 2 1 310.486 2.034 10 0 DEAEMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104773247 194037373 /nfs/dbraw/zinc/03/73/73/194037373.db2.gz RJIADYCLNIBHPZ-OAHLLOKOSA-N 2 1 310.486 2.034 10 0 DEAEMP CC1CC[NH+](CCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106431821 194213277 /nfs/dbraw/zinc/21/32/77/194213277.db2.gz JDNZULOLQRWZPV-GOSISDBHSA-N 2 1 317.477 2.007 10 0 DEAEMP CCOCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000157476953 197190242 /nfs/dbraw/zinc/19/02/42/197190242.db2.gz PMVBPTFDXDGPFT-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](C)CCC[C@](C)([NH2+]C(C)C)C(=O)OCC ZINC000157476953 197190244 /nfs/dbraw/zinc/19/02/44/197190244.db2.gz PMVBPTFDXDGPFT-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CCCOC)[NH2+]C(C)C ZINC000062034761 184202847 /nfs/dbraw/zinc/20/28/47/184202847.db2.gz CINOGTLLZGDRFL-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CCCOC)[NH2+]C(C)C ZINC000062034761 184202848 /nfs/dbraw/zinc/20/28/48/184202848.db2.gz CINOGTLLZGDRFL-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1cccc(Br)c1 ZINC000062739658 184251895 /nfs/dbraw/zinc/25/18/95/184251895.db2.gz XEPYMGIPPKSPNQ-ZDUSSCGKSA-N 2 1 301.228 2.245 10 0 DEAEMP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1cccc(Br)c1 ZINC000062739658 184251898 /nfs/dbraw/zinc/25/18/98/184251898.db2.gz XEPYMGIPPKSPNQ-ZDUSSCGKSA-N 2 1 301.228 2.245 10 0 DEAEMP CC[NH+]1CCN(c2ccccc2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000063501791 184283720 /nfs/dbraw/zinc/28/37/20/184283720.db2.gz BZBKDHYZNAZPTJ-UHFFFAOYSA-N 2 1 318.465 2.107 10 0 DEAEMP CCn1nc(C)c(CN2CC[C@H](CNc3cccc(C)n3)C2)n1 ZINC000294834371 224252765 /nfs/dbraw/zinc/25/27/65/224252765.db2.gz NQSZVMBTLCLGMO-OAHLLOKOSA-N 2 1 314.437 2.244 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358183772 133126908 /nfs/dbraw/zinc/12/69/08/133126908.db2.gz FOCMEBXYZYWJCH-UHFFFAOYSA-N 2 1 322.497 2.202 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000358200259 133127730 /nfs/dbraw/zinc/12/77/30/133127730.db2.gz ZODFDFASRHNLQV-UHFFFAOYSA-N 2 1 322.497 2.202 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192007056 145069012 /nfs/dbraw/zinc/06/90/12/145069012.db2.gz 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COC(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330172 404836757 /nfs/dbraw/zinc/83/67/57/404836757.db2.gz LPTWOIWIJXFRFH-SJORKVTESA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330172 404836761 /nfs/dbraw/zinc/83/67/61/404836761.db2.gz LPTWOIWIJXFRFH-SJORKVTESA-N 2 1 304.434 2.059 10 0 DEAEMP COC(C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000377330172 404836764 /nfs/dbraw/zinc/83/67/64/404836764.db2.gz LPTWOIWIJXFRFH-SJORKVTESA-N 2 1 304.434 2.059 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000396392984 405055994 /nfs/dbraw/zinc/05/59/94/405055994.db2.gz ROWLFMMGESXDGU-SOLBZPMBSA-N 2 1 315.461 2.107 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000396392984 405056000 /nfs/dbraw/zinc/05/60/00/405056000.db2.gz ROWLFMMGESXDGU-SOLBZPMBSA-N 2 1 315.461 2.107 10 0 DEAEMP C/C=C\CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638683007 405615292 /nfs/dbraw/zinc/61/52/92/405615292.db2.gz COESCXGDLNHAPG-IHWYPQMZSA-N 2 1 301.434 2.062 10 0 DEAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000531501553 405968160 /nfs/dbraw/zinc/96/81/60/405968160.db2.gz YBIOKVYAMJCPKU-AWEZNQCLSA-N 2 1 319.453 2.029 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000561310753 405919703 /nfs/dbraw/zinc/91/97/03/405919703.db2.gz OEDVMMMZTLJKAU-KRWDZBQOSA-N 2 1 321.440 2.200 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000561310753 405919706 /nfs/dbraw/zinc/91/97/06/405919706.db2.gz OEDVMMMZTLJKAU-KRWDZBQOSA-N 2 1 321.440 2.200 10 0 DEAEMP O[C@@]1(C[NH2+]CC[C@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634722372 406245725 /nfs/dbraw/zinc/24/57/25/406245725.db2.gz OCAYZGMZXQFPNW-JKSUJKDBSA-N 2 1 310.388 2.258 10 0 DEAEMP O[C@@]1(C[NH2+]CC[C@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722372 406245727 /nfs/dbraw/zinc/24/57/27/406245727.db2.gz OCAYZGMZXQFPNW-JKSUJKDBSA-N 2 1 310.388 2.258 10 0 DEAEMP c1ccc(C[N@@H+](CCOCC2CC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261660462 225253797 /nfs/dbraw/zinc/25/37/97/225253797.db2.gz NRMGPZBOYDVYQQ-SFHVURJKSA-N 2 1 303.450 2.452 10 0 DEAEMP c1ccc(C[N@H+](CCOCC2CC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261660462 225253800 /nfs/dbraw/zinc/25/38/00/225253800.db2.gz NRMGPZBOYDVYQQ-SFHVURJKSA-N 2 1 303.450 2.452 10 0 DEAEMP C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000381042469 424909169 /nfs/dbraw/zinc/90/91/69/424909169.db2.gz DZIOFGZBLOIJDI-PKOBYXMFSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398039253 424922103 /nfs/dbraw/zinc/92/21/03/424922103.db2.gz KIKGCULHPNHHDW-NXHRZFHOSA-N 2 1 317.477 2.387 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)CC[N@@H+]1C ZINC000135123534 278014060 /nfs/dbraw/zinc/01/40/60/278014060.db2.gz RUZAHURDSDOXES-NVXWUHKLSA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)CC[N@H+]1C ZINC000135123534 278014062 /nfs/dbraw/zinc/01/40/62/278014062.db2.gz RUZAHURDSDOXES-NVXWUHKLSA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)CC[NH+]1C ZINC000135123534 278014064 /nfs/dbraw/zinc/01/40/64/278014064.db2.gz RUZAHURDSDOXES-NVXWUHKLSA-N 2 1 303.450 2.454 10 0 DEAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)CC[NH+]1C ZINC000135123534 278014065 /nfs/dbraw/zinc/01/40/65/278014065.db2.gz RUZAHURDSDOXES-NVXWUHKLSA-N 2 1 303.450 2.454 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000176264582 279298363 /nfs/dbraw/zinc/29/83/63/279298363.db2.gz RTBYDEDWFBIQTL-YESZJQIVSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000176264582 279298364 /nfs/dbraw/zinc/29/83/64/279298364.db2.gz RTBYDEDWFBIQTL-YESZJQIVSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000176264582 279298365 /nfs/dbraw/zinc/29/83/65/279298365.db2.gz RTBYDEDWFBIQTL-YESZJQIVSA-N 2 1 324.513 2.233 10 0 DEAEMP c1ccc(OCCOCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000573445042 326058138 /nfs/dbraw/zinc/05/81/38/326058138.db2.gz NCWHIWBTOPHPSY-SFHVURJKSA-N 2 1 304.434 2.158 10 0 DEAEMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC(C)(C)CC ZINC000191516986 528861207 /nfs/dbraw/zinc/86/12/07/528861207.db2.gz ACZAPUDOZNEDKW-UHFFFAOYSA-N 2 1 308.470 2.462 10 0 DEAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC(C)(C)CC ZINC000191516986 528861214 /nfs/dbraw/zinc/86/12/14/528861214.db2.gz ACZAPUDOZNEDKW-UHFFFAOYSA-N 2 1 308.470 2.462 10 0 DEAEMP CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261846872 535512580 /nfs/dbraw/zinc/51/25/80/535512580.db2.gz AWXOGMZQMRMVCR-ZACQAIPSSA-N 2 1 304.434 2.332 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)n[nH]2)[C@@H](C)C1 ZINC000358300016 535527428 /nfs/dbraw/zinc/52/74/28/535527428.db2.gz NFXJECUFCKCNFP-DAYGRLMNSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC000358300016 535527429 /nfs/dbraw/zinc/52/74/29/535527429.db2.gz NFXJECUFCKCNFP-DAYGRLMNSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC000358300016 535527430 /nfs/dbraw/zinc/52/74/30/535527430.db2.gz NFXJECUFCKCNFP-DAYGRLMNSA-N 2 1 322.497 2.376 10 0 DEAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000247233941 535585301 /nfs/dbraw/zinc/58/53/01/535585301.db2.gz DHKNAZDJCQFQSD-RBUKOAKNSA-N 2 1 320.477 2.228 10 0 DEAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097175 635539495 /nfs/dbraw/zinc/53/94/95/635539495.db2.gz DDOKMLFWCSBJKV-BRSBDYLESA-N 2 1 321.440 2.180 10 0 DEAEMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098736 635545071 /nfs/dbraw/zinc/54/50/71/635545071.db2.gz LYLSHRRPEYZAMD-XABWRGDLSA-N 2 1 306.450 2.280 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000721858835 780394918 /nfs/dbraw/zinc/39/49/18/780394918.db2.gz GALRVKZAIBQVEX-CBBWQLFWSA-N 2 1 311.470 2.314 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000721858835 780394926 /nfs/dbraw/zinc/39/49/26/780394926.db2.gz GALRVKZAIBQVEX-CBBWQLFWSA-N 2 1 311.470 2.314 10 0 DEAEMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680052 792983724 /nfs/dbraw/zinc/98/37/24/792983724.db2.gz PYORPDLQIJGXHL-VBGUPWIQSA-N 2 1 320.502 2.396 10 0 DEAEMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716735029 793005608 /nfs/dbraw/zinc/00/56/08/793005608.db2.gz YBVGYYIHXHQHJV-BZSNNMDCSA-N 2 1 315.461 2.154 10 0 DEAEMP CC(C)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716735029 793005619 /nfs/dbraw/zinc/00/56/19/793005619.db2.gz YBVGYYIHXHQHJV-BZSNNMDCSA-N 2 1 315.461 2.154 10 0 DEAEMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1=[NH+]CCCCN1)C1CC1 ZINC000717998291 1081857522 /nfs/dbraw/zinc/85/75/22/1081857522.db2.gz HMNFTTIVVKZEEH-KRWDZBQOSA-N 2 1 300.450 2.226 10 0 DEAEMP [NH3+]C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@H]1C(F)(F)F ZINC000720843575 1086289779 /nfs/dbraw/zinc/28/97/79/1086289779.db2.gz IPKRCLOVFDJUBC-BDAKNGLRSA-N 2 1 308.266 2.024 10 0 DEAEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000702050437 1086401630 /nfs/dbraw/zinc/40/16/30/1086401630.db2.gz XXQDEUQNPIXXBK-YSIASYRMSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]12C[NH+](CC[C@@H]3CC[NH2+]C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702050437 1086401636 /nfs/dbraw/zinc/40/16/36/1086401636.db2.gz XXQDEUQNPIXXBK-YSIASYRMSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]12C[NH+](CC[C@@H]3CC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702050437 1086401654 /nfs/dbraw/zinc/40/16/54/1086401654.db2.gz XXQDEUQNPIXXBK-YSIASYRMSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000702050437 1086401658 /nfs/dbraw/zinc/40/16/58/1086401658.db2.gz XXQDEUQNPIXXBK-YSIASYRMSA-N 2 1 313.489 2.440 10 0 DEAEMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000702050437 1086401662 /nfs/dbraw/zinc/40/16/62/1086401662.db2.gz XXQDEUQNPIXXBK-YSIASYRMSA-N 2 1 313.489 2.440 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000247187224 282214655 /nfs/dbraw/zinc/21/46/55/282214655.db2.gz WGLOVZNKDYYPRO-HYVNUMGLSA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000247187224 282214656 /nfs/dbraw/zinc/21/46/56/282214656.db2.gz WGLOVZNKDYYPRO-HYVNUMGLSA-N 2 1 318.465 2.351 10 0 DEAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000195128717 282368972 /nfs/dbraw/zinc/36/89/72/282368972.db2.gz SVVHUMOWWAKMEJ-ZACQAIPSSA-N 2 1 324.513 2.138 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237921525 539751295 /nfs/dbraw/zinc/75/12/95/539751295.db2.gz FHQLZJSURXNQOM-OKZBNKHCSA-N 2 1 315.461 2.285 10 0 DEAEMP CC[NH2+][C@@H]1COC[C@H]1C[NH2+]Cc1sccc1Br ZINC000148336559 186044346 /nfs/dbraw/zinc/04/43/46/186044346.db2.gz YHGXEZNZPBUEIB-MWLCHTKSSA-N 2 1 319.268 2.225 10 0 DEAEMP CC[NH2+][C@H](Cc1cccc(Cl)c1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149665563 186051816 /nfs/dbraw/zinc/05/18/16/186051816.db2.gz INYTWMWVZRNVNV-IAGOWNOFSA-N 2 1 309.885 2.497 10 0 DEAEMP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404312541 540144607 /nfs/dbraw/zinc/14/46/07/540144607.db2.gz MCWKTBQRNVSWPL-ZJIFWQFVSA-N 2 1 303.450 2.104 10 0 DEAEMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000182695605 356140738 /nfs/dbraw/zinc/14/07/38/356140738.db2.gz NCVZOYDRTZXAPJ-BRWVUGGUSA-N 2 1 324.513 2.375 10 0 DEAEMP C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661818 356209320 /nfs/dbraw/zinc/20/93/20/356209320.db2.gz JFKNBGKIDGOUHU-ZOBUZTSGSA-N 2 1 312.498 2.405 10 0 DEAEMP CC/C=C\CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000588475926 540258140 /nfs/dbraw/zinc/25/81/40/540258140.db2.gz DKKXSNZCFMFZBB-OOFWQKGWSA-N 2 1 309.498 2.070 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1 ZINC000180490601 199166427 /nfs/dbraw/zinc/16/64/27/199166427.db2.gz RJQNBVXBHLPOOF-KSSFIOAISA-N 2 1 314.433 2.162 10 0 DEAEMP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188507 365325769 /nfs/dbraw/zinc/32/57/69/365325769.db2.gz RXXORPHGUVXCFS-OALUTQOASA-N 2 1 321.509 2.236 10 0 DEAEMP C[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596100 193270664 /nfs/dbraw/zinc/27/06/64/193270664.db2.gz AXJVCBISPJOTNW-WCQYABFASA-N 2 1 310.360 2.192 10 0 DEAEMP C[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596100 193270666 /nfs/dbraw/zinc/27/06/66/193270666.db2.gz AXJVCBISPJOTNW-WCQYABFASA-N 2 1 310.360 2.192 10 0 DEAEMP CCC[NH2+][C@@H]1[C@@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430075 193368490 /nfs/dbraw/zinc/36/84/90/193368490.db2.gz JXNUJKVLOXHSGV-ZIAGYGMSSA-N 2 1 300.487 2.261 10 0 DEAEMP C[NH2+][C@H]1[C@@H](C[N@@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428310 193369139 /nfs/dbraw/zinc/36/91/39/193369139.db2.gz GIMXRTRFTNLNGU-CABCVRRESA-N 2 1 300.487 2.382 10 0 DEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355047 245092483 /nfs/dbraw/zinc/09/24/83/245092483.db2.gz HFKDGSRGIOYKCO-DZJNRPSUSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000453355047 245092494 /nfs/dbraw/zinc/09/24/94/245092494.db2.gz HFKDGSRGIOYKCO-DZJNRPSUSA-N 2 1 315.461 2.141 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105217114 194086999 /nfs/dbraw/zinc/08/69/99/194086999.db2.gz SRVZRGYHDRJQTR-QGZVFWFLSA-N 2 1 322.497 2.131 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000105852812 194146315 /nfs/dbraw/zinc/14/63/15/194146315.db2.gz GVAUMRZHBWMOMV-CVEARBPZSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000105852812 194146317 /nfs/dbraw/zinc/14/63/17/194146317.db2.gz GVAUMRZHBWMOMV-CVEARBPZSA-N 2 1 318.465 2.483 10 0 DEAEMP CC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106386580 194205669 /nfs/dbraw/zinc/20/56/69/194205669.db2.gz BGWHMOJPYJAPDJ-MOPGFXCFSA-N 2 1 320.477 2.135 10 0 DEAEMP CCC[N@H+]1CCc2nc([C@H](CC)N3CC[NH2+]CC3)sc2C1 ZINC000109472412 194266631 /nfs/dbraw/zinc/26/66/31/194266631.db2.gz SAHADEJZSVDELV-AWEZNQCLSA-N 2 1 308.495 2.268 10 0 DEAEMP C[N@H+]1CCN([C@@H](C[NH3+])c2cc(F)c(F)c(F)c2)CC1(C)C ZINC000110711773 194352741 /nfs/dbraw/zinc/35/27/41/194352741.db2.gz BZXGXCNAKKMQLC-ZDUSSCGKSA-N 2 1 301.356 2.130 10 0 DEAEMP CC(C)C[NH2+]C[C@]1(C[N@H+](C)CCOC(C)C)CCCOC1 ZINC000157587000 197199529 /nfs/dbraw/zinc/19/95/29/197199529.db2.gz YAWURIGEEUPWGF-KRWDZBQOSA-N 2 1 300.487 2.386 10 0 DEAEMP CC(C)C[NH2+]C[C@]1(C[N@@H+](C)CCOC(C)C)CCCOC1 ZINC000157587000 197199531 /nfs/dbraw/zinc/19/95/31/197199531.db2.gz YAWURIGEEUPWGF-KRWDZBQOSA-N 2 1 300.487 2.386 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000156797537 197141209 /nfs/dbraw/zinc/14/12/09/197141209.db2.gz ULKQZLLFJGDDQD-HIFRSBDPSA-N 2 1 324.513 2.324 10 0 DEAEMP CCOC(=O)c1c[nH+]ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000360122086 133163829 /nfs/dbraw/zinc/16/38/29/133163829.db2.gz KDEWFCTVOJXZJI-UHFFFAOYSA-N 2 1 303.406 2.109 10 0 DEAEMP c1cn(CCC[N@@H+]2CCO[C@H](COc3ccccc3)C2)cn1 ZINC000361990024 133204016 /nfs/dbraw/zinc/20/40/16/133204016.db2.gz ZLUSWLSPXMMRTB-KRWDZBQOSA-N 2 1 301.390 2.053 10 0 DEAEMP c1cn(CCC[N@H+]2CCO[C@H](COc3ccccc3)C2)cn1 ZINC000361990024 133204017 /nfs/dbraw/zinc/20/40/17/133204017.db2.gz ZLUSWLSPXMMRTB-KRWDZBQOSA-N 2 1 301.390 2.053 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCS[C@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564803598 292111798 /nfs/dbraw/zinc/11/17/98/292111798.db2.gz KGJPRVOUIBQCSX-SJORKVTESA-N 2 1 304.459 2.039 10 0 DEAEMP CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261676634 145215703 /nfs/dbraw/zinc/21/57/03/145215703.db2.gz HTJRFOMRFAIHBF-AWEZNQCLSA-N 2 1 321.440 2.467 10 0 DEAEMP CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000261676634 145215704 /nfs/dbraw/zinc/21/57/04/145215704.db2.gz HTJRFOMRFAIHBF-AWEZNQCLSA-N 2 1 321.440 2.467 10 0 DEAEMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683084 145216309 /nfs/dbraw/zinc/21/63/09/145216309.db2.gz KBQNGWVPUXMMCI-BBRMVZONSA-N 2 1 320.433 2.186 10 0 DEAEMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261683084 145216311 /nfs/dbraw/zinc/21/63/11/145216311.db2.gz KBQNGWVPUXMMCI-BBRMVZONSA-N 2 1 320.433 2.186 10 0 DEAEMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261810806 145228726 /nfs/dbraw/zinc/22/87/26/145228726.db2.gz GNAXVJGASYSPDT-KBPBESRZSA-N 2 1 313.405 2.422 10 0 DEAEMP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261903398 145239648 /nfs/dbraw/zinc/23/96/48/145239648.db2.gz HZMFXBHZRSHPOD-RCCFBDPRSA-N 2 1 318.461 2.429 10 0 DEAEMP Cc1cccc(C(=O)N2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261922359 145241685 /nfs/dbraw/zinc/24/16/85/145241685.db2.gz BUHSFPHEOJWGGD-IBGZPJMESA-N 2 1 315.461 2.143 10 0 DEAEMP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261922359 145241687 /nfs/dbraw/zinc/24/16/87/145241687.db2.gz BUHSFPHEOJWGGD-IBGZPJMESA-N 2 1 315.461 2.143 10 0 DEAEMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1c1cccc(F)c1 ZINC000262091621 145260314 /nfs/dbraw/zinc/26/03/14/145260314.db2.gz LMKVFBRXSCSWHS-KDOFPFPSSA-N 2 1 319.424 2.031 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000111420917 401714749 /nfs/dbraw/zinc/71/47/49/401714749.db2.gz ORPMYSKWRNNOJU-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000111420917 401714752 /nfs/dbraw/zinc/71/47/52/401714752.db2.gz ORPMYSKWRNNOJU-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000111420917 401714753 /nfs/dbraw/zinc/71/47/53/401714753.db2.gz ORPMYSKWRNNOJU-JKSUJKDBSA-N 2 1 310.486 2.034 10 0 DEAEMP CCC[NH+](CCC)CCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113614198 401783997 /nfs/dbraw/zinc/78/39/97/401783997.db2.gz NSNRCUDLSHITHR-DLBZAZTESA-N 2 1 324.513 2.377 10 0 DEAEMP CCC(CC)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121070503 402013405 /nfs/dbraw/zinc/01/34/05/402013405.db2.gz PCTMDCTUNWSIBI-GOSISDBHSA-N 2 1 311.514 2.149 10 0 DEAEMP COc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121140721 402017100 /nfs/dbraw/zinc/01/71/00/402017100.db2.gz SVFYZNOQXRGPIX-OAHLLOKOSA-N 2 1 306.450 2.220 10 0 DEAEMP C[C@H](NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000123196378 402114963 /nfs/dbraw/zinc/11/49/63/402114963.db2.gz PBCKJTZFUNWYTI-IHRRRGAJSA-N 2 1 309.479 2.340 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176100845 402279045 /nfs/dbraw/zinc/27/90/45/402279045.db2.gz USYQZZRJKGDUQP-GOEBONIOSA-N 2 1 321.469 2.096 10 0 DEAEMP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176100845 402279048 /nfs/dbraw/zinc/27/90/48/402279048.db2.gz USYQZZRJKGDUQP-GOEBONIOSA-N 2 1 321.469 2.096 10 0 DEAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176100845 402279049 /nfs/dbraw/zinc/27/90/49/402279049.db2.gz USYQZZRJKGDUQP-GOEBONIOSA-N 2 1 321.469 2.096 10 0 DEAEMP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000158991231 402315523 /nfs/dbraw/zinc/31/55/23/402315523.db2.gz DTXCLPIVPHQDPC-QZTJIDSGSA-N 2 1 317.477 2.498 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1CC ZINC000177511325 402411172 /nfs/dbraw/zinc/41/11/72/402411172.db2.gz ZHIOVCBDXQVXGY-IRXDYDNUSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177511325 402411174 /nfs/dbraw/zinc/41/11/74/402411174.db2.gz ZHIOVCBDXQVXGY-IRXDYDNUSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177511325 402411177 /nfs/dbraw/zinc/41/11/77/402411177.db2.gz ZHIOVCBDXQVXGY-IRXDYDNUSA-N 2 1 324.513 2.377 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000177852674 402441355 /nfs/dbraw/zinc/44/13/55/402441355.db2.gz FTATZEDQIBTBJI-CRAIPNDOSA-N 2 1 315.461 2.364 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C ZINC000177852674 402441358 /nfs/dbraw/zinc/44/13/58/402441358.db2.gz FTATZEDQIBTBJI-CRAIPNDOSA-N 2 1 315.461 2.364 10 0 DEAEMP CC(C)[NH+](CCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)C(C)C ZINC000245430988 402459805 /nfs/dbraw/zinc/45/98/05/402459805.db2.gz NUWBNBZRKQGMCQ-SJORKVTESA-N 2 1 324.513 2.373 10 0 DEAEMP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000178296574 402481144 /nfs/dbraw/zinc/48/11/44/402481144.db2.gz SMIFZRXUANJBPU-QZTJIDSGSA-N 2 1 324.428 2.461 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000178296574 402481149 /nfs/dbraw/zinc/48/11/49/402481149.db2.gz SMIFZRXUANJBPU-QZTJIDSGSA-N 2 1 324.428 2.461 10 0 DEAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC000245764999 402486121 /nfs/dbraw/zinc/48/61/21/402486121.db2.gz QLUXXUBMRHXYLX-RTBURBONSA-N 2 1 321.509 2.070 10 0 DEAEMP COC[C@@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000187657154 402507019 /nfs/dbraw/zinc/50/70/19/402507019.db2.gz KACWKEUITYYZRW-PKOBYXMFSA-N 2 1 319.493 2.237 10 0 DEAEMP CC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246950241 402551107 /nfs/dbraw/zinc/55/11/07/402551107.db2.gz BGWHMOJPYJAPDJ-RBUKOAKNSA-N 2 1 320.477 2.135 10 0 DEAEMP COC(=O)c1coc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171109240 402558661 /nfs/dbraw/zinc/55/86/61/402558661.db2.gz XOGVWWZWUCSVJV-UHFFFAOYSA-N 2 1 306.406 2.374 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246341726 402525973 /nfs/dbraw/zinc/52/59/73/402525973.db2.gz OVLLSFJPSVARLE-ARFHVFGLSA-N 2 1 312.502 2.087 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000246485664 402533294 /nfs/dbraw/zinc/53/32/94/402533294.db2.gz VZBFWJTWFZYXCJ-IKGGRYGDSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000246485664 402533298 /nfs/dbraw/zinc/53/32/98/402533298.db2.gz VZBFWJTWFZYXCJ-IKGGRYGDSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000246485664 402533300 /nfs/dbraw/zinc/53/33/00/402533300.db2.gz VZBFWJTWFZYXCJ-IKGGRYGDSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000174174130 402729981 /nfs/dbraw/zinc/72/99/81/402729981.db2.gz GYBVFXJIWMRNNF-IKGGRYGDSA-N 2 1 324.513 2.233 10 0 DEAEMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263316709 402758006 /nfs/dbraw/zinc/75/80/06/402758006.db2.gz ZNKTUJMSGLCSBM-MSOLQXFVSA-N 2 1 312.413 2.032 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000174878139 402761156 /nfs/dbraw/zinc/76/11/56/402761156.db2.gz WSFULJGVHKHPGM-GOSISDBHSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000174878139 402761161 /nfs/dbraw/zinc/76/11/61/402761161.db2.gz WSFULJGVHKHPGM-GOSISDBHSA-N 2 1 305.441 2.428 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000175202477 402787441 /nfs/dbraw/zinc/78/74/41/402787441.db2.gz MAXACAXGTWJAQV-LSDHHAIUSA-N 2 1 304.438 2.092 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000175202477 402787445 /nfs/dbraw/zinc/78/74/45/402787445.db2.gz MAXACAXGTWJAQV-LSDHHAIUSA-N 2 1 304.438 2.092 10 0 DEAEMP Cc1cc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000302217708 403708775 /nfs/dbraw/zinc/70/87/75/403708775.db2.gz KBVAUQYCUYQJAH-OALUTQOASA-N 2 1 309.413 2.480 10 0 DEAEMP Cc1cc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)cc[nH+]1 ZINC000302217708 403708779 /nfs/dbraw/zinc/70/87/79/403708779.db2.gz KBVAUQYCUYQJAH-OALUTQOASA-N 2 1 309.413 2.480 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C12CCOCC2 ZINC000249025510 286389823 /nfs/dbraw/zinc/38/98/23/286389823.db2.gz RLGUOUMOMUYLEX-BHYGNILZSA-N 2 1 321.465 2.391 10 0 DEAEMP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588257 404115817 /nfs/dbraw/zinc/11/58/17/404115817.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 2 1 300.450 2.267 10 0 DEAEMP CC[C@@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851752 405715496 /nfs/dbraw/zinc/71/54/96/405715496.db2.gz RQKZHHQPHNPRRN-DLBZAZTESA-N 2 1 303.450 2.285 10 0 DEAEMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000638852530 405715699 /nfs/dbraw/zinc/71/56/99/405715699.db2.gz YCJHKXMOWFHFET-ZWKOTPCHSA-N 2 1 315.461 2.299 10 0 DEAEMP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852531 405715886 /nfs/dbraw/zinc/71/58/86/405715886.db2.gz YCYNIYOTFCVOAY-AEFFLSMTSA-N 2 1 317.477 2.403 10 0 DEAEMP Brc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000423302146 405751849 /nfs/dbraw/zinc/75/18/49/405751849.db2.gz IYYKEIKLYAGWQQ-CYBMUJFWSA-N 2 1 311.223 2.472 10 0 DEAEMP CCn1nncc1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391766 405884489 /nfs/dbraw/zinc/88/44/89/405884489.db2.gz DBGJAISTMRKHPB-DOTOQJQBSA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459391766 405884492 /nfs/dbraw/zinc/88/44/92/405884492.db2.gz DBGJAISTMRKHPB-DOTOQJQBSA-N 2 1 313.449 2.298 10 0 DEAEMP CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459391766 405884493 /nfs/dbraw/zinc/88/44/93/405884493.db2.gz DBGJAISTMRKHPB-DOTOQJQBSA-N 2 1 313.449 2.298 10 0 DEAEMP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Nc4ncccn4)C3)cc2)cn1 ZINC000567905306 406158408 /nfs/dbraw/zinc/15/84/08/406158408.db2.gz QZATVZQEEGBSLA-MRXNPFEDSA-N 2 1 320.400 2.349 10 0 DEAEMP CC(C)(C)OCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700763 406232251 /nfs/dbraw/zinc/23/22/51/406232251.db2.gz FHULQIFVPSWCAK-GOSISDBHSA-N 2 1 306.450 2.028 10 0 DEAEMP CC(C)(C)OCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700763 406232255 /nfs/dbraw/zinc/23/22/55/406232255.db2.gz FHULQIFVPSWCAK-GOSISDBHSA-N 2 1 306.450 2.028 10 0 DEAEMP c1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc(N2CCCCC2)[nH+]1 ZINC000634812714 406296037 /nfs/dbraw/zinc/29/60/37/406296037.db2.gz PNTKXLINXVFNOL-GJZGRUSLSA-N 2 1 301.438 2.045 10 0 DEAEMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000640017866 406356860 /nfs/dbraw/zinc/35/68/60/406356860.db2.gz SFXQJUSJKJAYJD-SFHVURJKSA-N 2 1 320.477 2.370 10 0 DEAEMP CCCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637907744 406472984 /nfs/dbraw/zinc/47/29/84/406472984.db2.gz SSOGVZVQBLNCBI-UHFFFAOYSA-N 2 1 303.450 2.238 10 0 DEAEMP C[C@@H](CCNC(=O)CCC1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000638132715 406587657 /nfs/dbraw/zinc/58/76/57/406587657.db2.gz SDCPEJVBBCXXCS-HNNXBMFYSA-N 2 1 303.450 2.013 10 0 DEAEMP CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129316670 196038059 /nfs/dbraw/zinc/03/80/59/196038059.db2.gz UCECBOMGCNKDSE-UYTSQGDYSA-N 2 1 316.511 2.052 10 0 DEAEMP c1ccc2nc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422704072 230170609 /nfs/dbraw/zinc/17/06/09/230170609.db2.gz OMEXSUNKYDCSRY-QXAKKESOSA-N 2 1 311.429 2.482 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390715919 424917366 /nfs/dbraw/zinc/91/73/66/424917366.db2.gz CLTGBNYEXIIQLW-RCCFBDPRSA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000401665577 269112437 /nfs/dbraw/zinc/11/24/37/269112437.db2.gz HCSFTDJSTUCGIS-KGLIPLIRSA-N 2 1 322.453 2.198 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000113576718 300313037 /nfs/dbraw/zinc/31/30/37/300313037.db2.gz XYZKXULLXAJXDV-DZGCQCFKSA-N 2 1 322.497 2.174 10 0 DEAEMP CN(C)C(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000582702389 337122126 /nfs/dbraw/zinc/12/21/26/337122126.db2.gz LQDJPEKDHUHTJI-QGZVFWFLSA-N 2 1 309.498 2.443 10 0 DEAEMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(N)=O)CC2)c1 ZINC000161713985 519629205 /nfs/dbraw/zinc/62/92/05/519629205.db2.gz MIFFGQARFZXSRM-UHFFFAOYSA-N 2 1 318.465 2.160 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000248866403 524828482 /nfs/dbraw/zinc/82/84/82/524828482.db2.gz NIFICXTZUIWNCR-JKSUJKDBSA-N 2 1 303.450 2.237 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000190030772 527977725 /nfs/dbraw/zinc/97/77/25/527977725.db2.gz SAJBRYWINPDVDV-MRXNPFEDSA-N 2 1 324.513 2.233 10 0 DEAEMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246859801 534941474 /nfs/dbraw/zinc/94/14/74/534941474.db2.gz SHSGBYKDYIUQMK-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP CCC[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000246859801 534941476 /nfs/dbraw/zinc/94/14/76/534941476.db2.gz SHSGBYKDYIUQMK-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP CCC[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246859801 534941479 /nfs/dbraw/zinc/94/14/79/534941479.db2.gz SHSGBYKDYIUQMK-XYTVBORESA-N 2 1 322.497 2.033 10 0 DEAEMP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554238 535298255 /nfs/dbraw/zinc/29/82/55/535298255.db2.gz UCHCWOOVWMSSQY-IAGOWNOFSA-N 2 1 315.461 2.155 10 0 DEAEMP COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261846989 536780307 /nfs/dbraw/zinc/78/03/07/536780307.db2.gz AYAWHGIKZUMYJD-KURKYZTESA-N 2 1 304.434 2.080 10 0 DEAEMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000232500871 635930022 /nfs/dbraw/zinc/93/00/22/635930022.db2.gz QAKCTPJXOUDRGP-GDBMZVCRSA-N 2 1 323.481 2.460 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724936906 787355045 /nfs/dbraw/zinc/35/50/45/787355045.db2.gz ONZVTFDFFPUULH-NEWSRXKRSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724936906 787355056 /nfs/dbraw/zinc/35/50/56/787355056.db2.gz ONZVTFDFFPUULH-NEWSRXKRSA-N 2 1 318.461 2.292 10 0 DEAEMP OC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716653601 792984253 /nfs/dbraw/zinc/98/42/53/792984253.db2.gz ZBUJPMXVOVESPY-QTMHVTGLSA-N 2 1 300.446 2.400 10 0 DEAEMP CN(C(=O)CC[NH2+]CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000717153329 799256449 /nfs/dbraw/zinc/25/64/49/799256449.db2.gz YEISCLFJVOUVOG-SFHVURJKSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@H](CO)C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925128 1086626669 /nfs/dbraw/zinc/62/66/69/1086626669.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@H](CO)C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925128 1086626670 /nfs/dbraw/zinc/62/66/70/1086626670.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@H](CO)C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925128 1086626675 /nfs/dbraw/zinc/62/66/75/1086626675.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@H](CO)C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925128 1086626678 /nfs/dbraw/zinc/62/66/78/1086626678.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 2 1 302.462 2.459 10 0 DEAEMP C[C@H](CO)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705925123 1086626845 /nfs/dbraw/zinc/62/68/45/1086626845.db2.gz CDVHHFOBTFQKII-QXAKKESOSA-N 2 1 302.462 2.459 10 0 DEAEMP Cn1nc(Br)cc1C[N@@H+](C)CCCCCC[NH3+] ZINC000710799605 1086689816 /nfs/dbraw/zinc/68/98/16/1086689816.db2.gz QUFHJPBZFCTDEE-UHFFFAOYSA-N 2 1 303.248 2.134 10 0 DEAEMP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000720249100 1089537927 /nfs/dbraw/zinc/53/79/27/1089537927.db2.gz KPNFCMVULAVUFF-NXEZZACHSA-N 2 1 302.287 2.375 10 0 DEAEMP CCC[C@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000087526078 185227666 /nfs/dbraw/zinc/22/76/66/185227666.db2.gz WJOUDCWOYOSANC-CQSZACIVSA-N 2 1 309.479 2.157 10 0 DEAEMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)ccc1F ZINC000179406569 282224579 /nfs/dbraw/zinc/22/45/79/282224579.db2.gz SVXSJASXQGGCBF-CYBMUJFWSA-N 2 1 310.413 2.332 10 0 DEAEMP COc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000092625203 185329656 /nfs/dbraw/zinc/32/96/56/185329656.db2.gz VXMQUMYNJQMLHN-ZFWWWQNUSA-N 2 1 311.857 2.374 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152428094 186071667 /nfs/dbraw/zinc/07/16/67/186071667.db2.gz AUZLDRLMEDLJKA-XJKSGUPXSA-N 2 1 312.417 2.452 10 0 DEAEMP CC[N@H+]1CCO[C@H](Cn2cc(C[NH3+])c3ccc(Cl)cc32)C1 ZINC000163987699 186144695 /nfs/dbraw/zinc/14/46/95/186144695.db2.gz SIIDBHLZHRBBME-AWEZNQCLSA-N 2 1 307.825 2.474 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309730800 539878214 /nfs/dbraw/zinc/87/82/14/539878214.db2.gz OZRONCHGRXLOMA-WBVHZDCISA-N 2 1 303.450 2.013 10 0 DEAEMP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333551958 539963416 /nfs/dbraw/zinc/96/34/16/539963416.db2.gz KIEYWMRMYUZQIE-YVSFHVDLSA-N 2 1 316.449 2.001 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000246324458 535265310 /nfs/dbraw/zinc/26/53/10/535265310.db2.gz ODMOEZPHLWDPEH-JKSUJKDBSA-N 2 1 312.502 2.090 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000262679364 356343707 /nfs/dbraw/zinc/34/37/07/356343707.db2.gz VSTVOLDBNXIIEP-HZMVEIRTSA-N 2 1 309.498 2.201 10 0 DEAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2COCCO2)C3)cc1 ZINC000447534304 239002338 /nfs/dbraw/zinc/00/23/38/239002338.db2.gz WFJRLBZNCHFVCW-FCGDIQPGSA-N 2 1 316.445 2.187 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591548 239035832 /nfs/dbraw/zinc/03/58/32/239035832.db2.gz DLKKCEAQOGXGGN-IEBWSBKVSA-N 3 1 319.493 2.065 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591548 239035844 /nfs/dbraw/zinc/03/58/44/239035844.db2.gz DLKKCEAQOGXGGN-IEBWSBKVSA-N 3 1 319.493 2.065 10 0 DEAEMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275447850 212339437 /nfs/dbraw/zinc/33/94/37/212339437.db2.gz GGXGZZUSMWLWNT-LLVKDONJSA-N 2 1 307.829 2.185 10 0 DEAEMP CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093132629 193205857 /nfs/dbraw/zinc/20/58/57/193205857.db2.gz JYQLREJWWKPYFL-SFHVURJKSA-N 2 1 317.477 2.297 10 0 DEAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384661 193367929 /nfs/dbraw/zinc/36/79/29/193367929.db2.gz JWWCXLWNCNVLJP-KLHDSHLOSA-N 2 1 310.507 2.361 10 0 DEAEMP CCC[NH2+][C@H]1[C@@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430076 193368985 /nfs/dbraw/zinc/36/89/85/193368985.db2.gz JXNUJKVLOXHSGV-KGLIPLIRSA-N 2 1 300.487 2.261 10 0 DEAEMP C[C@H]1C[C@@](C[NH3+])(N2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094473231 193372603 /nfs/dbraw/zinc/37/26/03/193372603.db2.gz ICTQEYHJDKCYTR-RDJZCZTQSA-N 2 1 305.491 2.027 10 0 DEAEMP Cc1ncc2c(c1-c1noc([C@@H]3CCCC[N@H+]3C)n1)CC[NH2+]C2 ZINC000020535761 182227970 /nfs/dbraw/zinc/22/79/70/182227970.db2.gz STDKMBGNCQERCD-AWEZNQCLSA-N 2 1 313.405 2.243 10 0 DEAEMP Cc1ncc2c(c1-c1noc([C@@H]3CCCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000020535761 182227972 /nfs/dbraw/zinc/22/79/72/182227972.db2.gz STDKMBGNCQERCD-AWEZNQCLSA-N 2 1 313.405 2.243 10 0 DEAEMP C[NH2+][C@@H]1CCCc2nc(N3CCC[N@H+]4CCC[C@@H]4C3)sc21 ZINC000062942688 184261651 /nfs/dbraw/zinc/26/16/51/184261651.db2.gz UTAFYLPABCISKY-CHWSQXEVSA-N 2 1 306.479 2.414 10 0 DEAEMP C[NH2+][C@H]1CCCc2nc(N3CCC[N@H+]4CCC[C@@H]4C3)sc21 ZINC000062942689 184262167 /nfs/dbraw/zinc/26/21/67/184262167.db2.gz UTAFYLPABCISKY-OLZOCXBDSA-N 2 1 306.479 2.414 10 0 DEAEMP CC[NH2+][C@](C)(CCC[N@H+](C)CCOC(C)C)C(=O)OCC ZINC000157489515 197191227 /nfs/dbraw/zinc/19/12/27/197191227.db2.gz BXDJRANXOJRGTD-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)CCOC(C)C)C(=O)OCC ZINC000157489515 197191229 /nfs/dbraw/zinc/19/12/29/197191229.db2.gz BXDJRANXOJRGTD-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[C@H](C[NH+]2CCCC2)O3)cn1 ZINC000248123071 257108711 /nfs/dbraw/zinc/10/87/11/257108711.db2.gz KRVQBIHGVQQVDV-MSOLQXFVSA-N 2 1 318.465 2.030 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000358180936 133126481 /nfs/dbraw/zinc/12/64/81/133126481.db2.gz CFAWKHYQBQBYOK-UHFFFAOYSA-N 2 1 322.497 2.058 10 0 DEAEMP Cn1c2ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc2sc1=O ZINC000192453188 145074033 /nfs/dbraw/zinc/07/40/33/145074033.db2.gz XHWGDZSZZNXSMX-UHFFFAOYSA-N 2 1 307.463 2.277 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246683610 145110890 /nfs/dbraw/zinc/11/08/90/145110890.db2.gz JYFPMZPCCGXBHU-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246683610 145110892 /nfs/dbraw/zinc/11/08/92/145110892.db2.gz JYFPMZPCCGXBHU-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246683610 145110899 /nfs/dbraw/zinc/11/08/99/145110899.db2.gz JYFPMZPCCGXBHU-IXDOHACOSA-N 2 1 306.450 2.149 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246948790 145120015 /nfs/dbraw/zinc/12/00/15/145120015.db2.gz SAMNBPSGXXPMLY-XYTVBORESA-N 2 1 322.497 2.175 10 0 DEAEMP C[C@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948790 145120016 /nfs/dbraw/zinc/12/00/16/145120016.db2.gz SAMNBPSGXXPMLY-XYTVBORESA-N 2 1 322.497 2.175 10 0 DEAEMP C[C@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246948790 145120018 /nfs/dbraw/zinc/12/00/18/145120018.db2.gz SAMNBPSGXXPMLY-XYTVBORESA-N 2 1 322.497 2.175 10 0 DEAEMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247239469 145129966 /nfs/dbraw/zinc/12/99/66/145129966.db2.gz ZVENWRRONOBTEM-CJNGLKHVSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247239469 145129967 /nfs/dbraw/zinc/12/99/67/145129967.db2.gz ZVENWRRONOBTEM-CJNGLKHVSA-N 2 1 306.454 2.349 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247347122 145134524 /nfs/dbraw/zinc/13/45/24/145134524.db2.gz OOZNEURSDFSNCN-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247347122 145134526 /nfs/dbraw/zinc/13/45/26/145134526.db2.gz OOZNEURSDFSNCN-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247347122 145134527 /nfs/dbraw/zinc/13/45/27/145134527.db2.gz OOZNEURSDFSNCN-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247347122 145134530 /nfs/dbraw/zinc/13/45/30/145134530.db2.gz OOZNEURSDFSNCN-GVDBMIGSSA-N 2 1 306.450 2.149 10 0 DEAEMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248152020 145149402 /nfs/dbraw/zinc/14/94/02/145149402.db2.gz QWCONAKWUHUDNP-XJKSGUPXSA-N 2 1 305.397 2.180 10 0 DEAEMP C[C@H](CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCCCC1 ZINC000248497322 145157416 /nfs/dbraw/zinc/15/74/16/145157416.db2.gz RDXCYYCSBKBFBL-IKGGRYGDSA-N 2 1 322.497 2.129 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000253356495 145202092 /nfs/dbraw/zinc/20/20/92/145202092.db2.gz RMILIKDLGRYCSL-ROUUACIJSA-N 2 1 315.461 2.109 10 0 DEAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000253356495 145202093 /nfs/dbraw/zinc/20/20/93/145202093.db2.gz RMILIKDLGRYCSL-ROUUACIJSA-N 2 1 315.461 2.109 10 0 DEAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000253356495 145202094 /nfs/dbraw/zinc/20/20/94/145202094.db2.gz RMILIKDLGRYCSL-ROUUACIJSA-N 2 1 315.461 2.109 10 0 DEAEMP CSc1cc2c(cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1)OCCO2 ZINC000261612642 145210471 /nfs/dbraw/zinc/21/04/71/145210471.db2.gz BJPGXLUWLXYCES-INIZCTEOSA-N 2 1 308.447 2.350 10 0 DEAEMP CSc1cc2c(cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1)OCCO2 ZINC000261612642 145210472 /nfs/dbraw/zinc/21/04/72/145210472.db2.gz BJPGXLUWLXYCES-INIZCTEOSA-N 2 1 308.447 2.350 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261741721 145222160 /nfs/dbraw/zinc/22/21/60/145222160.db2.gz SFCBOVNBEGAQGH-VQHPVUNQSA-N 2 1 307.482 2.288 10 0 DEAEMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819274 145230334 /nfs/dbraw/zinc/23/03/34/145230334.db2.gz IFTYADLNZWZPMC-YPMHNXCESA-N 2 1 305.447 2.159 10 0 DEAEMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000261819274 145230336 /nfs/dbraw/zinc/23/03/36/145230336.db2.gz IFTYADLNZWZPMC-YPMHNXCESA-N 2 1 305.447 2.159 10 0 DEAEMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261850004 145233270 /nfs/dbraw/zinc/23/32/70/145233270.db2.gz BEHIABKIEGJSRS-KSZLIROESA-N 2 1 311.429 2.482 10 0 DEAEMP CCOC(=O)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952013 145246526 /nfs/dbraw/zinc/24/65/26/145246526.db2.gz GCESDWGJIYXYEM-SJLPKXTDSA-N 2 1 302.418 2.149 10 0 DEAEMP CCOC(=O)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)Cc2ccccc21 ZINC000261952013 145246528 /nfs/dbraw/zinc/24/65/28/145246528.db2.gz GCESDWGJIYXYEM-SJLPKXTDSA-N 2 1 302.418 2.149 10 0 DEAEMP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261974401 145248504 /nfs/dbraw/zinc/24/85/04/145248504.db2.gz QZFNQEPUPVPZLX-KZNAEPCWSA-N 2 1 304.434 2.121 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(-c2cccs2)c1 ZINC000263194734 145335056 /nfs/dbraw/zinc/33/50/56/145335056.db2.gz IHQNHGLAHWGLKI-IUODEOHRSA-N 2 1 306.406 2.224 10 0 DEAEMP O=C1NCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348101979 146216566 /nfs/dbraw/zinc/21/65/66/146216566.db2.gz KDEVGAJFOWVILD-FBVQUNGASA-N 2 1 313.445 2.050 10 0 DEAEMP O=C1NCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348101979 146216568 /nfs/dbraw/zinc/21/65/68/146216568.db2.gz KDEVGAJFOWVILD-FBVQUNGASA-N 2 1 313.445 2.050 10 0 DEAEMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359283116 147298672 /nfs/dbraw/zinc/29/86/72/147298672.db2.gz YBPPHWOQHBVRNH-KRWDZBQOSA-N 2 1 309.498 2.443 10 0 DEAEMP CCCNC(=O)[C@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370306280 148004680 /nfs/dbraw/zinc/00/46/80/148004680.db2.gz UUWTYWHHSVCRTN-GJZGRUSLSA-N 2 1 318.465 2.314 10 0 DEAEMP CCCNC(=O)[C@@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370306279 148005138 /nfs/dbraw/zinc/00/51/38/148005138.db2.gz UUWTYWHHSVCRTN-CABCVRRESA-N 2 1 318.465 2.314 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115815249 401837702 /nfs/dbraw/zinc/83/77/02/401837702.db2.gz SBVJIOZQEGJRHI-KRWDZBQOSA-N 2 1 324.513 2.092 10 0 DEAEMP COc1cccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136067184 401959206 /nfs/dbraw/zinc/95/92/06/401959206.db2.gz RUBRCIYFCJSXCC-SFHVURJKSA-N 2 1 317.477 2.297 10 0 DEAEMP COc1cccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136067184 401959210 /nfs/dbraw/zinc/95/92/10/401959210.db2.gz RUBRCIYFCJSXCC-SFHVURJKSA-N 2 1 317.477 2.297 10 0 DEAEMP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047972681 401991508 /nfs/dbraw/zinc/99/15/08/401991508.db2.gz CPUSIQICAFKEAX-UHFFFAOYSA-N 2 1 315.461 2.457 10 0 DEAEMP Cn1c(C[NH+]2CCC(CCC[NH+](C)C)CC2)nnc1C1CC1 ZINC000123138749 402112822 /nfs/dbraw/zinc/11/28/22/402112822.db2.gz SSMYPTZEJHHTQS-UHFFFAOYSA-N 2 1 305.470 2.246 10 0 DEAEMP O=C(C[NH2+]C1CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000238161501 402439648 /nfs/dbraw/zinc/43/96/48/402439648.db2.gz QFGPODJONSFDGJ-AYHJJNSGSA-N 2 1 313.445 2.050 10 0 DEAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)n1 ZINC000186975061 402475191 /nfs/dbraw/zinc/47/51/91/402475191.db2.gz IFZITPDGMAJXAP-HNNXBMFYSA-N 2 1 305.466 2.223 10 0 DEAEMP Cc1nc(C)n(C[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245707946 402481596 /nfs/dbraw/zinc/48/15/96/402481596.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 2 1 305.470 2.091 10 0 DEAEMP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245707946 402481597 /nfs/dbraw/zinc/48/15/97/402481597.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 2 1 305.470 2.091 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304884 402482338 /nfs/dbraw/zinc/48/23/38/402482338.db2.gz YTUHVZFATBMZEQ-SQWLQELKSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304884 402482340 /nfs/dbraw/zinc/48/23/40/402482340.db2.gz YTUHVZFATBMZEQ-SQWLQELKSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000245965706 402500883 /nfs/dbraw/zinc/50/08/83/402500883.db2.gz DOVRFYNOYUFVER-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000245965706 402500887 /nfs/dbraw/zinc/50/08/87/402500887.db2.gz DOVRFYNOYUFVER-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000245965706 402500890 /nfs/dbraw/zinc/50/08/90/402500890.db2.gz DOVRFYNOYUFVER-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327965 402525213 /nfs/dbraw/zinc/52/52/13/402525213.db2.gz CPXMDWUDKAMSFD-RDJZCZTQSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327965 402525216 /nfs/dbraw/zinc/52/52/16/402525216.db2.gz CPXMDWUDKAMSFD-RDJZCZTQSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327965 402525218 /nfs/dbraw/zinc/52/52/18/402525218.db2.gz CPXMDWUDKAMSFD-RDJZCZTQSA-N 2 1 324.513 2.233 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246406420 402529498 /nfs/dbraw/zinc/52/94/98/402529498.db2.gz LQPBHMDPEGZRNY-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246406420 402529499 /nfs/dbraw/zinc/52/94/99/402529499.db2.gz LQPBHMDPEGZRNY-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246406420 402529500 /nfs/dbraw/zinc/52/95/00/402529500.db2.gz LQPBHMDPEGZRNY-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP 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DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COC(C)(C)C)C2)[nH+]1 ZINC000247440106 281245310 /nfs/dbraw/zinc/24/53/10/281245310.db2.gz XQUQOJNQFWHDFW-JKSUJKDBSA-N 2 1 321.465 2.300 10 0 DEAEMP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248199890 536103519 /nfs/dbraw/zinc/10/35/19/536103519.db2.gz YHOKNHWBTXSGGK-ZWKOTPCHSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248199890 536103524 /nfs/dbraw/zinc/10/35/24/536103524.db2.gz YHOKNHWBTXSGGK-ZWKOTPCHSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248199890 536103528 /nfs/dbraw/zinc/10/35/28/536103528.db2.gz YHOKNHWBTXSGGK-ZWKOTPCHSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248199890 536103535 /nfs/dbraw/zinc/10/35/35/536103535.db2.gz YHOKNHWBTXSGGK-ZWKOTPCHSA-N 2 1 315.461 2.305 10 0 DEAEMP COc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261788787 537082173 /nfs/dbraw/zinc/08/21/73/537082173.db2.gz SUHLLYYTDSAUOW-OAHLLOKOSA-N 2 1 317.433 2.098 10 0 DEAEMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000066243426 625057037 /nfs/dbraw/zinc/05/70/37/625057037.db2.gz YULHAKXZYYLSPS-OAHLLOKOSA-N 2 1 318.465 2.226 10 0 DEAEMP CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309815924 625779870 /nfs/dbraw/zinc/77/98/70/625779870.db2.gz XTCDHHAWBGCNSR-XOYOTBSWSA-N 2 1 315.461 2.011 10 0 DEAEMP Cn1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C)c3)C2)c1 ZINC000886088672 692000894 /nfs/dbraw/zinc/00/08/94/692000894.db2.gz IBXNIZWETBNHBO-GOSISDBHSA-N 2 1 314.433 2.135 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000716240989 792944260 /nfs/dbraw/zinc/94/42/60/792944260.db2.gz IBNJZPJTIWAFEV-JEVOJNTISA-N 2 1 316.445 2.187 10 0 DEAEMP c1ccc(COC2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000716240989 792944264 /nfs/dbraw/zinc/94/42/64/792944264.db2.gz IBNJZPJTIWAFEV-JEVOJNTISA-N 2 1 316.445 2.187 10 0 DEAEMP CC(C)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716735032 793005780 /nfs/dbraw/zinc/00/57/80/793005780.db2.gz YBVGYYIHXHQHJV-KSZLIROESA-N 2 1 315.461 2.154 10 0 DEAEMP CC(C)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716735032 793005792 /nfs/dbraw/zinc/00/57/92/793005792.db2.gz YBVGYYIHXHQHJV-KSZLIROESA-N 2 1 315.461 2.154 10 0 DEAEMP c1cc(OCC[NH+]2CCCC2)ccc1CNCC[NH+]1CCCC1 ZINC000073649767 796156561 /nfs/dbraw/zinc/15/65/61/796156561.db2.gz YLFIRRBBKLWADN-UHFFFAOYSA-N 2 1 317.477 2.347 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712013 801844390 /nfs/dbraw/zinc/84/43/90/801844390.db2.gz WBAVZPPDMBXGMV-ZFWWWQNUSA-N 2 1 322.453 2.427 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000075334493 1080237448 /nfs/dbraw/zinc/23/74/48/1080237448.db2.gz NVCTVONVDGFOEO-IRXDYDNUSA-N 2 1 309.498 2.440 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000075334493 1080237457 /nfs/dbraw/zinc/23/74/57/1080237457.db2.gz NVCTVONVDGFOEO-IRXDYDNUSA-N 2 1 309.498 2.440 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000075334493 1080237466 /nfs/dbraw/zinc/23/74/66/1080237466.db2.gz NVCTVONVDGFOEO-IRXDYDNUSA-N 2 1 309.498 2.440 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748594 1086333872 /nfs/dbraw/zinc/33/38/72/1086333872.db2.gz BPULPXGLKFHHRV-XGUBFFRZSA-N 2 1 311.470 2.457 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748594 1086333880 /nfs/dbraw/zinc/33/38/80/1086333880.db2.gz BPULPXGLKFHHRV-XGUBFFRZSA-N 2 1 311.470 2.457 10 0 DEAEMP C[N@H+](CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000710838213 1086689720 /nfs/dbraw/zinc/68/97/20/1086689720.db2.gz URHPPPNUVDVHEN-UHFFFAOYSA-N 2 1 311.470 2.317 10 0 DEAEMP C[N@@H+](CC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000710838213 1086689726 /nfs/dbraw/zinc/68/97/26/1086689726.db2.gz URHPPPNUVDVHEN-UHFFFAOYSA-N 2 1 311.470 2.317 10 0 DEAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(c2nc(C3CC3)ns2)CC1 ZINC000087639632 185229752 /nfs/dbraw/zinc/22/97/52/185229752.db2.gz QEXIBIKGYLXIAV-CYBMUJFWSA-N 2 1 309.483 2.055 10 0 DEAEMP C[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1cc(Br)cs1 ZINC000090438881 185296726 /nfs/dbraw/zinc/29/67/26/185296726.db2.gz JNAJQKVHBJYAEQ-BXKDBHETSA-N 2 1 319.268 2.177 10 0 DEAEMP C[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1cc(Br)cs1 ZINC000090438881 185296727 /nfs/dbraw/zinc/29/67/27/185296727.db2.gz JNAJQKVHBJYAEQ-BXKDBHETSA-N 2 1 319.268 2.177 10 0 DEAEMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000220526722 539728120 /nfs/dbraw/zinc/72/81/20/539728120.db2.gz RJTJJZDKBWHOJU-KBPBESRZSA-N 2 1 306.454 2.141 10 0 DEAEMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000220526588 539728178 /nfs/dbraw/zinc/72/81/78/539728178.db2.gz RJTJJZDKBWHOJU-UONOGXRCSA-N 2 1 306.454 2.141 10 0 DEAEMP C[NH2+][C@H](C[C@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149555007 186051178 /nfs/dbraw/zinc/05/11/78/186051178.db2.gz LIIFYOHZVFKSHB-GXFFZTMASA-N 2 1 301.356 2.000 10 0 DEAEMP CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@H]1C[N@@H+](C)CCN1C ZINC000149684724 186052535 /nfs/dbraw/zinc/05/25/35/186052535.db2.gz ASTUJZHLYYNLOS-HOTGVXAUSA-N 2 1 309.885 2.497 10 0 DEAEMP CCC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000236941245 202082956 /nfs/dbraw/zinc/08/29/56/202082956.db2.gz SURFCQUGNYMIQS-MSOLQXFVSA-N 2 1 315.461 2.252 10 0 DEAEMP CCC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000236941245 202082958 /nfs/dbraw/zinc/08/29/58/202082958.db2.gz SURFCQUGNYMIQS-MSOLQXFVSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694001 357346767 /nfs/dbraw/zinc/34/67/67/357346767.db2.gz FYVGVRKSMPYNNH-INIZCTEOSA-N 2 1 320.481 2.120 10 0 DEAEMP CCC[N@@H+](CC(=O)Nc1nc(C)cs1)C1CCC([NH3+])CC1 ZINC000091852537 193117678 /nfs/dbraw/zinc/11/76/78/193117678.db2.gz GYYSAWIKHCROPL-UHFFFAOYSA-N 2 1 310.467 2.372 10 0 DEAEMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000629568890 367254345 /nfs/dbraw/zinc/25/43/45/367254345.db2.gz MEUPQBVPDWUHBA-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000629568890 367254351 /nfs/dbraw/zinc/25/43/51/367254351.db2.gz MEUPQBVPDWUHBA-UHFFFAOYSA-N 2 1 319.218 2.256 10 0 DEAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000629654954 367289511 /nfs/dbraw/zinc/28/95/11/367289511.db2.gz UREJTFIBOTVERJ-UHFFFAOYSA-N 2 1 315.255 2.425 10 0 DEAEMP COC(=O)Cc1cc(NCCC[NH+](C)C)c2ccccc2[nH+]1 ZINC000041473399 183193123 /nfs/dbraw/zinc/19/31/23/183193123.db2.gz CPGWJBCZURKFBF-UHFFFAOYSA-N 2 1 301.390 2.314 10 0 DEAEMP C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000043090418 183335676 /nfs/dbraw/zinc/33/56/76/183335676.db2.gz JYNFPTPLJWRGFL-BXUZGUMPSA-N 2 1 312.255 2.085 10 0 DEAEMP CC[NH2+]Cc1c(N2CC[N@@H+](C)[C@@H](CC)C2)nc2sccn12 ZINC000110730698 194354905 /nfs/dbraw/zinc/35/49/05/194354905.db2.gz RCHCWMOPCNYQTE-LBPRGKRZSA-N 2 1 307.467 2.036 10 0 DEAEMP CC[NH2+][C@@](C)(CCC[N@H+](CC)CCOCC)C(=O)OCC ZINC000111122027 194391912 /nfs/dbraw/zinc/39/19/12/194391912.db2.gz GJVSXOPCTFLJKB-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@@](C)(CCC[N@@H+](CC)CCOCC)C(=O)OCC ZINC000111122027 194391914 /nfs/dbraw/zinc/39/19/14/194391914.db2.gz GJVSXOPCTFLJKB-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000539417129 285076820 /nfs/dbraw/zinc/07/68/20/285076820.db2.gz AMORSSDUNWIMJJ-HNNXBMFYSA-N 2 1 311.857 2.353 10 0 DEAEMP CC(C)C[NH2+]C[C@]1(C[N@H+]2CCSC(C)(C)C2)CCOC1 ZINC000159132039 197330183 /nfs/dbraw/zinc/33/01/83/197330183.db2.gz KCDQHDWYRREMJG-INIZCTEOSA-N 2 1 300.512 2.466 10 0 DEAEMP CC(C)(C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000158280082 197259295 /nfs/dbraw/zinc/25/92/95/197259295.db2.gz RUJCNIOEXHOSIZ-AWEZNQCLSA-N 2 1 309.479 2.156 10 0 DEAEMP Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000156676423 197132135 /nfs/dbraw/zinc/13/21/35/197132135.db2.gz XETNKIHGQJBAIB-CYBMUJFWSA-N 2 1 304.463 2.007 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000156521135 197119896 /nfs/dbraw/zinc/11/98/96/197119896.db2.gz WBOQQHHEQQYYTI-GFCCVEGCSA-N 2 1 312.421 2.277 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000245475261 285236238 /nfs/dbraw/zinc/23/62/38/285236238.db2.gz RTBYDEDWFBIQTL-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245475261 285236240 /nfs/dbraw/zinc/23/62/40/285236240.db2.gz RTBYDEDWFBIQTL-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245475261 285236244 /nfs/dbraw/zinc/23/62/44/285236244.db2.gz RTBYDEDWFBIQTL-BRWVUGGUSA-N 2 1 324.513 2.233 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247249523 145130401 /nfs/dbraw/zinc/13/04/01/145130401.db2.gz NNEVRYHXLLJCHW-NVXWUHKLSA-N 2 1 322.497 2.129 10 0 DEAEMP C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544242 145205987 /nfs/dbraw/zinc/20/59/87/145205987.db2.gz ISAQTBREBDLJFL-FPAYPSAMSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544242 145205989 /nfs/dbraw/zinc/20/59/89/145205989.db2.gz ISAQTBREBDLJFL-FPAYPSAMSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544242 145205990 /nfs/dbraw/zinc/20/59/90/145205990.db2.gz ISAQTBREBDLJFL-FPAYPSAMSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854650 145233672 /nfs/dbraw/zinc/23/36/72/145233672.db2.gz DZWCZLUAAOKALW-BBRMVZONSA-N 2 1 307.413 2.206 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854650 145233673 /nfs/dbraw/zinc/23/36/73/145233673.db2.gz DZWCZLUAAOKALW-BBRMVZONSA-N 2 1 307.413 2.206 10 0 DEAEMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261906988 145240544 /nfs/dbraw/zinc/24/05/44/145240544.db2.gz IKYRTAYYZCVYLF-RBSFLKMASA-N 2 1 309.479 2.049 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922022 145241766 /nfs/dbraw/zinc/24/17/66/145241766.db2.gz IAFGLHVIGCCCRS-KBPBESRZSA-N 2 1 307.413 2.064 10 0 DEAEMP Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1C ZINC000262097142 145261297 /nfs/dbraw/zinc/26/12/97/145261297.db2.gz LVLSKSLDSNPADC-SFHVURJKSA-N 2 1 315.461 2.262 10 0 DEAEMP CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)CC2CC[NH2+]CC2)cc1 ZINC000262116396 145263097 /nfs/dbraw/zinc/26/30/97/145263097.db2.gz BMRDMZZMYYXGEW-OAHLLOKOSA-N 2 1 317.477 2.487 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073654652 401719819 /nfs/dbraw/zinc/71/98/19/401719819.db2.gz KMQFDLIMKLCUAC-HOTGVXAUSA-N 2 1 312.502 2.233 10 0 DEAEMP COc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130866783 401840610 /nfs/dbraw/zinc/84/06/10/401840610.db2.gz KPUIEUGSTNUVID-UHFFFAOYSA-N 2 1 316.405 2.161 10 0 DEAEMP COc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130866783 401840612 /nfs/dbraw/zinc/84/06/12/401840612.db2.gz KPUIEUGSTNUVID-UHFFFAOYSA-N 2 1 316.405 2.161 10 0 DEAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116288999 401848770 /nfs/dbraw/zinc/84/87/70/401848770.db2.gz ZGESURPDEVMVRP-MRXNPFEDSA-N 2 1 319.449 2.406 10 0 DEAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116288999 401848772 /nfs/dbraw/zinc/84/87/72/401848772.db2.gz ZGESURPDEVMVRP-MRXNPFEDSA-N 2 1 319.449 2.406 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)[nH+]1 ZINC000151111159 402017020 /nfs/dbraw/zinc/01/70/20/402017020.db2.gz XQUQOJNQFWHDFW-HOTGVXAUSA-N 2 1 321.465 2.300 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)COC(C)(C)C)C2)[nH+]1 ZINC000151111159 402017022 /nfs/dbraw/zinc/01/70/22/402017022.db2.gz XQUQOJNQFWHDFW-HOTGVXAUSA-N 2 1 321.465 2.300 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000122428163 402077878 /nfs/dbraw/zinc/07/78/78/402077878.db2.gz CJSKBHBCKOTGBL-OTBWCIGPSA-N 2 1 324.513 2.135 10 0 DEAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106905641 402221106 /nfs/dbraw/zinc/22/11/06/402221106.db2.gz WIUKIYKPHOTIGD-WMZOPIPTSA-N 2 1 317.477 2.150 10 0 DEAEMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCOCC2 ZINC000186220447 402411967 /nfs/dbraw/zinc/41/19/67/402411967.db2.gz KGWONEBAEQDKCS-SJORKVTESA-N 2 1 308.466 2.177 10 0 DEAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)n1 ZINC000186975043 402475001 /nfs/dbraw/zinc/47/50/01/402475001.db2.gz IFZITPDGMAJXAP-OAHLLOKOSA-N 2 1 305.466 2.223 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825015 402546324 /nfs/dbraw/zinc/54/63/24/402546324.db2.gz NXEJOYADSBKPSV-LNLFQRSKSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825015 402546327 /nfs/dbraw/zinc/54/63/27/402546327.db2.gz NXEJOYADSBKPSV-LNLFQRSKSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C)c2)[C@@H](C)C1 ZINC000246825015 402546328 /nfs/dbraw/zinc/54/63/28/402546328.db2.gz NXEJOYADSBKPSV-LNLFQRSKSA-N 2 1 320.477 2.397 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246535284 402535508 /nfs/dbraw/zinc/53/55/08/402535508.db2.gz WAFOKBIQKUUCJH-DLBZAZTESA-N 2 1 324.513 2.234 10 0 DEAEMP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246579777 402537100 /nfs/dbraw/zinc/53/71/00/402537100.db2.gz ZSKYIBXCPBFJDN-IRXDYDNUSA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248489736 402593362 /nfs/dbraw/zinc/59/33/62/402593362.db2.gz NCVZOYDRTZXAPJ-BBWFWOEESA-N 2 1 324.513 2.375 10 0 DEAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC000190473349 402603410 /nfs/dbraw/zinc/60/34/10/402603410.db2.gz HNQBJVXCJQHORQ-SFHVURJKSA-N 2 1 303.450 2.262 10 0 DEAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC000190473349 402603414 /nfs/dbraw/zinc/60/34/14/402603414.db2.gz HNQBJVXCJQHORQ-SFHVURJKSA-N 2 1 303.450 2.262 10 0 DEAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000190473349 402603417 /nfs/dbraw/zinc/60/34/17/402603417.db2.gz HNQBJVXCJQHORQ-SFHVURJKSA-N 2 1 303.450 2.262 10 0 DEAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000190473349 402603421 /nfs/dbraw/zinc/60/34/21/402603421.db2.gz HNQBJVXCJQHORQ-SFHVURJKSA-N 2 1 303.450 2.262 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173669357 402707657 /nfs/dbraw/zinc/70/76/57/402707657.db2.gz UFCPMOALFPLLQL-RDJZCZTQSA-N 2 1 324.513 2.231 10 0 DEAEMP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261922148 402719586 /nfs/dbraw/zinc/71/95/86/402719586.db2.gz KONHEEVMZLBMHR-MSQAHXEGSA-N 2 1 307.438 2.142 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174195294 402731080 /nfs/dbraw/zinc/73/10/80/402731080.db2.gz PCZCJBJUAGXXIH-INIZCTEOSA-N 2 1 312.502 2.279 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000309692969 403962283 /nfs/dbraw/zinc/96/22/83/403962283.db2.gz DJTIEQWJMRGRBX-IAGOWNOFSA-N 2 1 317.477 2.403 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323581683 404092707 /nfs/dbraw/zinc/09/27/07/404092707.db2.gz ZCGVUNLSMMWWRT-QGZVFWFLSA-N 2 1 303.450 2.094 10 0 DEAEMP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588254 404116097 /nfs/dbraw/zinc/11/60/97/404116097.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 2 1 300.450 2.267 10 0 DEAEMP c1ncn(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)n1 ZINC000369542455 404134872 /nfs/dbraw/zinc/13/48/72/404134872.db2.gz TYNNFZFYENZGIT-UHFFFAOYSA-N 2 1 311.433 2.374 10 0 DEAEMP CC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468118 404828841 /nfs/dbraw/zinc/82/88/41/404828841.db2.gz UFNSNAQLMOTEJD-VQIMIIECSA-N 2 1 317.477 2.403 10 0 DEAEMP [NH3+]CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379653950 405028120 /nfs/dbraw/zinc/02/81/20/405028120.db2.gz HFHZUYHJYMKNAM-KRWDZBQOSA-N 2 1 303.450 2.286 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396358774 405056876 /nfs/dbraw/zinc/05/68/76/405056876.db2.gz IDOATYQVOPAMJR-NVXWUHKLSA-N 2 1 303.450 2.093 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396358774 405056880 /nfs/dbraw/zinc/05/68/80/405056880.db2.gz IDOATYQVOPAMJR-NVXWUHKLSA-N 2 1 303.450 2.093 10 0 DEAEMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000638002700 406518147 /nfs/dbraw/zinc/51/81/47/406518147.db2.gz KPOHKYZKWSZYRO-UHFFFAOYSA-N 2 1 315.461 2.381 10 0 DEAEMP C[C@H](CCNC(=O)C1=CC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000638133772 406588295 /nfs/dbraw/zinc/58/82/95/406588295.db2.gz XVBSHEXAMFFQDZ-PBHICJAKSA-N 2 1 301.434 2.061 10 0 DEAEMP 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/nfs/dbraw/zinc/05/19/43/524051943.db2.gz MELPZHQTGGRJED-KRWDZBQOSA-N 2 1 324.513 2.378 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000246486414 524612934 /nfs/dbraw/zinc/61/29/34/524612934.db2.gz OYWZQCFURGNVJC-XAJHFOFHSA-N 2 1 307.482 2.144 10 0 DEAEMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360154600 535048165 /nfs/dbraw/zinc/04/81/65/535048165.db2.gz TXLREYPBNJGOKG-FUHWJXTLSA-N 2 1 317.477 2.403 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000246718089 535449723 /nfs/dbraw/zinc/44/97/23/535449723.db2.gz ABARQJLBKWJTRM-WBVHZDCISA-N 2 1 324.513 2.136 10 0 DEAEMP C[C@]1(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033359 637057886 /nfs/dbraw/zinc/05/78/86/637057886.db2.gz OGGWFLLRUZPKRC-YJBOKZPZSA-N 3 1 302.466 2.398 10 0 DEAEMP C[C@]1(CN2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]C1 ZINC000262033359 637057892 /nfs/dbraw/zinc/05/78/92/637057892.db2.gz OGGWFLLRUZPKRC-YJBOKZPZSA-N 2 1 302.466 2.398 10 0 DEAEMP O=C1OCCN1CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686701 639284930 /nfs/dbraw/zinc/28/49/30/639284930.db2.gz WMXUMIMRZAIUFJ-QGZVFWFLSA-N 2 1 323.481 2.417 10 0 DEAEMP O=C1OCCN1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686701 639284937 /nfs/dbraw/zinc/28/49/37/639284937.db2.gz WMXUMIMRZAIUFJ-QGZVFWFLSA-N 2 1 323.481 2.417 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382722015 685405395 /nfs/dbraw/zinc/40/53/95/685405395.db2.gz NZHSICNSBGTJLO-AOIWGVFYSA-N 2 1 301.478 2.438 10 0 DEAEMP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000724627711 787352074 /nfs/dbraw/zinc/35/20/74/787352074.db2.gz JQIQOHZSTBSPNF-NEWSRXKRSA-N 2 1 316.445 2.045 10 0 DEAEMP C[S@@](=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681747 793000960 /nfs/dbraw/zinc/00/09/60/793000960.db2.gz ZACDEFDZIVPLNM-RQXXJAGISA-N 2 1 320.502 2.398 10 0 DEAEMP COCC(COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712019 793002869 /nfs/dbraw/zinc/00/28/69/793002869.db2.gz JAGLOVTWRAMDIH-LNLFQRSKSA-N 2 1 318.461 2.291 10 0 DEAEMP C[N@@H+](Cc1ccccc1)[C@H](CNC1=[NH+]CCCCN1)C1CC1 ZINC000717998292 1081857088 /nfs/dbraw/zinc/85/70/88/1081857088.db2.gz HMNFTTIVVKZEEH-QGZVFWFLSA-N 2 1 300.450 2.226 10 0 DEAEMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711440671 1087112606 /nfs/dbraw/zinc/11/26/06/1087112606.db2.gz UTORJFFKSFANJJ-SOUVJXGZSA-N 2 1 311.470 2.221 10 0 DEAEMP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000720249101 1089538530 /nfs/dbraw/zinc/53/85/30/1089538530.db2.gz KPNFCMVULAVUFF-UWVGGRQHSA-N 2 1 302.287 2.375 10 0 DEAEMP Cc1ncc2c(c1-c1noc([C@H]3CCCC[N@H+]3C)n1)CC[NH2+]C2 ZINC000020535759 282168527 /nfs/dbraw/zinc/16/85/27/282168527.db2.gz STDKMBGNCQERCD-CQSZACIVSA-N 2 1 313.405 2.243 10 0 DEAEMP Cc1ncc2c(c1-c1noc([C@H]3CCCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000020535759 282168534 /nfs/dbraw/zinc/16/85/34/282168534.db2.gz STDKMBGNCQERCD-CQSZACIVSA-N 2 1 313.405 2.243 10 0 DEAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(c2nc(C(C)C)ns2)CC1 ZINC000087639636 185229885 /nfs/dbraw/zinc/22/98/85/185229885.db2.gz YPNYXFZZHNMZQC-CYBMUJFWSA-N 2 1 311.499 2.301 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC000246837124 282214665 /nfs/dbraw/zinc/21/46/65/282214665.db2.gz BLOGNWTZFMIPJV-ZBFHGGJFSA-N 2 1 304.438 2.057 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1C ZINC000246837124 282214666 /nfs/dbraw/zinc/21/46/66/282214666.db2.gz BLOGNWTZFMIPJV-ZBFHGGJFSA-N 2 1 304.438 2.057 10 0 DEAEMP C[NH2+][C@@H](Cc1c(C)nn(C)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000167344610 197706840 /nfs/dbraw/zinc/70/68/40/197706840.db2.gz QVZFAHTZBIFYEM-FLTXBFBQSA-N 2 1 310.873 2.385 10 0 DEAEMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000195125215 282369380 /nfs/dbraw/zinc/36/93/80/282369380.db2.gz FOSBUVPCQXQHNS-DLBZAZTESA-N 2 1 324.513 2.280 10 0 DEAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)c1ccc(Br)cn1 ZINC000140201744 186026009 /nfs/dbraw/zinc/02/60/09/186026009.db2.gz UZZKRLXANABLGY-GFCCVEGCSA-N 2 1 307.195 2.325 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)n2)CC1 ZINC000173682339 198240049 /nfs/dbraw/zinc/24/00/49/198240049.db2.gz NLGCSTHPTPXAEU-ZDUSSCGKSA-N 2 1 311.857 2.260 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(OC)c2)[C@H](C)C1 ZINC000174775328 198383199 /nfs/dbraw/zinc/38/31/99/198383199.db2.gz AVDKHRUMLQZBEC-PBHICJAKSA-N 2 1 319.449 2.296 10 0 DEAEMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243150 354705469 /nfs/dbraw/zinc/70/54/69/354705469.db2.gz YISBPUYZCQHKDF-HNNXBMFYSA-N 2 1 300.450 2.357 10 0 DEAEMP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3CO)CC2)c(C)c1 ZINC000169782040 355983115 /nfs/dbraw/zinc/98/31/15/355983115.db2.gz MMNXJAMUFWFBHY-SFHVURJKSA-N 2 1 302.462 2.440 10 0 DEAEMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474203 283157535 /nfs/dbraw/zinc/15/75/35/283157535.db2.gz ZCROUABMQZYINY-RWQQGDIJSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474203 283157540 /nfs/dbraw/zinc/15/75/40/283157540.db2.gz ZCROUABMQZYINY-RWQQGDIJSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474203 283157544 /nfs/dbraw/zinc/15/75/44/283157544.db2.gz ZCROUABMQZYINY-RWQQGDIJSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400474203 283157547 /nfs/dbraw/zinc/15/75/47/283157547.db2.gz ZCROUABMQZYINY-RWQQGDIJSA-N 3 1 301.478 2.485 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000180132091 199120937 /nfs/dbraw/zinc/12/09/37/199120937.db2.gz RWNDOIKCWCAFNB-CYBMUJFWSA-N 2 1 304.419 2.017 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000180132091 199120939 /nfs/dbraw/zinc/12/09/39/199120939.db2.gz RWNDOIKCWCAFNB-CYBMUJFWSA-N 2 1 304.419 2.017 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000180132073 199121599 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DEAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000190473370 402603592 /nfs/dbraw/zinc/60/35/92/402603592.db2.gz HNQBJVXCJQHORQ-GOSISDBHSA-N 2 1 303.450 2.262 10 0 DEAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000190473370 402603593 /nfs/dbraw/zinc/60/35/93/402603593.db2.gz HNQBJVXCJQHORQ-GOSISDBHSA-N 2 1 303.450 2.262 10 0 DEAEMP C[C@@H](CCNC(=O)N1CCC[N@H+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000182696067 402709298 /nfs/dbraw/zinc/70/92/98/402709298.db2.gz CYCHJTRWWKSWNK-INIZCTEOSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@H]1C[N@H+](Cc2cccc(CNCc3cocn3)c2)CCO1 ZINC000192296017 402721594 /nfs/dbraw/zinc/72/15/94/402721594.db2.gz QLMTVQWOZKEJJA-AWEZNQCLSA-N 2 1 301.390 2.185 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2cccc(CNCc3cocn3)c2)CCO1 ZINC000192296017 402721597 /nfs/dbraw/zinc/72/15/97/402721597.db2.gz QLMTVQWOZKEJJA-AWEZNQCLSA-N 2 1 301.390 2.185 10 0 DEAEMP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000173328289 402692693 /nfs/dbraw/zinc/69/26/93/402692693.db2.gz SZLUGOCZOITGJV-CVEARBPZSA-N 2 1 312.502 2.229 10 0 DEAEMP CC(C)[NH+](CCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)C(C)C ZINC000174358763 402737739 /nfs/dbraw/zinc/73/77/39/402737739.db2.gz NUWBNBZRKQGMCQ-DLBZAZTESA-N 2 1 324.513 2.373 10 0 DEAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000263253203 402750733 /nfs/dbraw/zinc/75/07/33/402750733.db2.gz KAWBSNKVGXCYBZ-TWMKSMIVSA-N 2 1 307.482 2.144 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2)[C@H](C)C1 ZINC000175729473 402827172 /nfs/dbraw/zinc/82/71/72/402827172.db2.gz UWOWUIGMUBLCNG-RYRKJORJSA-N 2 1 306.450 2.088 10 0 DEAEMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328650287 404125635 /nfs/dbraw/zinc/12/56/35/404125635.db2.gz VNTJOEHWLFWHQB-BBRMVZONSA-N 2 1 303.381 2.250 10 0 DEAEMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328650287 404125636 /nfs/dbraw/zinc/12/56/36/404125636.db2.gz VNTJOEHWLFWHQB-BBRMVZONSA-N 2 1 303.381 2.250 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382719122 405031838 /nfs/dbraw/zinc/03/18/38/405031838.db2.gz JZYFDELTGKZCRU-QFBILLFUSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060819 405696612 /nfs/dbraw/zinc/69/66/12/405696612.db2.gz JBKMMODPVROYLZ-KFKAGJAMSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060819 405696621 /nfs/dbraw/zinc/69/66/21/405696621.db2.gz JBKMMODPVROYLZ-KFKAGJAMSA-N 2 1 301.478 2.485 10 0 DEAEMP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851509 405713529 /nfs/dbraw/zinc/71/35/29/405713529.db2.gz NHNFTPHXOCRCSN-DOTOQJQBSA-N 2 1 303.450 2.155 10 0 DEAEMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000640018269 406357043 /nfs/dbraw/zinc/35/70/43/406357043.db2.gz SFXQJUSJKJAYJD-GOSISDBHSA-N 2 1 320.477 2.370 10 0 DEAEMP [NH3+][C@H](CC[NH+]1CCC(OCCO)CC1)c1ccc(Cl)cc1 ZINC000129390120 196043617 /nfs/dbraw/zinc/04/36/17/196043617.db2.gz XZEKUORGELZJJL-MRXNPFEDSA-N 2 1 312.841 2.203 10 0 DEAEMP C[NH+](C)C[C@@H](NC(=O)[C@H]([NH3+])c1cccs1)c1ccccc1 ZINC000130564826 196091413 /nfs/dbraw/zinc/09/14/13/196091413.db2.gz UJEZUSXTBUCONO-UKRRQHHQSA-N 2 1 303.431 2.167 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132166608 196232069 /nfs/dbraw/zinc/23/20/69/196232069.db2.gz TZGOQEDSCGSBIJ-DOTOQJQBSA-N 2 1 324.513 2.279 10 0 DEAEMP CCn1cncc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417970104 229165862 /nfs/dbraw/zinc/16/58/62/229165862.db2.gz QHQSJESPGDDNAR-UHFFFAOYSA-N 2 1 314.437 2.068 10 0 DEAEMP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381724867 424908677 /nfs/dbraw/zinc/90/86/77/424908677.db2.gz JHQVAUBZUWWOEX-ZWKOTPCHSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388680654 424914484 /nfs/dbraw/zinc/91/44/84/424914484.db2.gz VLHLGCXZUFCPPX-ZWKOTPCHSA-N 2 1 317.477 2.483 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972222 424916342 /nfs/dbraw/zinc/91/63/42/424916342.db2.gz CNKJLCPFIUTHKY-LTDKPHRXSA-N 2 1 315.461 2.141 10 0 DEAEMP CN(C(=O)C1(C[NH3+])CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390798867 424917819 /nfs/dbraw/zinc/91/78/19/424917819.db2.gz MMFOGPGJUIRHAF-QGZVFWFLSA-N 2 1 315.461 2.238 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453400395 274355176 /nfs/dbraw/zinc/35/51/76/274355176.db2.gz MAESMQUNGPNMOH-HHXXYDBFSA-N 2 1 315.461 2.155 10 0 DEAEMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105166835 277149956 /nfs/dbraw/zinc/14/99/56/277149956.db2.gz MFRPKIVDNINQDD-INIZCTEOSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826745 279281513 /nfs/dbraw/zinc/28/15/13/279281513.db2.gz IWETUZZISRCTLA-HOTGVXAUSA-N 2 1 312.502 2.136 10 0 DEAEMP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262643029 280113854 /nfs/dbraw/zinc/11/38/54/280113854.db2.gz LVTMSQDBDHWQQK-NJAFHUGGSA-N 2 1 319.493 2.384 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCC(C)C)C2)[nH+]1 ZINC000249891750 281246955 /nfs/dbraw/zinc/24/69/55/281246955.db2.gz QPNNKEXYTSZWRO-HZPDHXFCSA-N 2 1 318.465 2.285 10 0 DEAEMP COc1ccccc1[C@@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261836644 295394061 /nfs/dbraw/zinc/39/40/61/295394061.db2.gz UDEMQCWQYLXAMM-KRWDZBQOSA-N 2 1 303.450 2.031 10 0 DEAEMP COc1ccccc1[C@@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261836644 295394062 /nfs/dbraw/zinc/39/40/62/295394062.db2.gz UDEMQCWQYLXAMM-KRWDZBQOSA-N 2 1 303.450 2.031 10 0 DEAEMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(C)(C)C ZINC000246877152 535921725 /nfs/dbraw/zinc/92/17/25/535921725.db2.gz FWKBSABWECXPGB-JKSUJKDBSA-N 2 1 324.513 2.233 10 0 DEAEMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098735 635545266 /nfs/dbraw/zinc/54/52/66/635545266.db2.gz LYLSHRRPEYZAMD-JVNHZCFISA-N 2 1 306.450 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/nfs/dbraw/zinc/39/06/40/282390640.db2.gz VEHLDXMZZLXKQQ-ZWKOTPCHSA-N 2 1 315.461 2.252 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684986 539877946 /nfs/dbraw/zinc/87/79/46/539877946.db2.gz BJLSUBUAPPPMGB-RYQLBKOJSA-N 2 1 317.477 2.387 10 0 DEAEMP Cc1nc(C)c(Br)c(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000322792477 539903611 /nfs/dbraw/zinc/90/36/11/539903611.db2.gz AABCFISEJOACHT-NSHDSACASA-N 2 1 311.227 2.140 10 0 DEAEMP CC[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000262665952 356343678 /nfs/dbraw/zinc/34/36/78/356343678.db2.gz JTABYAWCOOKKKW-RYQLBKOJSA-N 2 1 315.461 2.067 10 0 DEAEMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474197 283157187 /nfs/dbraw/zinc/15/71/87/283157187.db2.gz ZCROUABMQZYINY-FPAYPSAMSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474197 283157194 /nfs/dbraw/zinc/15/71/94/283157194.db2.gz ZCROUABMQZYINY-FPAYPSAMSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474197 283157198 /nfs/dbraw/zinc/15/71/98/283157198.db2.gz ZCROUABMQZYINY-FPAYPSAMSA-N 3 1 301.478 2.485 10 0 DEAEMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400474197 283157201 /nfs/dbraw/zinc/15/72/01/283157201.db2.gz ZCROUABMQZYINY-FPAYPSAMSA-N 3 1 301.478 2.485 10 0 DEAEMP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000578247191 356787061 /nfs/dbraw/zinc/78/70/61/356787061.db2.gz NZMFJKBJLJHLAX-GOSISDBHSA-N 2 1 304.434 2.430 10 0 DEAEMP C[C@@H]([NH3+])CC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000261877566 296016733 /nfs/dbraw/zinc/01/67/33/296016733.db2.gz SMBOTDHHUAIQCL-PBHICJAKSA-N 2 1 317.477 2.313 10 0 DEAEMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091844803 193117379 /nfs/dbraw/zinc/11/73/79/193117379.db2.gz ZTHUOGANPLKKID-GRTSSRMGSA-N 2 1 310.463 2.353 10 0 DEAEMP COCC[NH2+]C[C@@]1(C[N@@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982812 193191421 /nfs/dbraw/zinc/19/14/21/193191421.db2.gz NUFUXCGOXWORCI-NVXWUHKLSA-N 2 1 300.487 2.122 10 0 DEAEMP CN(c1nc(C(F)(F)F)ccc1C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000094334264 193360468 /nfs/dbraw/zinc/36/04/68/193360468.db2.gz PYYUTBCGMVBIOV-NSHDSACASA-N 2 1 302.344 2.090 10 0 DEAEMP CC(C)[N@@H+](C)CCCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635752 193386498 /nfs/dbraw/zinc/38/64/98/193386498.db2.gz NSXKJSYDRMDLGX-CABCVRRESA-N 2 1 304.500 2.052 10 0 DEAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384691 193367792 /nfs/dbraw/zinc/36/77/92/193367792.db2.gz PXKVFXYKYOSCFZ-RRFJBIMHSA-N 2 1 310.507 2.361 10 0 DEAEMP CC[NH2+][C@H]1[C@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429310 193368882 /nfs/dbraw/zinc/36/88/82/193368882.db2.gz GZKJEUZPRHVULS-GJZGRUSLSA-N 2 1 300.487 2.261 10 0 DEAEMP CNC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383339 245103828 /nfs/dbraw/zinc/10/38/28/245103828.db2.gz SMFNWWREVXMGTH-DDBAPUKQSA-N 2 1 315.461 2.296 10 0 DEAEMP CC(C)[C@H](c1cccs1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178221 184276682 /nfs/dbraw/zinc/27/66/82/184276682.db2.gz KOOUXYNLNHYENX-DZGCQCFKSA-N 2 1 309.479 2.232 10 0 DEAEMP Cc1c[nH]c(C[N@@H+](C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)n1 ZINC000065454772 184347810 /nfs/dbraw/zinc/34/78/10/184347810.db2.gz YKEAONLRJHRFOL-UHFFFAOYSA-N 2 1 313.449 2.175 10 0 DEAEMP Cc1c[nH]c(C[N@H+](C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)n1 ZINC000065454772 184347811 /nfs/dbraw/zinc/34/78/11/184347811.db2.gz YKEAONLRJHRFOL-UHFFFAOYSA-N 2 1 313.449 2.175 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000119925818 195063738 /nfs/dbraw/zinc/06/37/38/195063738.db2.gz VJOKCVRAONPSSX-HZSPNIEDSA-N 2 1 308.857 2.386 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000119925818 195063740 /nfs/dbraw/zinc/06/37/40/195063740.db2.gz VJOKCVRAONPSSX-HZSPNIEDSA-N 2 1 308.857 2.386 10 0 DEAEMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCCC4)[C@@H]3C2)cn1 ZINC000248156208 257107891 /nfs/dbraw/zinc/10/78/91/257107891.db2.gz VSJDEDXTDSDGMT-SQNIBIBYSA-N 2 1 302.466 2.364 10 0 DEAEMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000248137136 257108394 /nfs/dbraw/zinc/10/83/94/257108394.db2.gz PCUDKRWZXQFNDP-DLBZAZTESA-N 2 1 314.433 2.275 10 0 DEAEMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000248137136 257108396 /nfs/dbraw/zinc/10/83/96/257108396.db2.gz PCUDKRWZXQFNDP-DLBZAZTESA-N 2 1 314.433 2.275 10 0 DEAEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000248137136 257108397 /nfs/dbraw/zinc/10/83/97/257108397.db2.gz PCUDKRWZXQFNDP-DLBZAZTESA-N 2 1 314.433 2.275 10 0 DEAEMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)o1 ZINC000248137136 257108398 /nfs/dbraw/zinc/10/83/98/257108398.db2.gz PCUDKRWZXQFNDP-DLBZAZTESA-N 2 1 314.433 2.275 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000358182434 133126818 /nfs/dbraw/zinc/12/68/18/133126818.db2.gz DCKPNAZGJGRUEI-IRXDYDNUSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358182434 133126819 /nfs/dbraw/zinc/12/68/19/133126819.db2.gz DCKPNAZGJGRUEI-IRXDYDNUSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358182434 133126820 /nfs/dbraw/zinc/12/68/20/133126820.db2.gz DCKPNAZGJGRUEI-IRXDYDNUSA-N 2 1 322.497 2.058 10 0 DEAEMP c1c2cccnc2oc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000564041499 292083847 /nfs/dbraw/zinc/08/38/47/292083847.db2.gz BJJFMKFFZPAWBL-CQSZACIVSA-N 2 1 315.417 2.418 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)[C@@H](C)C1 ZINC000246549824 145106226 /nfs/dbraw/zinc/10/62/26/145106226.db2.gz WLGNDVSXGXYKLZ-ZNMIVQPWSA-N 2 1 305.470 2.036 10 0 DEAEMP COc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246568919 145106693 /nfs/dbraw/zinc/10/66/93/145106693.db2.gz FJTOXPJCSKGYLQ-CRAIPNDOSA-N 2 1 304.434 2.490 10 0 DEAEMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246568919 145106695 /nfs/dbraw/zinc/10/66/95/145106695.db2.gz FJTOXPJCSKGYLQ-CRAIPNDOSA-N 2 1 304.434 2.490 10 0 DEAEMP COc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246568919 145106697 /nfs/dbraw/zinc/10/66/97/145106697.db2.gz FJTOXPJCSKGYLQ-CRAIPNDOSA-N 2 1 304.434 2.490 10 0 DEAEMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256646 145130894 /nfs/dbraw/zinc/13/08/94/145130894.db2.gz UZAGUURRJDMCHJ-WMZOPIPTSA-N 2 1 317.477 2.498 10 0 DEAEMP COC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247563754 145141586 /nfs/dbraw/zinc/14/15/86/145141586.db2.gz RBKBBVWGKBPLFT-VQIMIIECSA-N 2 1 320.477 2.399 10 0 DEAEMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054450 145147763 /nfs/dbraw/zinc/14/77/63/145147763.db2.gz WZVLEHGRRVTXBM-CSMYWGQOSA-N 2 1 310.388 2.414 10 0 DEAEMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054450 145147765 /nfs/dbraw/zinc/14/77/65/145147765.db2.gz WZVLEHGRRVTXBM-CSMYWGQOSA-N 2 1 310.388 2.414 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054450 145147767 /nfs/dbraw/zinc/14/77/67/145147767.db2.gz WZVLEHGRRVTXBM-CSMYWGQOSA-N 2 1 310.388 2.414 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248054450 145147768 /nfs/dbraw/zinc/14/77/68/145147768.db2.gz WZVLEHGRRVTXBM-CSMYWGQOSA-N 2 1 310.388 2.414 10 0 DEAEMP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000248849487 145169928 /nfs/dbraw/zinc/16/99/28/145169928.db2.gz PTNYFNCCCGWDBZ-XHSDSOJGSA-N 2 1 305.422 2.245 10 0 DEAEMP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCCn1cc[nH+]c1C ZINC000248849487 145169929 /nfs/dbraw/zinc/16/99/29/145169929.db2.gz PTNYFNCCCGWDBZ-XHSDSOJGSA-N 2 1 305.422 2.245 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@H](C)C(C)C)C2)[nH+]1 ZINC000249884063 145191055 /nfs/dbraw/zinc/19/10/55/145191055.db2.gz OKPHYCQVBYOKCX-CVEARBPZSA-N 2 1 318.465 2.285 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261556517 145207628 /nfs/dbraw/zinc/20/76/28/145207628.db2.gz VZRYYMGUALNYND-WBVHZDCISA-N 2 1 303.450 2.094 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261556517 145207631 /nfs/dbraw/zinc/20/76/31/145207631.db2.gz VZRYYMGUALNYND-WBVHZDCISA-N 2 1 303.450 2.094 10 0 DEAEMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1C ZINC000261862350 145235083 /nfs/dbraw/zinc/23/50/83/145235083.db2.gz CEZQWFSUALGPBL-BBWFWOEESA-N 2 1 304.434 2.250 10 0 DEAEMP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261913325 145241324 /nfs/dbraw/zinc/24/13/24/145241324.db2.gz JISHNFZNFIUQAL-QXAKKESOSA-N 2 1 313.445 2.457 10 0 DEAEMP c1ccc2c(c1)CC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262043418 145256376 /nfs/dbraw/zinc/25/63/76/145256376.db2.gz YTQBGYDSKSHALC-LULLPPNCSA-N 2 1 300.446 2.463 10 0 DEAEMP Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)cc1C ZINC000262097139 145261769 /nfs/dbraw/zinc/26/17/69/145261769.db2.gz LVLSKSLDSNPADC-GOSISDBHSA-N 2 1 315.461 2.262 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262364040 145279479 /nfs/dbraw/zinc/27/94/79/145279479.db2.gz JAZJEICMOPDLGT-FZKCQIBNSA-N 2 1 309.498 2.247 10 0 DEAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000112697833 401754331 /nfs/dbraw/zinc/75/43/31/401754331.db2.gz WPHJUIWPDKJROY-QGZVFWFLSA-N 2 1 311.514 2.149 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000113599449 401783255 /nfs/dbraw/zinc/78/32/55/401783255.db2.gz BRTIDGKNTZSVPK-GOEBONIOSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461589 401873337 /nfs/dbraw/zinc/87/33/37/401873337.db2.gz MADGXEIVEGNKEL-RHSMWYFYSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461589 401873338 /nfs/dbraw/zinc/87/33/38/401873338.db2.gz MADGXEIVEGNKEL-RHSMWYFYSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461589 401873339 /nfs/dbraw/zinc/87/33/39/401873339.db2.gz MADGXEIVEGNKEL-RHSMWYFYSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[C@]1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCC[NH2+]1 ZINC000134620396 401909192 /nfs/dbraw/zinc/90/91/92/401909192.db2.gz ZNSLIEDPVONTMH-GOSISDBHSA-N 2 1 316.449 2.007 10 0 DEAEMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004137 401978875 /nfs/dbraw/zinc/97/88/75/401978875.db2.gz IERSOGABEUNHDC-INIZCTEOSA-N 2 1 320.481 2.323 10 0 DEAEMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004137 401978877 /nfs/dbraw/zinc/97/88/77/401978877.db2.gz IERSOGABEUNHDC-INIZCTEOSA-N 2 1 320.481 2.323 10 0 DEAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000093142382 402012139 /nfs/dbraw/zinc/01/21/39/402012139.db2.gz BUICGMUXPLBTBP-UHFFFAOYSA-N 2 1 321.490 2.124 10 0 DEAEMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063756114 402114676 /nfs/dbraw/zinc/11/46/76/402114676.db2.gz JTTICQOJHIECNW-UHFFFAOYSA-N 2 1 303.450 2.240 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000123265658 402118653 /nfs/dbraw/zinc/11/86/53/402118653.db2.gz OGICMNJKIHYKKL-WBVHZDCISA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000123265658 402118656 /nfs/dbraw/zinc/11/86/56/402118656.db2.gz OGICMNJKIHYKKL-WBVHZDCISA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000123265658 402118659 /nfs/dbraw/zinc/11/86/59/402118659.db2.gz OGICMNJKIHYKKL-WBVHZDCISA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000123265658 402118662 /nfs/dbraw/zinc/11/86/62/402118662.db2.gz OGICMNJKIHYKKL-WBVHZDCISA-N 2 1 303.450 2.060 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125237495 402221059 /nfs/dbraw/zinc/22/10/59/402221059.db2.gz MPTDJFHBRJLKKW-OFLPRAFFSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000154841965 402235616 /nfs/dbraw/zinc/23/56/16/402235616.db2.gz KRGZTAWFVDPKHH-MJGOQNOKSA-N 2 1 317.477 2.498 10 0 DEAEMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580748 402278993 /nfs/dbraw/zinc/27/89/93/402278993.db2.gz GERXJYDOUAHZCZ-MRXNPFEDSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000177012665 402359264 /nfs/dbraw/zinc/35/92/64/402359264.db2.gz YYQDKNDOGYZFHE-QGZVFWFLSA-N 2 1 303.450 2.305 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236913486 402388195 /nfs/dbraw/zinc/38/81/95/402388195.db2.gz AFFXPNUJFXILTI-RRFJBIMHSA-N 2 1 309.841 2.329 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236913486 402388196 /nfs/dbraw/zinc/38/81/96/402388196.db2.gz AFFXPNUJFXILTI-RRFJBIMHSA-N 2 1 309.841 2.329 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000177222560 402382773 /nfs/dbraw/zinc/38/27/73/402382773.db2.gz LTOSSVRDPHXDHS-RDJZCZTQSA-N 2 1 318.465 2.447 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000245482418 402464613 /nfs/dbraw/zinc/46/46/13/402464613.db2.gz ZHGWEIBGFARXDE-IRXDYDNUSA-N 2 1 324.513 2.233 10 0 DEAEMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000178299788 402481723 /nfs/dbraw/zinc/48/17/23/402481723.db2.gz MWCXPHLEPCZOJT-ZDUSSCGKSA-N 2 1 303.362 2.236 10 0 DEAEMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000178299788 402481726 /nfs/dbraw/zinc/48/17/26/402481726.db2.gz MWCXPHLEPCZOJT-ZDUSSCGKSA-N 2 1 303.362 2.236 10 0 DEAEMP COC[C@H](C)C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000187657170 402507174 /nfs/dbraw/zinc/50/71/74/402507174.db2.gz KACWKEUITYYZRW-IEBWSBKVSA-N 2 1 319.493 2.237 10 0 DEAEMP CCOC(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171037707 402551379 /nfs/dbraw/zinc/55/13/79/402551379.db2.gz SDPUJASKBREXRQ-HNNXBMFYSA-N 2 1 305.422 2.467 10 0 DEAEMP CCOC(=O)CCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171037707 402551385 /nfs/dbraw/zinc/55/13/85/402551385.db2.gz SDPUJASKBREXRQ-HNNXBMFYSA-N 2 1 305.422 2.467 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000246988358 402552038 /nfs/dbraw/zinc/55/20/38/402552038.db2.gz GLXZCJPVNLARBO-IXDOHACOSA-N 2 1 324.513 2.136 10 0 DEAEMP CCC[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1)[NH+](C)C ZINC000179110077 402573670 /nfs/dbraw/zinc/57/36/70/402573670.db2.gz JLGBSVQBZVVQAP-LSDHHAIUSA-N 2 1 306.454 2.339 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCNC1=O ZINC000246518985 402534770 /nfs/dbraw/zinc/53/47/70/402534770.db2.gz RCYYRSBMRXGORH-PBHICJAKSA-N 2 1 301.434 2.039 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2F)CC1 ZINC000171589070 402598477 /nfs/dbraw/zinc/59/84/77/402598477.db2.gz YYWQQIQDCJMRMH-CYBMUJFWSA-N 2 1 312.404 2.489 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C12CCOCC2 ZINC000249060714 402618889 /nfs/dbraw/zinc/61/88/89/402618889.db2.gz YLJMOLBRIIAEDN-LTIDMASMSA-N 2 1 310.482 2.281 10 0 DEAEMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261805682 402717742 /nfs/dbraw/zinc/71/77/42/402717742.db2.gz HIATWQWKUNETJQ-IRXDYDNUSA-N 2 1 308.466 2.430 10 0 DEAEMP C1CCC([NH+]2CCC(N[C@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000261841639 402718258 /nfs/dbraw/zinc/71/82/58/402718258.db2.gz ALSGZBGVWISSNO-QYZOEREBSA-N 2 1 321.509 2.140 10 0 DEAEMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182199567 402671560 /nfs/dbraw/zinc/67/15/60/402671560.db2.gz GBYFRBRWFRGCMA-HIFRSBDPSA-N 2 1 310.463 2.225 10 0 DEAEMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182199567 402671561 /nfs/dbraw/zinc/67/15/61/402671561.db2.gz GBYFRBRWFRGCMA-HIFRSBDPSA-N 2 1 310.463 2.225 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213545 402672780 /nfs/dbraw/zinc/67/27/80/402672780.db2.gz XEKFLBLKRPFXGT-CABCVRRESA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000182213545 402672782 /nfs/dbraw/zinc/67/27/82/402672782.db2.gz XEKFLBLKRPFXGT-CABCVRRESA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182213545 402672785 /nfs/dbraw/zinc/67/27/85/402672785.db2.gz XEKFLBLKRPFXGT-CABCVRRESA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182213545 402672788 /nfs/dbraw/zinc/67/27/88/402672788.db2.gz XEKFLBLKRPFXGT-CABCVRRESA-N 2 1 320.433 2.267 10 0 DEAEMP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191784289 402692048 /nfs/dbraw/zinc/69/20/48/402692048.db2.gz VFOLNZPBWQHZCT-MRXNPFEDSA-N 2 1 305.470 2.109 10 0 DEAEMP CC(=O)N1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000191859669 402695859 /nfs/dbraw/zinc/69/58/59/402695859.db2.gz OGXRHUNPFVGZTA-UHFFFAOYSA-N 2 1 312.417 2.235 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1C ZINC000174164098 402729625 /nfs/dbraw/zinc/72/96/25/402729625.db2.gz GTLVTKAHVFDSOB-HOCLYGCPSA-N 2 1 324.513 2.373 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192482530 402731930 /nfs/dbraw/zinc/73/19/30/402731930.db2.gz SQFUJRRITVIBRG-ZDUSSCGKSA-N 2 1 305.447 2.031 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C ZINC000174303062 402735694 /nfs/dbraw/zinc/73/56/94/402735694.db2.gz BMUWAMUZFCESFJ-HNNXBMFYSA-N 2 1 312.502 2.090 10 0 DEAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183388625 402762772 /nfs/dbraw/zinc/76/27/72/402762772.db2.gz PZWDFYDEAWJQEM-HNNXBMFYSA-N 2 1 318.465 2.390 10 0 DEAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000195049493 402828869 /nfs/dbraw/zinc/82/88/69/402828869.db2.gz YHHCLRIYWKTISU-SJORKVTESA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000195049493 402828872 /nfs/dbraw/zinc/82/88/72/402828872.db2.gz YHHCLRIYWKTISU-SJORKVTESA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000195049493 402828875 /nfs/dbraw/zinc/82/88/75/402828875.db2.gz YHHCLRIYWKTISU-SJORKVTESA-N 2 1 324.513 2.280 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000194148419 402785698 /nfs/dbraw/zinc/78/56/98/402785698.db2.gz AJMXIMNFPBYHDT-IRXDYDNUSA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000194148419 402785699 /nfs/dbraw/zinc/78/56/99/402785699.db2.gz AJMXIMNFPBYHDT-IRXDYDNUSA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000194148419 402785700 /nfs/dbraw/zinc/78/57/00/402785700.db2.gz AJMXIMNFPBYHDT-IRXDYDNUSA-N 2 1 324.513 2.282 10 0 DEAEMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333549401 403778379 /nfs/dbraw/zinc/77/83/79/403778379.db2.gz KBUFDSMGEUKCSS-NVXWUHKLSA-N 2 1 322.497 2.225 10 0 DEAEMP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309768054 403963115 /nfs/dbraw/zinc/96/31/15/403963115.db2.gz ZYBXZFIHHHIHIJ-QZTJIDSGSA-N 2 1 315.461 2.014 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn2ccccc12 ZINC000378373566 404946270 /nfs/dbraw/zinc/94/62/70/404946270.db2.gz TZVFHFNUIOITCF-NXHRZFHOSA-N 2 1 314.433 2.018 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnn2ccccc12 ZINC000378373566 404946275 /nfs/dbraw/zinc/94/62/75/404946275.db2.gz TZVFHFNUIOITCF-NXHRZFHOSA-N 2 1 314.433 2.018 10 0 DEAEMP C[C@H](CC[NH2+]C[C@H](O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379647579 405027934 /nfs/dbraw/zinc/02/79/34/405027934.db2.gz KQYNTJJDIKIYNK-OCCSQVGLSA-N 2 1 304.356 2.410 10 0 DEAEMP C[C@H](CC[NH2+]C[C@H](O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379647579 405027943 /nfs/dbraw/zinc/02/79/43/405027943.db2.gz KQYNTJJDIKIYNK-OCCSQVGLSA-N 2 1 304.356 2.410 10 0 DEAEMP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852532 405715759 /nfs/dbraw/zinc/71/57/59/405715759.db2.gz YCYNIYOTFCVOAY-FUHWJXTLSA-N 2 1 317.477 2.403 10 0 DEAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000525315242 406485217 /nfs/dbraw/zinc/48/52/17/406485217.db2.gz PPHJPTFJARVPKF-HALDLXJZSA-N 2 1 314.433 2.208 10 0 DEAEMP [NH3+]C1(CC(=O)N[C@H]2CC23CC3)CC[NH+](Cc2ccccc2)CC1 ZINC000638366360 406727387 /nfs/dbraw/zinc/72/73/87/406727387.db2.gz HLEJCCVBPRACLJ-INIZCTEOSA-N 2 1 313.445 2.039 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000379635992 424908127 /nfs/dbraw/zinc/90/81/27/424908127.db2.gz WRIHBCITSSMXNP-WBVHZDCISA-N 2 1 304.434 2.045 10 0 DEAEMP C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000379635992 424908128 /nfs/dbraw/zinc/90/81/28/424908128.db2.gz WRIHBCITSSMXNP-WBVHZDCISA-N 2 1 304.434 2.045 10 0 DEAEMP C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000398035622 424922858 /nfs/dbraw/zinc/92/28/58/424922858.db2.gz PNNWLXKYOXANKM-AGERRDQYSA-N 2 1 315.461 2.283 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000398025338 269107920 /nfs/dbraw/zinc/10/79/20/269107920.db2.gz LSOILXROHBVISU-BHIYHBOVSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000398025338 269107921 /nfs/dbraw/zinc/10/79/21/269107921.db2.gz LSOILXROHBVISU-BHIYHBOVSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000398025338 269107922 /nfs/dbraw/zinc/10/79/22/269107922.db2.gz LSOILXROHBVISU-BHIYHBOVSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000398025338 269107923 /nfs/dbraw/zinc/10/79/23/269107923.db2.gz LSOILXROHBVISU-BHIYHBOVSA-N 2 1 301.478 2.486 10 0 DEAEMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](C2CC2)CC1)c1ccccc1 ZINC000171480662 279044105 /nfs/dbraw/zinc/04/41/05/279044105.db2.gz YVPUQXLFSCWYRA-SFHVURJKSA-N 2 1 315.461 2.376 10 0 DEAEMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](C2CC2)CC1)c1ccccc1 ZINC000171480662 279044107 /nfs/dbraw/zinc/04/41/07/279044107.db2.gz YVPUQXLFSCWYRA-SFHVURJKSA-N 2 1 315.461 2.376 10 0 DEAEMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000171480662 279044109 /nfs/dbraw/zinc/04/41/09/279044109.db2.gz YVPUQXLFSCWYRA-SFHVURJKSA-N 2 1 315.461 2.376 10 0 DEAEMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000171480662 279044110 /nfs/dbraw/zinc/04/41/10/279044110.db2.gz YVPUQXLFSCWYRA-SFHVURJKSA-N 2 1 315.461 2.376 10 0 DEAEMP NC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000302226806 534506263 /nfs/dbraw/zinc/50/62/63/534506263.db2.gz PVNGQADGBUSCJC-AWEZNQCLSA-N 2 1 302.422 2.025 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000105862046 525790858 /nfs/dbraw/zinc/79/08/58/525790858.db2.gz NSKLCBBOWLFIPW-OAHLLOKOSA-N 2 1 324.440 2.229 10 0 DEAEMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360154599 535049738 /nfs/dbraw/zinc/04/97/38/535049738.db2.gz TXLREYPBNJGOKG-AEFFLSMTSA-N 2 1 317.477 2.403 10 0 DEAEMP CCC[NH2+]CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000261732808 535171727 /nfs/dbraw/zinc/17/17/27/535171727.db2.gz YLNIHULHAAZWFT-UHFFFAOYSA-N 2 1 303.450 2.400 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458468070 535448055 /nfs/dbraw/zinc/44/80/55/535448055.db2.gz WHYQGMYTZDLDSH-KRWDZBQOSA-N 2 1 324.513 2.140 10 0 DEAEMP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261847217 535690491 /nfs/dbraw/zinc/69/04/91/535690491.db2.gz REOPEKAGMKKUFT-INIZCTEOSA-N 2 1 320.433 2.188 10 0 DEAEMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261847217 535690497 /nfs/dbraw/zinc/69/04/97/535690497.db2.gz REOPEKAGMKKUFT-INIZCTEOSA-N 2 1 320.433 2.188 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261860614 535819768 /nfs/dbraw/zinc/81/97/68/535819768.db2.gz WTHKCMOQHWKCAU-BZUAXINKSA-N 2 1 309.498 2.378 10 0 DEAEMP C[N@@H+](CCN1CC[NH+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248561516 536371944 /nfs/dbraw/zinc/37/19/44/536371944.db2.gz NCIQWLBXZPSLRB-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+](CCN1CC[N@@H+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248561516 536371947 /nfs/dbraw/zinc/37/19/47/536371947.db2.gz NCIQWLBXZPSLRB-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP C[NH+](CCN1CC[N@H+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248561516 536371950 /nfs/dbraw/zinc/37/19/50/536371950.db2.gz NCIQWLBXZPSLRB-SFHVURJKSA-N 2 1 305.441 2.428 10 0 DEAEMP C[C@H](C[S@@](C)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680051 792984165 /nfs/dbraw/zinc/98/41/65/792984165.db2.gz PYORPDLQIJGXHL-VBAMYXKLSA-N 2 1 320.502 2.396 10 0 DEAEMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730987 793003516 /nfs/dbraw/zinc/00/35/16/793003516.db2.gz ISZBEAOAQIDOOZ-SPUZQDLCSA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730987 793003528 /nfs/dbraw/zinc/00/35/28/793003528.db2.gz ISZBEAOAQIDOOZ-SPUZQDLCSA-N 2 1 315.461 2.106 10 0 DEAEMP C[N@H+]1CCC[C@H](C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000701868887 1086388950 /nfs/dbraw/zinc/38/89/50/1086388950.db2.gz VEODQVHSJIBCCG-KSTDHSDQSA-N 2 1 323.481 2.317 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711410438 1087094731 /nfs/dbraw/zinc/09/47/31/1087094731.db2.gz MFTXBNIPMYHDHX-OKILXGFUSA-N 2 1 308.426 2.084 10 0 DEAEMP CC[NH2+][C@@H]1C(=O)Nc2cc(OCCC[NH+](C)C)c(Cl)cc21 ZINC000092770053 185339568 /nfs/dbraw/zinc/33/95/68/185339568.db2.gz NNOQCNGLJHKKJK-AWEZNQCLSA-N 2 1 311.813 2.273 10 0 DEAEMP CC[NH2+][C@H](Cc1ccccc1Cl)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149684514 186051554 /nfs/dbraw/zinc/05/15/54/186051554.db2.gz ASTUJZHLYYNLOS-HZPDHXFCSA-N 2 1 309.885 2.497 10 0 DEAEMP Brc1c[nH+]ccc1NCCCOC1CC[NH2+]CC1 ZINC000163949858 186143521 /nfs/dbraw/zinc/14/35/21/186143521.db2.gz PRHXZWJCPFMVCY-UHFFFAOYSA-N 2 1 314.227 2.415 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309734076 539878298 /nfs/dbraw/zinc/87/82/98/539878298.db2.gz TUGATPWWYKYRLS-HKUYNNGSSA-N 2 1 315.461 2.096 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309734076 539878301 /nfs/dbraw/zinc/87/83/01/539878301.db2.gz TUGATPWWYKYRLS-HKUYNNGSSA-N 2 1 315.461 2.096 10 0 DEAEMP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309746142 539878610 /nfs/dbraw/zinc/87/86/10/539878610.db2.gz XTHZQSDQARVAON-OKZBNKHCSA-N 2 1 315.461 2.094 10 0 DEAEMP C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333578306 539963804 /nfs/dbraw/zinc/96/38/04/539963804.db2.gz NHLUXHDGPQOIRM-HRCADAONSA-N 2 1 322.497 2.081 10 0 DEAEMP C[C@H]([NH2+]Cc1nn(C)cc1Br)C1CC[NH+](C)CC1 ZINC000393346295 540137369 /nfs/dbraw/zinc/13/73/69/540137369.db2.gz CNGQBZGEVMPKCM-JTQLQIEISA-N 2 1 315.259 2.003 10 0 DEAEMP [NH3+]C1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000323755671 356456512 /nfs/dbraw/zinc/45/65/12/356456512.db2.gz UEJOGARHRKCFJY-UHFFFAOYSA-N 2 1 315.461 2.238 10 0 DEAEMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357898975 283183076 /nfs/dbraw/zinc/18/30/76/283183076.db2.gz DLJFCONVOBBUOF-INIZCTEOSA-N 2 1 310.486 2.058 10 0 DEAEMP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357898975 283183078 /nfs/dbraw/zinc/18/30/78/283183078.db2.gz DLJFCONVOBBUOF-INIZCTEOSA-N 2 1 310.486 2.058 10 0 DEAEMP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357898975 283183080 /nfs/dbraw/zinc/18/30/80/283183080.db2.gz DLJFCONVOBBUOF-INIZCTEOSA-N 2 1 310.486 2.058 10 0 DEAEMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457675 357726437 /nfs/dbraw/zinc/72/64/37/357726437.db2.gz FRGYBTYSZYZVTI-IRXDYDNUSA-N 2 1 307.482 2.053 10 0 DEAEMP CCOC(=O)c1nc(C[N@H+](C)C2CCC([NH2+]C)CC2)cs1 ZINC000091873139 193121058 /nfs/dbraw/zinc/12/10/58/193121058.db2.gz SYQIUEURLBATHK-UHFFFAOYSA-N 2 1 311.451 2.282 10 0 DEAEMP CCOC(=O)c1nc(C[N@@H+](C)C2CCC([NH2+]C)CC2)cs1 ZINC000091873139 193121060 /nfs/dbraw/zinc/12/10/60/193121060.db2.gz SYQIUEURLBATHK-UHFFFAOYSA-N 2 1 311.451 2.282 10 0 DEAEMP C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631837486 368414947 /nfs/dbraw/zinc/41/49/47/368414947.db2.gz BVRKVULLWIZVGA-NEPJUHHUSA-N 2 1 313.239 2.355 10 0 DEAEMP CCOC(=O)[C@]1([NH3+])CCC[C@@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596060 193270706 /nfs/dbraw/zinc/27/07/06/193270706.db2.gz VMZJFWRMDLBBBD-YPMHNXCESA-N 2 1 310.360 2.321 10 0 DEAEMP CC[N@H+](CC(=O)N[C@H](C)c1cccs1)CC1CC[NH2+]CC1 ZINC000094024937 193340167 /nfs/dbraw/zinc/34/01/67/193340167.db2.gz LJFJINUEMWWIOX-CYBMUJFWSA-N 2 1 309.479 2.247 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000454785702 246153708 /nfs/dbraw/zinc/15/37/08/246153708.db2.gz LKAOITOAJYNAIB-UHFFFAOYSA-N 2 1 322.497 2.204 10 0 DEAEMP C[C@H]1C[C@@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@H+]1C ZINC000158928171 197311972 /nfs/dbraw/zinc/31/19/72/197311972.db2.gz IOBNPRMNIZEBBW-UWVGGRQHSA-N 2 1 302.344 2.203 10 0 DEAEMP COc1ccccc1C[N@H+]1CC[C@@]2(C1)C[C@@H]([NH+](C)C)CCO2 ZINC000248036222 257111267 /nfs/dbraw/zinc/11/12/67/257111267.db2.gz UTOFNHYDBQAOJS-WMZOPIPTSA-N 2 1 304.434 2.380 10 0 DEAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671546 133194473 /nfs/dbraw/zinc/19/44/73/133194473.db2.gz LHMHLZLIKKJXCC-QFBILLFUSA-N 2 1 315.461 2.411 10 0 DEAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000368445453 133273278 /nfs/dbraw/zinc/27/32/78/133273278.db2.gz GVHKFUJHDBYTCN-QGZVFWFLSA-N 2 1 307.438 2.242 10 0 DEAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000368445453 133273279 /nfs/dbraw/zinc/27/32/79/133273279.db2.gz GVHKFUJHDBYTCN-QGZVFWFLSA-N 2 1 307.438 2.242 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000247371533 145135570 /nfs/dbraw/zinc/13/55/70/145135570.db2.gz RYPPIMZHDPERCW-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000247371533 145135571 /nfs/dbraw/zinc/13/55/71/145135571.db2.gz RYPPIMZHDPERCW-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247371533 145135572 /nfs/dbraw/zinc/13/55/72/145135572.db2.gz RYPPIMZHDPERCW-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247371533 145135573 /nfs/dbraw/zinc/13/55/73/145135573.db2.gz RYPPIMZHDPERCW-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000247479040 145138684 /nfs/dbraw/zinc/13/86/84/145138684.db2.gz VYOOYDLOTCINBQ-QBPKDAKJSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000247479040 145138685 /nfs/dbraw/zinc/13/86/85/145138685.db2.gz VYOOYDLOTCINBQ-QBPKDAKJSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000247479040 145138686 /nfs/dbraw/zinc/13/86/86/145138686.db2.gz VYOOYDLOTCINBQ-QBPKDAKJSA-N 2 1 324.513 2.135 10 0 DEAEMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000248849478 145170219 /nfs/dbraw/zinc/17/02/19/145170219.db2.gz PTNYFNCCCGWDBZ-OAGGEKHMSA-N 2 1 305.422 2.245 10 0 DEAEMP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCCn1cc[nH+]c1C ZINC000248849478 145170221 /nfs/dbraw/zinc/17/02/21/145170221.db2.gz PTNYFNCCCGWDBZ-OAGGEKHMSA-N 2 1 305.422 2.245 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000249329719 145182282 /nfs/dbraw/zinc/18/22/82/145182282.db2.gz WBYILYKLCREMQC-HZPDHXFCSA-N 2 1 312.502 2.280 10 0 DEAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249862871 145190668 /nfs/dbraw/zinc/19/06/68/145190668.db2.gz GSFDMQXPJKZFEL-IMJJTQAJSA-N 2 1 318.465 2.427 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000249838926 145190910 /nfs/dbraw/zinc/19/09/10/145190910.db2.gz UMFBKHNMZYDPEX-LSDHHAIUSA-N 2 1 321.469 2.001 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000249838926 145190912 /nfs/dbraw/zinc/19/09/12/145190912.db2.gz UMFBKHNMZYDPEX-LSDHHAIUSA-N 2 1 321.469 2.001 10 0 DEAEMP CSc1cc2c(cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1)OCCO2 ZINC000261612645 145210595 /nfs/dbraw/zinc/21/05/95/145210595.db2.gz BJPGXLUWLXYCES-MRXNPFEDSA-N 2 1 308.447 2.350 10 0 DEAEMP CSc1cc2c(cc1C[N@H+]1CC[C@](C)(C[NH3+])C1)OCCO2 ZINC000261612645 145210597 /nfs/dbraw/zinc/21/05/97/145210597.db2.gz BJPGXLUWLXYCES-MRXNPFEDSA-N 2 1 308.447 2.350 10 0 DEAEMP CCC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261931330 145243522 /nfs/dbraw/zinc/24/35/22/145243522.db2.gz WGIYRESEYYWZBJ-HZPDHXFCSA-N 2 1 309.498 2.393 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261954423 145246558 /nfs/dbraw/zinc/24/65/58/145246558.db2.gz OTSPTZWKIRGNQG-KURKYZTESA-N 2 1 304.434 2.332 10 0 DEAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000262013181 145253118 /nfs/dbraw/zinc/25/31/18/145253118.db2.gz VSWIUBGRCJMOJT-GDAAHCPNSA-N 2 1 315.461 2.012 10 0 DEAEMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262952153 145313825 /nfs/dbraw/zinc/31/38/25/145313825.db2.gz JSRGJHIZPPXWHR-RYRKJORJSA-N 2 1 307.482 2.275 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000113591055 401783148 /nfs/dbraw/zinc/78/31/48/401783148.db2.gz KHKNTPSEUBRADF-CVEARBPZSA-N 2 1 312.502 2.280 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(C)cc1 ZINC000130817066 401839155 /nfs/dbraw/zinc/83/91/55/401839155.db2.gz VLLZPCYCMSJDIN-KRWDZBQOSA-N 2 1 317.433 2.262 10 0 DEAEMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(C)cc1 ZINC000130817066 401839157 /nfs/dbraw/zinc/83/91/57/401839157.db2.gz VLLZPCYCMSJDIN-KRWDZBQOSA-N 2 1 317.433 2.262 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461585 401873261 /nfs/dbraw/zinc/87/32/61/401873261.db2.gz MADGXEIVEGNKEL-PBHICJAKSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461585 401873262 /nfs/dbraw/zinc/87/32/62/401873262.db2.gz MADGXEIVEGNKEL-PBHICJAKSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NC)c2)[C@H](C)C1 ZINC000079461585 401873264 /nfs/dbraw/zinc/87/32/64/401873264.db2.gz MADGXEIVEGNKEL-PBHICJAKSA-N 2 1 303.450 2.208 10 0 DEAEMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516167 401896733 /nfs/dbraw/zinc/89/67/33/401896733.db2.gz FYBIGEHDQVHURU-MSOLQXFVSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516167 401896734 /nfs/dbraw/zinc/89/67/34/401896734.db2.gz FYBIGEHDQVHURU-MSOLQXFVSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516167 401896737 /nfs/dbraw/zinc/89/67/37/401896737.db2.gz FYBIGEHDQVHURU-MSOLQXFVSA-N 2 1 320.477 2.398 10 0 DEAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C)cc2)C1 ZINC000081516167 401896738 /nfs/dbraw/zinc/89/67/38/401896738.db2.gz FYBIGEHDQVHURU-MSOLQXFVSA-N 2 1 320.477 2.398 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000052524660 402043587 /nfs/dbraw/zinc/04/35/87/402043587.db2.gz QJAIYFFWRNMCSF-IRXDYDNUSA-N 2 1 324.513 2.280 10 0 DEAEMP C[C@@H]1CCC[C@H](NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1C ZINC000123421626 402126956 /nfs/dbraw/zinc/12/69/56/402126956.db2.gz QMEJWCWOFMCQQP-HHARLNAUSA-N 2 1 309.498 2.342 10 0 DEAEMP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000153140781 402128963 /nfs/dbraw/zinc/12/89/63/402128963.db2.gz BUFOYLRWCHLRBA-HOTGVXAUSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@H]2CN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000153140781 402128964 /nfs/dbraw/zinc/12/89/64/402128964.db2.gz BUFOYLRWCHLRBA-HOTGVXAUSA-N 2 1 303.793 2.407 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000154091215 402192532 /nfs/dbraw/zinc/19/25/32/402192532.db2.gz MLTNJHLGHKGBDC-BBWFWOEESA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000154091215 402192535 /nfs/dbraw/zinc/19/25/35/402192535.db2.gz MLTNJHLGHKGBDC-BBWFWOEESA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000154091215 402192537 /nfs/dbraw/zinc/19/25/37/402192537.db2.gz MLTNJHLGHKGBDC-BBWFWOEESA-N 2 1 322.497 2.129 10 0 DEAEMP COc1ccc([C@H](CNC2=[NH+]CCCN2)[NH+]2CCCCC2)cc1 ZINC000068467056 402199101 /nfs/dbraw/zinc/19/91/01/402199101.db2.gz MXHUBXOLNDIKLS-KRWDZBQOSA-N 2 1 316.449 2.161 10 0 DEAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655227 402289142 /nfs/dbraw/zinc/28/91/42/402289142.db2.gz IHFNMYLBOSZHQM-IAGOWNOFSA-N 2 1 309.498 2.046 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000184655227 402289143 /nfs/dbraw/zinc/28/91/43/402289143.db2.gz IHFNMYLBOSZHQM-IAGOWNOFSA-N 2 1 309.498 2.046 10 0 DEAEMP CCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)C ZINC000162676598 402428223 /nfs/dbraw/zinc/42/82/23/402428223.db2.gz VNLVIJMMPCXJIH-HYVNUMGLSA-N 2 1 307.482 2.192 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)[nH+]1 ZINC000245459258 402462378 /nfs/dbraw/zinc/46/23/78/402462378.db2.gz DJTYJQNZLRTCEI-HOTGVXAUSA-N 2 1 316.449 2.133 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246910595 402548987 /nfs/dbraw/zinc/54/89/87/402548987.db2.gz XZJWFTVZDBBDJU-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246910595 402548989 /nfs/dbraw/zinc/54/89/89/402548989.db2.gz XZJWFTVZDBBDJU-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246910595 402548990 /nfs/dbraw/zinc/54/89/90/402548990.db2.gz XZJWFTVZDBBDJU-BRWVUGGUSA-N 2 1 324.513 2.135 10 0 DEAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCC(C)C)C1 ZINC000247243145 402561619 /nfs/dbraw/zinc/56/16/19/402561619.db2.gz SMZJJSCAKJAMIB-HZPDHXFCSA-N 2 1 309.454 2.116 10 0 DEAEMP C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)CC1CC[NH2+]CC1 ZINC000178980831 402561878 /nfs/dbraw/zinc/56/18/78/402561878.db2.gz PPQNIYNPTUQLPZ-MRXNPFEDSA-N 2 1 323.506 2.053 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246341750 402526023 /nfs/dbraw/zinc/52/60/23/402526023.db2.gz OVLLSFJPSVARLE-OAGGEKHMSA-N 2 1 312.502 2.087 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000246485651 402533437 /nfs/dbraw/zinc/53/34/37/402533437.db2.gz VZBFWJTWFZYXCJ-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000246485651 402533438 /nfs/dbraw/zinc/53/34/38/402533438.db2.gz VZBFWJTWFZYXCJ-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000246485651 402533440 /nfs/dbraw/zinc/53/34/40/402533440.db2.gz VZBFWJTWFZYXCJ-BRWVUGGUSA-N 2 1 322.497 2.129 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248485753 402592961 /nfs/dbraw/zinc/59/29/61/402592961.db2.gz KVMUYEMLWNNDNG-IXDOHACOSA-N 2 1 324.513 2.279 10 0 DEAEMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247877051 402577590 /nfs/dbraw/zinc/57/75/90/402577590.db2.gz YUCFDCOSKSMKLR-AEFFLSMTSA-N 2 1 317.477 2.007 10 0 DEAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000247877051 402577593 /nfs/dbraw/zinc/57/75/93/402577593.db2.gz YUCFDCOSKSMKLR-AEFFLSMTSA-N 2 1 317.477 2.007 10 0 DEAEMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261848693 402717972 /nfs/dbraw/zinc/71/79/72/402717972.db2.gz BAPVAQSQUGXCJF-QRVBRYPASA-N 2 1 318.461 2.470 10 0 DEAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000191451181 402670882 /nfs/dbraw/zinc/67/08/82/402670882.db2.gz VKXFRMKGBBNPEH-ZWKOTPCHSA-N 2 1 309.498 2.046 10 0 DEAEMP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263238896 402749084 /nfs/dbraw/zinc/74/90/84/402749084.db2.gz OILGQKDLBBKMMR-AEFFLSMTSA-N 2 1 312.413 2.032 10 0 DEAEMP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000174832278 402759453 /nfs/dbraw/zinc/75/94/53/402759453.db2.gz VEHLDXMZZLXKQQ-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000174832278 402759455 /nfs/dbraw/zinc/75/94/55/402759455.db2.gz VEHLDXMZZLXKQQ-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174832278 402759456 /nfs/dbraw/zinc/75/94/56/402759456.db2.gz VEHLDXMZZLXKQQ-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174832278 402759458 /nfs/dbraw/zinc/75/94/58/402759458.db2.gz VEHLDXMZZLXKQQ-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193696432 402775124 /nfs/dbraw/zinc/77/51/24/402775124.db2.gz HMESNEZEBNXQPE-HNNXBMFYSA-N 2 1 322.497 2.034 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175668645 402824393 /nfs/dbraw/zinc/82/43/93/402824393.db2.gz BKPBCLGNDBDIST-INIZCTEOSA-N 2 1 322.497 2.177 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720923 402826578 /nfs/dbraw/zinc/82/65/78/402826578.db2.gz YIRRGRMDFFYJHQ-RHSMWYFYSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720923 402826581 /nfs/dbraw/zinc/82/65/81/402826581.db2.gz YIRRGRMDFFYJHQ-RHSMWYFYSA-N 2 1 303.450 2.208 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)NC)cc2)[C@H](C)C1 ZINC000175720923 402826584 /nfs/dbraw/zinc/82/65/84/402826584.db2.gz YIRRGRMDFFYJHQ-RHSMWYFYSA-N 2 1 303.450 2.208 10 0 DEAEMP C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000195314456 402841445 /nfs/dbraw/zinc/84/14/45/402841445.db2.gz FIPAGAPRFJHNFI-KRWDZBQOSA-N 2 1 301.434 2.106 10 0 DEAEMP C[N@H+](Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cnccn1 ZINC000299784526 403574523 /nfs/dbraw/zinc/57/45/23/403574523.db2.gz IBFQPSAKVNNGNK-UHFFFAOYSA-N 2 1 312.417 2.239 10 0 DEAEMP C[N@@H+](Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cnccn1 ZINC000299784526 403574524 /nfs/dbraw/zinc/57/45/24/403574524.db2.gz IBFQPSAKVNNGNK-UHFFFAOYSA-N 2 1 312.417 2.239 10 0 DEAEMP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000396436391 405055913 /nfs/dbraw/zinc/05/59/13/405055913.db2.gz ZVLDZIIDMRRVAU-INIZCTEOSA-N 2 1 323.440 2.492 10 0 DEAEMP C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000396436391 405055917 /nfs/dbraw/zinc/05/59/17/405055917.db2.gz ZVLDZIIDMRRVAU-INIZCTEOSA-N 2 1 323.440 2.492 10 0 DEAEMP c1nc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)n2c1CCCC2 ZINC000420378955 405338223 /nfs/dbraw/zinc/33/82/23/405338223.db2.gz UURKKIMUMUCYKZ-HZPDHXFCSA-N 2 1 302.466 2.398 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836168 405704669 /nfs/dbraw/zinc/70/46/69/405704669.db2.gz QXYDUWYRZNTNQW-RYQLBKOJSA-N 2 1 317.477 2.244 10 0 DEAEMP C[C@@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650008 406207192 /nfs/dbraw/zinc/20/71/92/406207192.db2.gz ZBMUOWLEHVPJFT-JKSUJKDBSA-N 2 1 310.388 2.258 10 0 DEAEMP C[C@@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650008 406207198 /nfs/dbraw/zinc/20/71/98/406207198.db2.gz ZBMUOWLEHVPJFT-JKSUJKDBSA-N 2 1 310.388 2.258 10 0 DEAEMP C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000634768387 406274695 /nfs/dbraw/zinc/27/46/95/406274695.db2.gz IDJCYGAHLYECRP-IEZWGBDMSA-N 2 1 315.461 2.013 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000635005342 406397890 /nfs/dbraw/zinc/39/78/90/406397890.db2.gz UQLOOKUJQUIVMV-NZSAHSFTSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635005342 406397891 /nfs/dbraw/zinc/39/78/91/406397891.db2.gz UQLOOKUJQUIVMV-NZSAHSFTSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000635005342 406397894 /nfs/dbraw/zinc/39/78/94/406397894.db2.gz UQLOOKUJQUIVMV-NZSAHSFTSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918410 406455387 /nfs/dbraw/zinc/45/53/87/406455387.db2.gz IBRIRFVNDXTUMY-QXAKKESOSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918410 406455391 /nfs/dbraw/zinc/45/53/91/406455391.db2.gz IBRIRFVNDXTUMY-QXAKKESOSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918410 406455392 /nfs/dbraw/zinc/45/53/92/406455392.db2.gz IBRIRFVNDXTUMY-QXAKKESOSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000637892402 406465429 /nfs/dbraw/zinc/46/54/29/406465429.db2.gz JFIFLYRIUPAWHQ-OAHLLOKOSA-N 2 1 315.461 2.285 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000638305276 406686726 /nfs/dbraw/zinc/68/67/26/406686726.db2.gz TYRIUFBGEJNQIH-SFHVURJKSA-N 2 1 304.434 2.178 10 0 DEAEMP CC(C)[NH+](CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)C(C)C ZINC000132436486 196255925 /nfs/dbraw/zinc/25/59/25/196255925.db2.gz ZEZASMBXGIIOLP-CVEARBPZSA-N 2 1 312.502 2.133 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000379635990 424907853 /nfs/dbraw/zinc/90/78/53/424907853.db2.gz WRIHBCITSSMXNP-NVXWUHKLSA-N 2 1 304.434 2.045 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000379635990 424907855 /nfs/dbraw/zinc/90/78/55/424907855.db2.gz WRIHBCITSSMXNP-NVXWUHKLSA-N 2 1 304.434 2.045 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390700831 424917492 /nfs/dbraw/zinc/91/74/92/424917492.db2.gz CQFPQIJDQFJXOE-MSOLQXFVSA-N 2 1 317.477 2.388 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390715910 424917517 /nfs/dbraw/zinc/91/75/17/424917517.db2.gz CLTGBNYEXIIQLW-BZSNNMDCSA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000407360412 424932818 /nfs/dbraw/zinc/93/28/18/424932818.db2.gz HEJSZZPGMDHDAC-OLMNPRSZSA-N 2 1 315.461 2.154 10 0 DEAEMP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000657338092 425308979 /nfs/dbraw/zinc/30/89/79/425308979.db2.gz PJEJDOIPVFVCEB-DOTOQJQBSA-N 2 1 317.437 2.165 10 0 DEAEMP Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn2cc[nH+]c12 ZINC000333272816 268917290 /nfs/dbraw/zinc/91/72/90/268917290.db2.gz GIQSYOZNGJDMCX-AEGPPILISA-N 2 1 313.405 2.234 10 0 DEAEMP CC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847457 269086398 /nfs/dbraw/zinc/08/63/98/269086398.db2.gz SDLGRHXFWFHVNE-CRAIPNDOSA-N 2 1 303.450 2.013 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398047015 269108037 /nfs/dbraw/zinc/10/80/37/269108037.db2.gz WDVTYVKTVFONIN-FPAYPSAMSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398047015 269108038 /nfs/dbraw/zinc/10/80/38/269108038.db2.gz WDVTYVKTVFONIN-FPAYPSAMSA-N 2 1 301.478 2.485 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262662814 276247539 /nfs/dbraw/zinc/24/75/39/276247539.db2.gz HHGLLMVOTYQRSU-HZMVEIRTSA-N 2 1 307.482 2.097 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000176414275 279325050 /nfs/dbraw/zinc/32/50/50/279325050.db2.gz GUDYFDARVXABBB-KRWDZBQOSA-N 2 1 324.513 2.234 10 0 DEAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000188352155 333044874 /nfs/dbraw/zinc/04/48/74/333044874.db2.gz YSVWZOOCZYZVIT-CRAIPNDOSA-N 2 1 306.450 2.015 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000184935711 333202861 /nfs/dbraw/zinc/20/28/61/333202861.db2.gz AXLMHIWOZUMYRE-CVEARBPZSA-N 2 1 310.486 2.034 10 0 DEAEMP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388498867 333316856 /nfs/dbraw/zinc/31/68/56/333316856.db2.gz NMZZKNZJWHAGJY-PKOBYXMFSA-N 2 1 315.461 2.252 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC000105897332 522596165 /nfs/dbraw/zinc/59/61/65/522596165.db2.gz HCIABRFJAJXSDY-LSDHHAIUSA-N 2 1 306.454 2.339 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC000105897332 522596175 /nfs/dbraw/zinc/59/61/75/522596175.db2.gz HCIABRFJAJXSDY-LSDHHAIUSA-N 2 1 306.454 2.339 10 0 DEAEMP C[C@@H]([NH3+])CCC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248882285 524996225 /nfs/dbraw/zinc/99/62/25/524996225.db2.gz SNCZXFVBUKEZMF-OLMMMNRUSA-N 2 1 317.477 2.387 10 0 DEAEMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246370073 535665362 /nfs/dbraw/zinc/66/53/62/535665362.db2.gz GMBARYSWMSLSII-ROUUACIJSA-N 2 1 315.461 2.376 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261560369 635900063 /nfs/dbraw/zinc/90/00/63/635900063.db2.gz ZUGAVJCSOVIWDT-DJIMGWMZSA-N 2 1 303.450 2.141 10 0 DEAEMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000742196098 637340063 /nfs/dbraw/zinc/34/00/63/637340063.db2.gz LSQFFWUQJZCYCT-OAHLLOKOSA-N 2 1 301.434 2.059 10 0 DEAEMP [NH3+][C@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000379667364 685393094 /nfs/dbraw/zinc/39/30/94/685393094.db2.gz ZJIPUNVGYQBXCB-QZTJIDSGSA-N 2 1 315.461 2.285 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000397729191 790213328 /nfs/dbraw/zinc/21/33/28/790213328.db2.gz DNHLZIUXJKHCNR-CABCVRRESA-N 2 1 309.454 2.070 10 0 DEAEMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000397729191 790213335 /nfs/dbraw/zinc/21/33/35/790213335.db2.gz DNHLZIUXJKHCNR-CABCVRRESA-N 2 1 309.454 2.070 10 0 DEAEMP OC1(CC[NH2+]Cc2cocn2)CC[NH+](Cc2ccccc2)CC1 ZINC000718010645 1081863432 /nfs/dbraw/zinc/86/34/32/1081863432.db2.gz JJFMVHLTPUYBBQ-UHFFFAOYSA-N 2 1 315.417 2.181 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000711436421 1087102212 /nfs/dbraw/zinc/10/22/12/1087102212.db2.gz BJOCCAZEVAMBHH-BYNSBNAKSA-N 2 1 311.470 2.362 10 0 DEAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000079192857 185161372 /nfs/dbraw/zinc/16/13/72/185161372.db2.gz JDYJITTWPUNIRP-GJZGRUSLSA-N 2 1 324.469 2.158 10 0 DEAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000090326721 185291168 /nfs/dbraw/zinc/29/11/68/185291168.db2.gz HJQIPUNMKZDGCN-UPJWGTAASA-N 2 1 307.825 2.208 10 0 DEAEMP CN(C[C@H]1CCC[N@H+]1C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000092625391 185329661 /nfs/dbraw/zinc/32/96/61/185329661.db2.gz JTLQAAJGAGMDHM-RISCZKNCSA-N 2 1 301.356 2.130 10 0 DEAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCCCC4)n3)C[C@H]21 ZINC000333580340 282963089 /nfs/dbraw/zinc/96/30/89/282963089.db2.gz UDMZKEKVZWHMBJ-RBSFLKMASA-N 2 1 301.438 2.031 10 0 DEAEMP [NH3+]C1(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC1 ZINC000237999358 539753153 /nfs/dbraw/zinc/75/31/53/539753153.db2.gz NTKICBMDJRGPJQ-QGZVFWFLSA-N 2 1 315.461 2.429 10 0 DEAEMP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071736494 191019410 /nfs/dbraw/zinc/01/94/10/191019410.db2.gz PCTJUKWCACDUEM-KRWDZBQOSA-N 2 1 318.465 2.160 10 0 DEAEMP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071736494 191019411 /nfs/dbraw/zinc/01/94/11/191019411.db2.gz PCTJUKWCACDUEM-KRWDZBQOSA-N 2 1 318.465 2.160 10 0 DEAEMP CC[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149665353 186052052 /nfs/dbraw/zinc/05/20/52/186052052.db2.gz INYTWMWVZRNVNV-DLBZAZTESA-N 2 1 309.885 2.497 10 0 DEAEMP C[NH2+][C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404312536 540144689 /nfs/dbraw/zinc/14/46/89/540144689.db2.gz MCWKTBQRNVSWPL-JJXSEGSLSA-N 2 1 303.450 2.104 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182716003 356141451 /nfs/dbraw/zinc/14/14/51/356141451.db2.gz GMBYEJIPXNDABN-IAGOWNOFSA-N 2 1 324.513 2.377 10 0 DEAEMP CC1CC[NH+](CCCc2noc([C@H]([NH3+])C3CCOCC3)n2)CC1 ZINC000328630557 356463532 /nfs/dbraw/zinc/46/35/32/356463532.db2.gz JNGSQNBFRMLBAL-MRXNPFEDSA-N 2 1 322.453 2.161 10 0 DEAEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536036059 540241299 /nfs/dbraw/zinc/24/12/99/540241299.db2.gz PZANPNWSEXRRQF-IAGOWNOFSA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536036059 540241304 /nfs/dbraw/zinc/24/13/04/540241304.db2.gz PZANPNWSEXRRQF-IAGOWNOFSA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536036059 540241306 /nfs/dbraw/zinc/24/13/06/540241306.db2.gz PZANPNWSEXRRQF-IAGOWNOFSA-N 2 1 301.434 2.164 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536036059 540241311 /nfs/dbraw/zinc/24/13/11/540241311.db2.gz PZANPNWSEXRRQF-IAGOWNOFSA-N 2 1 301.434 2.164 10 0 DEAEMP COC(=O)c1ccccc1CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000187120090 200065198 /nfs/dbraw/zinc/06/51/98/200065198.db2.gz UUGZYJVSDCNLDA-GDBMZVCRSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000187120090 200065199 /nfs/dbraw/zinc/06/51/99/200065199.db2.gz UUGZYJVSDCNLDA-GDBMZVCRSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000187120090 200065201 /nfs/dbraw/zinc/06/52/01/200065201.db2.gz UUGZYJVSDCNLDA-GDBMZVCRSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)c1ccccc1CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000187120090 200065203 /nfs/dbraw/zinc/06/52/03/200065203.db2.gz UUGZYJVSDCNLDA-GDBMZVCRSA-N 2 1 304.434 2.430 10 0 DEAEMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262041730 284151108 /nfs/dbraw/zinc/15/11/08/284151108.db2.gz YINAKZVMODDSIK-UAGQMJEPSA-N 2 1 308.466 2.430 10 0 DEAEMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262041730 284151109 /nfs/dbraw/zinc/15/11/09/284151109.db2.gz YINAKZVMODDSIK-UAGQMJEPSA-N 2 1 308.466 2.430 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782959 193307961 /nfs/dbraw/zinc/30/79/61/193307961.db2.gz XGYWVPLAKISYGJ-DLBZAZTESA-N 2 1 300.487 2.264 10 0 DEAEMP CCC[N@H+](CC(=O)N(C)Cc1cccs1)CC(C)(C)C[NH3+] ZINC000093891708 193324232 /nfs/dbraw/zinc/32/42/32/193324232.db2.gz REEKJKHEQCEMKJ-UHFFFAOYSA-N 2 1 311.495 2.403 10 0 DEAEMP CCC[N@@H+](CC(=O)N(C)Cc1cccs1)CC(C)(C)C[NH3+] ZINC000093891708 193324233 /nfs/dbraw/zinc/32/42/33/193324233.db2.gz REEKJKHEQCEMKJ-UHFFFAOYSA-N 2 1 311.495 2.403 10 0 DEAEMP C[C@@H](C[NH3+])N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000109454025 194264326 /nfs/dbraw/zinc/26/43/26/194264326.db2.gz BLQTYVYMTVBIPY-LBPRGKRZSA-N 2 1 304.825 2.357 10 0 DEAEMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014484 184201118 /nfs/dbraw/zinc/20/11/18/184201118.db2.gz NLGJTYCCKDIKST-CYBMUJFWSA-N 2 1 309.841 2.155 10 0 DEAEMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000062014484 184201119 /nfs/dbraw/zinc/20/11/19/184201119.db2.gz NLGJTYCCKDIKST-CYBMUJFWSA-N 2 1 309.841 2.155 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034977 184202705 /nfs/dbraw/zinc/20/27/05/184202705.db2.gz QVHFIVSWKOKOGB-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CCCOC)C(=O)OCC ZINC000062034977 184202706 /nfs/dbraw/zinc/20/27/06/184202706.db2.gz QVHFIVSWKOKOGB-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034978 184202933 /nfs/dbraw/zinc/20/29/33/184202933.db2.gz QVHFIVSWKOKOGB-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CCCOC)C(=O)OCC ZINC000062034978 184202934 /nfs/dbraw/zinc/20/29/34/184202934.db2.gz QVHFIVSWKOKOGB-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCCNc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(SC)n1 ZINC000157408000 197185666 /nfs/dbraw/zinc/18/56/66/197185666.db2.gz KDWOWFFWFCEIFU-GFCCVEGCSA-N 2 1 307.467 2.305 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C)c1C(N)=S ZINC000156698031 197134110 /nfs/dbraw/zinc/13/41/10/197134110.db2.gz TVHUGUBIQHEDCQ-CYBMUJFWSA-N 2 1 306.479 2.253 10 0 DEAEMP COc1cccc(C[N@H+]2CC[C@@]3(C2)C[C@@H]([NH+](C)C)CCO3)c1 ZINC000248031764 257111182 /nfs/dbraw/zinc/11/11/82/257111182.db2.gz TXHXKLQHLOZNAU-WMZOPIPTSA-N 2 1 304.434 2.380 10 0 DEAEMP Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](CC4CC4)CCO[C@H]3C2)n1 ZINC000247869746 257115507 /nfs/dbraw/zinc/11/55/07/257115507.db2.gz KMBPWVKZHIBCLG-HKUYNNGSSA-N 2 1 315.461 2.323 10 0 DEAEMP Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](CC4CC4)CCO[C@H]3C2)n1 ZINC000247869746 257115508 /nfs/dbraw/zinc/11/55/08/257115508.db2.gz KMBPWVKZHIBCLG-HKUYNNGSSA-N 2 1 315.461 2.323 10 0 DEAEMP Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)CCO[C@H]3C2)n1 ZINC000247869746 257115510 /nfs/dbraw/zinc/11/55/10/257115510.db2.gz KMBPWVKZHIBCLG-HKUYNNGSSA-N 2 1 315.461 2.323 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCOCC4)[C@@H]3C2)nc1 ZINC000253596303 257104961 /nfs/dbraw/zinc/10/49/61/257104961.db2.gz PRONJFPDDJLJRK-AOIWGVFYSA-N 2 1 315.461 2.262 10 0 DEAEMP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2sc1=O ZINC000192469832 145073785 /nfs/dbraw/zinc/07/37/85/145073785.db2.gz JDHOTYCDDPTBQA-ZDUSSCGKSA-N 2 1 317.458 2.174 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246281107 145097252 /nfs/dbraw/zinc/09/72/52/145097252.db2.gz JZVIEWATNJGQKA-OAGGEKHMSA-N 2 1 324.513 2.231 10 0 DEAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](O)COCC(C)C)C1 ZINC000247243158 145131084 /nfs/dbraw/zinc/13/10/84/145131084.db2.gz SMZJJSCAKJAMIB-JKSUJKDBSA-N 2 1 309.454 2.116 10 0 DEAEMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309946 145132857 /nfs/dbraw/zinc/13/28/57/145132857.db2.gz VIGKEHFGKBLSLX-HZPDHXFCSA-N 2 1 302.418 2.374 10 0 DEAEMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309946 145132859 /nfs/dbraw/zinc/13/28/59/145132859.db2.gz VIGKEHFGKBLSLX-HZPDHXFCSA-N 2 1 302.418 2.374 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309946 145132860 /nfs/dbraw/zinc/13/28/60/145132860.db2.gz VIGKEHFGKBLSLX-HZPDHXFCSA-N 2 1 302.418 2.374 10 0 DEAEMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000247309946 145132862 /nfs/dbraw/zinc/13/28/62/145132862.db2.gz VIGKEHFGKBLSLX-HZPDHXFCSA-N 2 1 302.418 2.374 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000247500385 145139196 /nfs/dbraw/zinc/13/91/96/145139196.db2.gz UZKXBPCZLNZZRI-CVEARBPZSA-N 2 1 322.497 2.129 10 0 DEAEMP CCC[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000248795178 145168120 /nfs/dbraw/zinc/16/81/20/145168120.db2.gz JCWCFFMQAVWUII-BPQIPLTHSA-N 2 1 317.477 2.353 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261547804 145207251 /nfs/dbraw/zinc/20/72/51/145207251.db2.gz MTVIRHDNXHLMLW-NVXWUHKLSA-N 2 1 317.477 2.401 10 0 DEAEMP C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261560403 145208077 /nfs/dbraw/zinc/20/80/77/145208077.db2.gz ZWTVZXGDPXHJSV-DZOHQFGASA-N 2 1 315.461 2.141 10 0 DEAEMP CC1(C)C[N@@H+](CCc2nc(-c3ccccc3)no2)CC[C@H]1[NH3+] ZINC000261638541 145212628 /nfs/dbraw/zinc/21/26/28/145212628.db2.gz DHAPKLUDXKXGMT-CQSZACIVSA-N 2 1 300.406 2.338 10 0 DEAEMP Cc1nc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261906989 145240524 /nfs/dbraw/zinc/24/05/24/145240524.db2.gz IKYRTAYYZCVYLF-RRFJBIMHSA-N 2 1 309.479 2.049 10 0 DEAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC000261950367 145245568 /nfs/dbraw/zinc/24/55/68/145245568.db2.gz LNCUIKQGYZWYMU-INIZCTEOSA-N 2 1 319.449 2.077 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N(C)c1ccccc1 ZINC000262029012 145254444 /nfs/dbraw/zinc/25/44/44/145254444.db2.gz XHHXQVWMAKWGBZ-NXWXRZEISA-N 2 1 317.477 2.258 10 0 DEAEMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258663 /nfs/dbraw/zinc/25/86/63/145258663.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258665 /nfs/dbraw/zinc/25/86/65/145258665.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258668 /nfs/dbraw/zinc/25/86/68/145258668.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[nH+]c1 ZINC000262677044 145300014 /nfs/dbraw/zinc/30/00/14/145300014.db2.gz SYHVQDNKGVXTHH-XHSDSOJGSA-N 2 1 316.449 2.229 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@@H](C)C1 ZINC000358300019 147109072 /nfs/dbraw/zinc/10/90/72/147109072.db2.gz NFXJECUFCKCNFP-MPGHIAIKSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC000358300019 147109074 /nfs/dbraw/zinc/10/90/74/147109074.db2.gz NFXJECUFCKCNFP-MPGHIAIKSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC000358300019 147109076 /nfs/dbraw/zinc/10/90/76/147109076.db2.gz NFXJECUFCKCNFP-MPGHIAIKSA-N 2 1 322.497 2.376 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000129925500 401811799 /nfs/dbraw/zinc/81/17/99/401811799.db2.gz YPDIDGVNCJBWIJ-NCOADZHNSA-N 2 1 324.513 2.231 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000127813030 401750765 /nfs/dbraw/zinc/75/07/65/401750765.db2.gz QHYOTFKJSMOBDT-HZPDHXFCSA-N 2 1 312.502 2.090 10 0 DEAEMP CC(C)Cn1ccnc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121657529 402047358 /nfs/dbraw/zinc/04/73/58/402047358.db2.gz ASINWUJJVLCFAI-GJZGRUSLSA-N 2 1 321.469 2.067 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152373802 402092437 /nfs/dbraw/zinc/09/24/37/402092437.db2.gz HRGUUVRGYQXOKK-BRWVUGGUSA-N 2 1 324.513 2.231 10 0 DEAEMP CCOCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261848681 286182117 /nfs/dbraw/zinc/18/21/17/286182117.db2.gz BAPVAQSQUGXCJF-GUDVDZBRSA-N 2 1 318.461 2.470 10 0 DEAEMP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)C1CC1 ZINC000107846998 402241667 /nfs/dbraw/zinc/24/16/67/402241667.db2.gz XEONCICDCHSYCI-NVXWUHKLSA-N 2 1 322.497 2.129 10 0 DEAEMP CCCCOC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918468 402211513 /nfs/dbraw/zinc/21/15/13/402211513.db2.gz MKNKXNCNOITQAC-UHFFFAOYSA-N 2 1 307.438 2.408 10 0 DEAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000176143765 402283673 /nfs/dbraw/zinc/28/36/73/402283673.db2.gz CJWTXBPYLPPEQW-GJZGRUSLSA-N 2 1 322.453 2.008 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000176143765 402283675 /nfs/dbraw/zinc/28/36/75/402283675.db2.gz CJWTXBPYLPPEQW-GJZGRUSLSA-N 2 1 322.453 2.008 10 0 DEAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184655249 402288716 /nfs/dbraw/zinc/28/87/16/402288716.db2.gz IHFNMYLBOSZHQM-SJORKVTESA-N 2 1 309.498 2.046 10 0 DEAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000184655249 402288721 /nfs/dbraw/zinc/28/87/21/402288721.db2.gz IHFNMYLBOSZHQM-SJORKVTESA-N 2 1 309.498 2.046 10 0 DEAEMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000177051122 402364212 /nfs/dbraw/zinc/36/42/12/402364212.db2.gz LDBRQMLIVKPGMQ-LJQANCHMSA-N 2 1 320.477 2.370 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185806272 402379151 /nfs/dbraw/zinc/37/91/51/402379151.db2.gz LNXQKCALERPWIO-CVEARBPZSA-N 2 1 324.513 2.136 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000245469648 402463936 /nfs/dbraw/zinc/46/39/36/402463936.db2.gz MAXACAXGTWJAQV-GJZGRUSLSA-N 2 1 304.438 2.092 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000245469648 402463939 /nfs/dbraw/zinc/46/39/39/402463939.db2.gz MAXACAXGTWJAQV-GJZGRUSLSA-N 2 1 304.438 2.092 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000245481387 402464658 /nfs/dbraw/zinc/46/46/58/402464658.db2.gz YFIZHTVPGOXAKW-CABCVRRESA-N 2 1 306.454 2.338 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000245481387 402464659 /nfs/dbraw/zinc/46/46/59/402464659.db2.gz YFIZHTVPGOXAKW-CABCVRRESA-N 2 1 306.454 2.338 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000245481388 402464799 /nfs/dbraw/zinc/46/47/99/402464799.db2.gz YFIZHTVPGOXAKW-HUUCEWRRSA-N 2 1 306.454 2.338 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000245481388 402464802 /nfs/dbraw/zinc/46/48/02/402464802.db2.gz YFIZHTVPGOXAKW-HUUCEWRRSA-N 2 1 306.454 2.338 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC1CCC(C)CC1 ZINC000178286583 402479675 /nfs/dbraw/zinc/47/96/75/402479675.db2.gz PDTLNCHHZVKCCE-PREGVCBESA-N 2 1 318.465 2.351 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCC(C)CC1 ZINC000178286583 402479677 /nfs/dbraw/zinc/47/96/77/402479677.db2.gz PDTLNCHHZVKCCE-PREGVCBESA-N 2 1 318.465 2.351 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247284935 402562781 /nfs/dbraw/zinc/56/27/81/402562781.db2.gz KMWDQEHRGAQEDT-ULQDDVLXSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000247284935 402562783 /nfs/dbraw/zinc/56/27/83/402562783.db2.gz KMWDQEHRGAQEDT-ULQDDVLXSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000247284935 402562784 /nfs/dbraw/zinc/56/27/84/402562784.db2.gz KMWDQEHRGAQEDT-ULQDDVLXSA-N 2 1 324.513 2.088 10 0 DEAEMP CCn1nccc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478318 402604191 /nfs/dbraw/zinc/60/41/91/402604191.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 1 313.449 2.252 10 0 DEAEMP CCn1nccc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190478318 402604192 /nfs/dbraw/zinc/60/41/92/402604192.db2.gz OJMDAGVYNWRFAC-QGZVFWFLSA-N 2 1 313.449 2.252 10 0 DEAEMP CCC[C@H](C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180074009 402606259 /nfs/dbraw/zinc/60/62/59/402606259.db2.gz OBALSESBAIBHOO-INIZCTEOSA-N 2 1 309.498 2.299 10 0 DEAEMP CCCn1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000172044000 402637946 /nfs/dbraw/zinc/63/79/46/402637946.db2.gz AMBBUYSHZCPNJY-IYBDPMFKSA-N 2 1 308.470 2.272 10 0 DEAEMP CO[C@@H]1C[NH+](CCCC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251853859 402651005 /nfs/dbraw/zinc/65/10/05/402651005.db2.gz NSPVRTBWVKEIMC-XMTFNYHQSA-N 2 1 312.498 2.480 10 0 DEAEMP CO[C@@H]1C[N@H+](CCCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251853859 402651009 /nfs/dbraw/zinc/65/10/09/402651009.db2.gz NSPVRTBWVKEIMC-XMTFNYHQSA-N 2 1 312.498 2.480 10 0 DEAEMP CO[C@@H]1C[N@@H+](CCCC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000251853859 402651011 /nfs/dbraw/zinc/65/10/11/402651011.db2.gz NSPVRTBWVKEIMC-XMTFNYHQSA-N 2 1 312.498 2.480 10 0 DEAEMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000261811694 402717464 /nfs/dbraw/zinc/71/74/64/402717464.db2.gz HLESAYHWEBYPFY-DLBZAZTESA-N 2 1 315.461 2.237 10 0 DEAEMP COc1ccccc1[C@H]1CNCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261836645 402718023 /nfs/dbraw/zinc/71/80/23/402718023.db2.gz UDEMQCWQYLXAMM-QGZVFWFLSA-N 2 1 303.450 2.031 10 0 DEAEMP COc1ccccc1[C@H]1CNCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261836645 402718025 /nfs/dbraw/zinc/71/80/25/402718025.db2.gz UDEMQCWQYLXAMM-QGZVFWFLSA-N 2 1 303.450 2.031 10 0 DEAEMP C[C@@]1(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC[NH2+]C1 ZINC000261901770 402719447 /nfs/dbraw/zinc/71/94/47/402719447.db2.gz WGFZUQNITZPHHK-MAUKXSAKSA-N 2 1 317.481 2.184 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000173471259 402699014 /nfs/dbraw/zinc/69/90/14/402699014.db2.gz PPMOHVWKRWYWGU-IAGOWNOFSA-N 2 1 307.482 2.192 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000183533949 402774536 /nfs/dbraw/zinc/77/45/36/402774536.db2.gz IFWAKAMVUYIWSD-UHFFFAOYSA-N 2 1 312.417 2.009 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000183690684 402789488 /nfs/dbraw/zinc/78/94/88/402789488.db2.gz MOULBUXCJXIZCN-HNNXBMFYSA-N 2 1 316.449 2.238 10 0 DEAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000333586716 403785708 /nfs/dbraw/zinc/78/57/08/403785708.db2.gz OEGKHKLSAZOBBA-OIISXLGYSA-N 2 1 322.497 2.081 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)n[nH]2)[C@H](C)C1 ZINC000358300024 404758616 /nfs/dbraw/zinc/75/86/16/404758616.db2.gz NFXJECUFCKCNFP-VKJFTORMSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC000358300024 404758617 /nfs/dbraw/zinc/75/86/17/404758617.db2.gz NFXJECUFCKCNFP-VKJFTORMSA-N 2 1 322.497 2.376 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC000358300024 404758618 /nfs/dbraw/zinc/75/86/18/404758618.db2.gz NFXJECUFCKCNFP-VKJFTORMSA-N 2 1 322.497 2.376 10 0 DEAEMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452315 405063468 /nfs/dbraw/zinc/06/34/68/405063468.db2.gz RLDZUHXAJAAYJM-QXAKKESOSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452315 405063473 /nfs/dbraw/zinc/06/34/73/405063473.db2.gz RLDZUHXAJAAYJM-QXAKKESOSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400452315 405063476 /nfs/dbraw/zinc/06/34/76/405063476.db2.gz RLDZUHXAJAAYJM-QXAKKESOSA-N 3 1 301.478 2.486 10 0 DEAEMP c1ccc(N2CCN(CCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000367540213 405078034 /nfs/dbraw/zinc/07/80/34/405078034.db2.gz JHPQXMCODYATCA-KDURUIRLSA-N 2 1 315.461 2.062 10 0 DEAEMP COC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468027 405623377 /nfs/dbraw/zinc/62/33/77/405623377.db2.gz KUWHEGFBGXZEIT-OKYOBFRVSA-N 2 1 318.461 2.169 10 0 DEAEMP c1nc2n(n1)[C@@H](C[NH+]1CCC([NH2+]Cc3ccccc3)CC1)CC2 ZINC000639661358 406195363 /nfs/dbraw/zinc/19/53/63/406195363.db2.gz SYTKTYKOOGOSMT-QGZVFWFLSA-N 2 1 311.433 2.020 10 0 DEAEMP O[C@@]1(C[NH2+]CC[C@@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634722371 406246603 /nfs/dbraw/zinc/24/66/03/406246603.db2.gz OCAYZGMZXQFPNW-HZPDHXFCSA-N 2 1 310.388 2.258 10 0 DEAEMP O[C@@]1(C[NH2+]CC[C@@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722371 406246608 /nfs/dbraw/zinc/24/66/08/406246608.db2.gz OCAYZGMZXQFPNW-HZPDHXFCSA-N 2 1 310.388 2.258 10 0 DEAEMP CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638074376 406555839 /nfs/dbraw/zinc/55/58/39/406555839.db2.gz MDCKXTXSQAHGOB-ZWKOTPCHSA-N 2 1 313.445 2.157 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000173860828 287220939 /nfs/dbraw/zinc/22/09/39/287220939.db2.gz WUUHZXXCNAUQHC-GVDBMIGSSA-N 2 1 322.497 2.129 10 0 DEAEMP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000130602438 196094173 /nfs/dbraw/zinc/09/41/73/196094173.db2.gz CRSUIFRIMQAJBV-CYBMUJFWSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@@H+](CCSc3ccccc3)C2)CC1 ZINC000130806834 196111636 /nfs/dbraw/zinc/11/16/36/196111636.db2.gz UOWYJZUQEGBWCT-INIZCTEOSA-N 2 1 305.491 2.276 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132166769 196232519 /nfs/dbraw/zinc/23/25/19/196232519.db2.gz TZGOQEDSCGSBIJ-RDJZCZTQSA-N 2 1 324.513 2.279 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000379635991 424908026 /nfs/dbraw/zinc/90/80/26/424908026.db2.gz WRIHBCITSSMXNP-RDJZCZTQSA-N 2 1 304.434 2.045 10 0 DEAEMP C[C@H]1C[C@@H]([NH2+]C2COCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000379635991 424908028 /nfs/dbraw/zinc/90/80/28/424908028.db2.gz WRIHBCITSSMXNP-RDJZCZTQSA-N 2 1 304.434 2.045 10 0 DEAEMP c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028423 424912717 /nfs/dbraw/zinc/91/27/17/424912717.db2.gz FAKPXAQLDKFVQP-JKSUJKDBSA-N 2 1 302.418 2.422 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028423 424912719 /nfs/dbraw/zinc/91/27/19/424912719.db2.gz FAKPXAQLDKFVQP-JKSUJKDBSA-N 2 1 302.418 2.422 10 0 DEAEMP C[C@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000398035623 424922599 /nfs/dbraw/zinc/92/25/99/424922599.db2.gz PNNWLXKYOXANKM-IWCVFHTOSA-N 2 1 315.461 2.283 10 0 DEAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381841 425591169 /nfs/dbraw/zinc/59/11/69/425591169.db2.gz MXBRDCXHIBNKPN-WBVHZDCISA-N 2 1 315.461 2.013 10 0 DEAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381837 425591196 /nfs/dbraw/zinc/59/11/96/425591196.db2.gz MXBRDCXHIBNKPN-NVXWUHKLSA-N 2 1 315.461 2.013 10 0 DEAEMP Cc1[nH+]c(N2CCc3ccccc3C2)nc(N2CC[NH2+]CC2)c1C ZINC000045947565 274842892 /nfs/dbraw/zinc/84/28/92/274842892.db2.gz ZJCCUTWRHFORGA-UHFFFAOYSA-N 2 1 323.444 2.066 10 0 DEAEMP CC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494473 277097523 /nfs/dbraw/zinc/09/75/23/277097523.db2.gz MAQOLAFSNRQDSE-YJBOKZPZSA-N 2 1 310.482 2.303 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246188791 527441538 /nfs/dbraw/zinc/44/15/38/527441538.db2.gz CXKYGYZPSWPXPL-XIRDDKMYSA-N 2 1 318.465 2.208 10 0 DEAEMP CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309738541 625548555 /nfs/dbraw/zinc/54/85/55/625548555.db2.gz VDAOSVVSDRHDJX-WMZOPIPTSA-N 2 1 303.450 2.237 10 0 DEAEMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)c1ccccc1 ZINC000066242291 625056568 /nfs/dbraw/zinc/05/65/68/625056568.db2.gz SIELQTRDKIYNAL-DLBZAZTESA-N 2 1 318.465 2.153 10 0 DEAEMP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399492 647473539 /nfs/dbraw/zinc/47/35/39/647473539.db2.gz KTPGSOYGSOWMBY-AEFFLSMTSA-N 2 1 320.477 2.405 10 0 DEAEMP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399492 647473541 /nfs/dbraw/zinc/47/35/41/647473541.db2.gz KTPGSOYGSOWMBY-AEFFLSMTSA-N 2 1 320.477 2.405 10 0 DEAEMP [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379659456 685393159 /nfs/dbraw/zinc/39/31/59/685393159.db2.gz ARYYMYQGYZXCJF-QZTJIDSGSA-N 2 1 315.461 2.285 10 0 DEAEMP C[C@@H](CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[N@@H+](C)Cc1ccccc1 ZINC000713419570 792221509 /nfs/dbraw/zinc/22/15/09/792221509.db2.gz DBUYWBNYZMJWMD-RUENVJTFSA-N 2 1 315.461 2.141 10 0 DEAEMP Cn1ccc2c1nc[nH+]c2Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082359434 185177793 /nfs/dbraw/zinc/17/77/93/185177793.db2.gz AJNYLXGBPAJJLW-UHFFFAOYSA-N 2 1 322.416 2.464 10 0 DEAEMP C[NH2+][C@@H]1C(=O)Nc2cc(OCC[NH+]3CCCC3)c(Cl)cc21 ZINC000092770043 185339369 /nfs/dbraw/zinc/33/93/69/185339369.db2.gz ZIEAAXSPVYCRDF-AWEZNQCLSA-N 2 1 309.797 2.027 10 0 DEAEMP C[NH+](C)C1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000193822748 539715510 /nfs/dbraw/zinc/71/55/10/539715510.db2.gz DGGPBQIVNQGTGZ-UHFFFAOYSA-N 2 1 323.868 2.372 10 0 DEAEMP C[NH2+]Cc1cn(CC[NH+]2CCOCC2)c2cc(Cl)ccc12 ZINC000164012531 186145880 /nfs/dbraw/zinc/14/58/80/186145880.db2.gz LOJBTIVFKHXSHI-UHFFFAOYSA-N 2 1 307.825 2.346 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073653911 191336363 /nfs/dbraw/zinc/33/63/63/191336363.db2.gz POMKOBAUCWGIMM-HNSVSWJLSA-N 2 1 310.486 2.031 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382727582 540123355 /nfs/dbraw/zinc/12/33/55/540123355.db2.gz WCJZPFPPVDQKOQ-FUHWJXTLSA-N 2 1 317.477 2.483 10 0 DEAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390871149 540135472 /nfs/dbraw/zinc/13/54/72/540135472.db2.gz GEJOIMPWFBOQNJ-MSOLQXFVSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390871149 540135474 /nfs/dbraw/zinc/13/54/74/540135474.db2.gz GEJOIMPWFBOQNJ-MSOLQXFVSA-N 2 1 320.477 2.274 10 0 DEAEMP C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000398065393 540140596 /nfs/dbraw/zinc/14/05/96/540140596.db2.gz HLLNVASRKYBADY-HOCLYGCPSA-N 2 1 301.434 2.037 10 0 DEAEMP CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381617207 356672110 /nfs/dbraw/zinc/67/21/10/356672110.db2.gz ZGSOJPMGACQASU-QGZVFWFLSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359667815 283338289 /nfs/dbraw/zinc/33/82/89/283338289.db2.gz PWKAWYKJCMXOSB-IRXDYDNUSA-N 2 1 307.482 2.195 10 0 DEAEMP CCC[NH2+][C@H](CCCS(=O)(=O)CC)CC[NH+](CC)CC ZINC000091716725 193096644 /nfs/dbraw/zinc/09/66/44/193096644.db2.gz ITSQJQNATSGKBS-OAHLLOKOSA-N 2 1 306.516 2.301 10 0 DEAEMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182199610 296126860 /nfs/dbraw/zinc/12/68/60/296126860.db2.gz GBYFRBRWFRGCMA-UKRRQHHQSA-N 2 1 310.463 2.225 10 0 DEAEMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000182199610 296126861 /nfs/dbraw/zinc/12/68/61/296126861.db2.gz GBYFRBRWFRGCMA-UKRRQHHQSA-N 2 1 310.463 2.225 10 0 DEAEMP [NH3+]CCCC[N@H+]1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094051882 193341840 /nfs/dbraw/zinc/34/18/40/193341840.db2.gz YOKRZMMXJGGNHA-UHFFFAOYSA-N 2 1 300.809 2.125 10 0 DEAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061940918 184197267 /nfs/dbraw/zinc/19/72/67/184197267.db2.gz LCXDYJIMHKNIIA-HZSPNIEDSA-N 2 1 307.404 2.320 10 0 DEAEMP Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000062092581 184205626 /nfs/dbraw/zinc/20/56/26/184205626.db2.gz YHKPNMZQJSQICL-KRWDZBQOSA-N 2 1 317.477 2.416 10 0 DEAEMP C[C@H]1C[C@H](n2c3c(nc2C(F)(F)F)C[NH2+]CC3)CC[N@H+]1C ZINC000158927963 197312125 /nfs/dbraw/zinc/31/21/25/197312125.db2.gz IOBNPRMNIZEBBW-VHSXEESVSA-N 2 1 302.344 2.203 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCOC3=O)C2)[nH+]1 ZINC000120358158 195150963 /nfs/dbraw/zinc/15/09/63/195150963.db2.gz RTUAEUYUBRRFRT-LSDHHAIUSA-N 2 1 303.406 2.077 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3=O)C2)[nH+]1 ZINC000120358158 195150965 /nfs/dbraw/zinc/15/09/65/195150965.db2.gz RTUAEUYUBRRFRT-LSDHHAIUSA-N 2 1 303.406 2.077 10 0 DEAEMP C[N@H+]1CC[C@@H]2[C@@H](C[C@H](C[NH+]3CCCC3)N2c2nccs2)C1 ZINC000248148468 257108545 /nfs/dbraw/zinc/10/85/45/257108545.db2.gz SMOMDICIHTXCCV-RRFJBIMHSA-N 2 1 306.479 2.138 10 0 DEAEMP C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000358243146 133130782 /nfs/dbraw/zinc/13/07/82/133130782.db2.gz WONLCIUBSXUTSJ-AWEZNQCLSA-N 2 1 302.422 2.211 10 0 DEAEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362721932 133247998 /nfs/dbraw/zinc/24/79/98/133247998.db2.gz DCQRJNWSCFYMMS-QGZVFWFLSA-N 2 1 309.498 2.489 10 0 DEAEMP C[N@H+](Cc1ccc(F)nc1)C1CCN(CCn2cccn2)CC1 ZINC000189339311 145026370 /nfs/dbraw/zinc/02/63/70/145026370.db2.gz PXUGFLIKZBHXKB-UHFFFAOYSA-N 2 1 317.412 2.014 10 0 DEAEMP C[N@@H+](Cc1ccc(F)nc1)C1CCN(CCn2cccn2)CC1 ZINC000189339311 145026372 /nfs/dbraw/zinc/02/63/72/145026372.db2.gz PXUGFLIKZBHXKB-UHFFFAOYSA-N 2 1 317.412 2.014 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1 ZINC000246773045 145113841 /nfs/dbraw/zinc/11/38/41/145113841.db2.gz OGJJTCQYKDHRKX-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000246773045 145113843 /nfs/dbraw/zinc/11/38/43/145113843.db2.gz OGJJTCQYKDHRKX-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000246773045 145113844 /nfs/dbraw/zinc/11/38/44/145113844.db2.gz OGJJTCQYKDHRKX-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1 ZINC000246773045 145113847 /nfs/dbraw/zinc/11/38/47/145113847.db2.gz OGJJTCQYKDHRKX-FGTMMUONSA-N 2 1 320.477 2.458 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247280252 145131641 /nfs/dbraw/zinc/13/16/41/145131641.db2.gz KHEOIAXAVSPVJB-UCHQMPSGSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247280252 145131644 /nfs/dbraw/zinc/13/16/44/145131644.db2.gz KHEOIAXAVSPVJB-UCHQMPSGSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247280252 145131646 /nfs/dbraw/zinc/13/16/46/145131646.db2.gz KHEOIAXAVSPVJB-UCHQMPSGSA-N 2 1 322.497 2.030 10 0 DEAEMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000248849483 145170316 /nfs/dbraw/zinc/17/03/16/145170316.db2.gz PTNYFNCCCGWDBZ-PMPSAXMXSA-N 2 1 305.422 2.245 10 0 DEAEMP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCCn1cc[nH+]c1C ZINC000248849483 145170319 /nfs/dbraw/zinc/17/03/19/145170319.db2.gz PTNYFNCCCGWDBZ-PMPSAXMXSA-N 2 1 305.422 2.245 10 0 DEAEMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854656 145233611 /nfs/dbraw/zinc/23/36/11/145233611.db2.gz DZWCZLUAAOKALW-CZUORRHYSA-N 2 1 307.413 2.206 10 0 DEAEMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854656 145233612 /nfs/dbraw/zinc/23/36/12/145233612.db2.gz DZWCZLUAAOKALW-CZUORRHYSA-N 2 1 307.413 2.206 10 0 DEAEMP C[C@@H]1C[C@@H](CCNC2=[NH+]CCCN2)C[N@H+]1Cc1ccccc1 ZINC000261862064 145234722 /nfs/dbraw/zinc/23/47/22/145234722.db2.gz NHVGXAAXOQTVDJ-NVXWUHKLSA-N 2 1 300.450 2.226 10 0 DEAEMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261934830 145244010 /nfs/dbraw/zinc/24/40/10/145244010.db2.gz MDAZRTDAYKCUSB-BBWFWOEESA-N 2 1 310.482 2.330 10 0 DEAEMP COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261941005 145245068 /nfs/dbraw/zinc/24/50/68/145245068.db2.gz MUQMMLHMTHWPAR-KSZLIROESA-N 2 1 304.434 2.080 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261994019 145250805 /nfs/dbraw/zinc/25/08/05/145250805.db2.gz TUXDRXFBKUQVOM-VVLHAWIVSA-N 2 1 324.852 2.120 10 0 DEAEMP CN1CC[C@@H](C[N@@H+](C)CC2CC[NH2+]CC2)[C@@H]1c1cccnc1 ZINC000262003817 145252282 /nfs/dbraw/zinc/25/22/82/145252282.db2.gz UKTPSFBRVAXPFY-ROUUACIJSA-N 2 1 302.466 2.006 10 0 DEAEMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262324816 145276832 /nfs/dbraw/zinc/27/68/32/145276832.db2.gz FXRCLKIFNDVHKQ-JENIJYKNSA-N 2 1 319.493 2.147 10 0 DEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203240 145335997 /nfs/dbraw/zinc/33/59/97/145335997.db2.gz JKAVNQODMKJDJF-CABZTGNLSA-N 2 1 308.731 2.029 10 0 DEAEMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cnc4cnccn34)C2)c1 ZINC000371374147 148094260 /nfs/dbraw/zinc/09/42/60/148094260.db2.gz PQBRFYWQZBETMD-HNNXBMFYSA-N 2 1 322.416 2.367 10 0 DEAEMP OCC[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013732754 401803918 /nfs/dbraw/zinc/80/39/18/401803918.db2.gz XDPTVYJRDLCJQM-UHFFFAOYSA-N 2 1 314.429 2.327 10 0 DEAEMP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cccc(F)c2n1 ZINC000130260771 401825026 /nfs/dbraw/zinc/82/50/26/401825026.db2.gz WQPXTAIIOABKJS-HZPDHXFCSA-N 2 1 301.365 2.202 10 0 DEAEMP Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)c2cccc(F)c2n1 ZINC000130260771 401825029 /nfs/dbraw/zinc/82/50/29/401825029.db2.gz WQPXTAIIOABKJS-HZPDHXFCSA-N 2 1 301.365 2.202 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000123265418 402118956 /nfs/dbraw/zinc/11/89/56/402118956.db2.gz OGICMNJKIHYKKL-DOTOQJQBSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000123265418 402118958 /nfs/dbraw/zinc/11/89/58/402118958.db2.gz OGICMNJKIHYKKL-DOTOQJQBSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000123265418 402118959 /nfs/dbraw/zinc/11/89/59/402118959.db2.gz OGICMNJKIHYKKL-DOTOQJQBSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000123265418 402118960 /nfs/dbraw/zinc/11/89/60/402118960.db2.gz OGICMNJKIHYKKL-DOTOQJQBSA-N 2 1 303.450 2.060 10 0 DEAEMP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000108894867 402263813 /nfs/dbraw/zinc/26/38/13/402263813.db2.gz WVTHAMUXIRQZSP-XHSDSOJGSA-N 2 1 307.482 2.335 10 0 DEAEMP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903275 402210577 /nfs/dbraw/zinc/21/05/77/402210577.db2.gz ACZHZSWPWYPALC-GOSISDBHSA-N 2 1 320.477 2.135 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177061252 402365623 /nfs/dbraw/zinc/36/56/23/402365623.db2.gz RYPPIMZHDPERCW-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177061252 402365625 /nfs/dbraw/zinc/36/56/25/402365625.db2.gz RYPPIMZHDPERCW-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177061252 402365627 /nfs/dbraw/zinc/36/56/27/402365627.db2.gz RYPPIMZHDPERCW-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177061252 402365628 /nfs/dbraw/zinc/36/56/28/402365628.db2.gz RYPPIMZHDPERCW-KZNAEPCWSA-N 2 1 320.477 2.458 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C12CCOCC2 ZINC000186319029 402420255 /nfs/dbraw/zinc/42/02/55/402420255.db2.gz RLGUOUMOMUYLEX-HYVNUMGLSA-N 2 1 321.465 2.391 10 0 DEAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000237887778 402424591 /nfs/dbraw/zinc/42/45/91/402424591.db2.gz WYPUUSPYZJWQFQ-IRXDYDNUSA-N 2 1 307.482 2.228 10 0 DEAEMP CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)C ZINC000162676336 402428189 /nfs/dbraw/zinc/42/81/89/402428189.db2.gz VNLVIJMMPCXJIH-DJIMGWMZSA-N 2 1 307.482 2.192 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCN(C(C)C)C3=O)C2)[nH+]1 ZINC000245459256 402462747 /nfs/dbraw/zinc/46/27/47/402462747.db2.gz DJTYJQNZLRTCEI-CVEARBPZSA-N 2 1 316.449 2.133 10 0 DEAEMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245859854 402491776 /nfs/dbraw/zinc/49/17/76/402491776.db2.gz KOUPXTWVSDHLJM-HOTGVXAUSA-N 2 1 320.481 2.225 10 0 DEAEMP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245859854 402491779 /nfs/dbraw/zinc/49/17/79/402491779.db2.gz KOUPXTWVSDHLJM-HOTGVXAUSA-N 2 1 320.481 2.225 10 0 DEAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000246756386 402543701 /nfs/dbraw/zinc/54/37/01/402543701.db2.gz BPXPZWKRLJWZRX-LTIDMASMSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000246756386 402543704 /nfs/dbraw/zinc/54/37/04/402543704.db2.gz BPXPZWKRLJWZRX-LTIDMASMSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000246756386 402543706 /nfs/dbraw/zinc/54/37/06/402543706.db2.gz BPXPZWKRLJWZRX-LTIDMASMSA-N 2 1 324.513 2.135 10 0 DEAEMP CCOC(=O)CCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171037701 402551684 /nfs/dbraw/zinc/55/16/84/402551684.db2.gz SDPUJASKBREXRQ-OAHLLOKOSA-N 2 1 305.422 2.467 10 0 DEAEMP CCOC(=O)CCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171037701 402551687 /nfs/dbraw/zinc/55/16/87/402551687.db2.gz SDPUJASKBREXRQ-OAHLLOKOSA-N 2 1 305.422 2.467 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247125250 402557633 /nfs/dbraw/zinc/55/76/33/402557633.db2.gz RZPBPZAVXDACLB-QBPKDAKJSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327952 402525197 /nfs/dbraw/zinc/52/51/97/402525197.db2.gz CPXMDWUDKAMSFD-DOTOQJQBSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327952 402525201 /nfs/dbraw/zinc/52/52/01/402525201.db2.gz CPXMDWUDKAMSFD-DOTOQJQBSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](C)C1 ZINC000246327952 402525203 /nfs/dbraw/zinc/52/52/03/402525203.db2.gz CPXMDWUDKAMSFD-DOTOQJQBSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246383547 402528098 /nfs/dbraw/zinc/52/80/98/402528098.db2.gz IMGFBEGYCBZNKL-IKGGRYGDSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246383547 402528099 /nfs/dbraw/zinc/52/80/99/402528099.db2.gz IMGFBEGYCBZNKL-IKGGRYGDSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246383547 402528102 /nfs/dbraw/zinc/52/81/02/402528102.db2.gz IMGFBEGYCBZNKL-IKGGRYGDSA-N 2 1 324.513 2.090 10 0 DEAEMP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248489737 402593105 /nfs/dbraw/zinc/59/31/05/402593105.db2.gz NCVZOYDRTZXAPJ-GVDBMIGSSA-N 2 1 324.513 2.375 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000252537926 402658466 /nfs/dbraw/zinc/65/84/66/402658466.db2.gz BVUQGZAQZXJXDB-DOTOQJQBSA-N 2 1 324.513 2.375 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2c1NCC2 ZINC000261787644 402716941 /nfs/dbraw/zinc/71/69/41/402716941.db2.gz FYZMFDCLBNZBAJ-SQNIBIBYSA-N 2 1 315.461 2.338 10 0 DEAEMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172608196 402666169 /nfs/dbraw/zinc/66/61/69/402666169.db2.gz ZEEFEJRALYSKEX-QGZVFWFLSA-N 2 1 322.497 2.132 10 0 DEAEMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000261988338 402720835 /nfs/dbraw/zinc/72/08/35/402720835.db2.gz SRJKOSIKODOBEE-IXDOHACOSA-N 2 1 301.434 2.019 10 0 DEAEMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000261988338 402720837 /nfs/dbraw/zinc/72/08/37/402720837.db2.gz SRJKOSIKODOBEE-IXDOHACOSA-N 2 1 301.434 2.019 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000184242979 402830053 /nfs/dbraw/zinc/83/00/53/402830053.db2.gz IVUZDKMKGAQBBU-MRXNPFEDSA-N 2 1 318.465 2.482 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)[nH+]1 ZINC000195516128 402849570 /nfs/dbraw/zinc/84/95/70/402849570.db2.gz BULJMHSSRSHYBL-OAHLLOKOSA-N 2 1 316.449 2.183 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767672 403111741 /nfs/dbraw/zinc/11/17/41/403111741.db2.gz RAOJHBZOBSPHBA-NVXWUHKLSA-N 2 1 317.477 2.401 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000268767672 403111743 /nfs/dbraw/zinc/11/17/43/403111743.db2.gz RAOJHBZOBSPHBA-NVXWUHKLSA-N 2 1 317.477 2.401 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000333358956 403733776 /nfs/dbraw/zinc/73/37/76/403733776.db2.gz KUBZDLAYYJZTRV-ARFHVFGLSA-N 2 1 310.486 2.018 10 0 DEAEMP CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309702697 403961879 /nfs/dbraw/zinc/96/18/79/403961879.db2.gz GTJVSIVCGPOZQT-ZWKOTPCHSA-N 2 1 315.461 2.109 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396334510 405055876 /nfs/dbraw/zinc/05/58/76/405055876.db2.gz TUUCSBHWNWNPQI-NJAFHUGGSA-N 2 1 315.461 2.094 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396334510 405055883 /nfs/dbraw/zinc/05/58/83/405055883.db2.gz TUUCSBHWNWNPQI-NJAFHUGGSA-N 2 1 315.461 2.094 10 0 DEAEMP c1nnc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364352 405333465 /nfs/dbraw/zinc/33/34/65/405333465.db2.gz QPLDKAXPOFIWAK-CABCVRRESA-N 2 1 303.454 2.182 10 0 DEAEMP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852533 405715445 /nfs/dbraw/zinc/71/54/45/405715445.db2.gz YCYNIYOTFCVOAY-SJLPKXTDSA-N 2 1 317.477 2.403 10 0 DEAEMP CCn1nncc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459364883 405874115 /nfs/dbraw/zinc/87/41/15/405874115.db2.gz SVPAMRFMRSXFOU-QGZVFWFLSA-N 2 1 313.449 2.252 10 0 DEAEMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639106905 405886786 /nfs/dbraw/zinc/88/67/86/405886786.db2.gz XBHVYBQOEYMRBM-RTBURBONSA-N 2 1 318.461 2.436 10 0 DEAEMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000639106905 405886793 /nfs/dbraw/zinc/88/67/93/405886793.db2.gz XBHVYBQOEYMRBM-RTBURBONSA-N 2 1 318.461 2.436 10 0 DEAEMP c1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc(N2CCCCC2)[nH+]1 ZINC000634812715 406295820 /nfs/dbraw/zinc/29/58/20/406295820.db2.gz PNTKXLINXVFNOL-HUUCEWRRSA-N 2 1 301.438 2.045 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638119774 406581037 /nfs/dbraw/zinc/58/10/37/406581037.db2.gz VTAQFYFIKLUILD-OLMNPRSZSA-N 2 1 313.445 2.061 10 0 DEAEMP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638307213 406688473 /nfs/dbraw/zinc/68/84/73/406688473.db2.gz HVEGRDCMZWOGJT-QGTPRVQTSA-N 2 1 313.445 2.061 10 0 DEAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000194895966 424879763 /nfs/dbraw/zinc/87/97/63/424879763.db2.gz WOOIQXBVEDEXDO-ZBFHGGJFSA-N 2 1 323.485 2.103 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380937968 424908948 /nfs/dbraw/zinc/90/89/48/424908948.db2.gz KYKCLCPYVIMOFR-OKZBNKHCSA-N 2 1 315.461 2.142 10 0 DEAEMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000190019595 267700029 /nfs/dbraw/zinc/70/00/29/267700029.db2.gz ZLVPFRCXWPMSQI-MRXNPFEDSA-N 2 1 312.502 2.090 10 0 DEAEMP CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261926941 276373504 /nfs/dbraw/zinc/37/35/04/276373504.db2.gz LFHALFCLUMGEMT-USXIJHARSA-N 2 1 322.424 2.471 10 0 DEAEMP CC(C)(CNC(=O)N1CCC[N@H+](C2CC2)CC1)[NH+]1CCCCC1 ZINC000194651844 277300228 /nfs/dbraw/zinc/30/02/28/277300228.db2.gz QNYVKJSIWIZDAI-UHFFFAOYSA-N 2 1 322.497 2.131 10 0 DEAEMP CC(C)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000366372721 519829443 /nfs/dbraw/zinc/82/94/43/519829443.db2.gz LVBUIHFPZPMAOC-CEXWTWQISA-N 2 1 302.462 2.457 10 0 DEAEMP CC(C)[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000366372721 519829444 /nfs/dbraw/zinc/82/94/44/519829444.db2.gz LVBUIHFPZPMAOC-CEXWTWQISA-N 2 1 302.462 2.457 10 0 DEAEMP CC(C)[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000366372721 519829445 /nfs/dbraw/zinc/82/94/45/519829445.db2.gz LVBUIHFPZPMAOC-CEXWTWQISA-N 2 1 302.462 2.457 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246266399 522591028 /nfs/dbraw/zinc/59/10/28/522591028.db2.gz LLPOIRPPLHJBNQ-RRFJBIMHSA-N 2 1 304.438 2.127 10 0 DEAEMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000249098068 524171489 /nfs/dbraw/zinc/17/14/89/524171489.db2.gz UIIOSEYSKQWTLX-ODLRDIKDSA-N 2 1 315.461 2.282 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000358108318 535447759 /nfs/dbraw/zinc/44/77/59/535447759.db2.gz VRQQEYGSMWDWFN-HNNXBMFYSA-N 2 1 322.497 2.058 10 0 DEAEMP CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550898 535975838 /nfs/dbraw/zinc/97/58/38/535975838.db2.gz PXDNIBWVWWABJR-FUHWJXTLSA-N 2 1 315.461 2.109 10 0 DEAEMP CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000310008657 625391670 /nfs/dbraw/zinc/39/16/70/625391670.db2.gz JDKDKKAPAFNJEA-PLNGDYQASA-N 2 1 309.454 2.284 10 0 DEAEMP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C2 ZINC000262023971 637027953 /nfs/dbraw/zinc/02/79/53/637027953.db2.gz WVESWYUBVQJQQB-WJFTUGDTSA-N 2 1 300.446 2.291 10 0 DEAEMP C[C@H]1CCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000742242128 638054305 /nfs/dbraw/zinc/05/43/05/638054305.db2.gz SGTJWOOEGSWXIV-INIZCTEOSA-N 2 1 315.461 2.497 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747532808 638448135 /nfs/dbraw/zinc/44/81/35/638448135.db2.gz CLDYARDYGCYOLX-UHFFFAOYSA-N 2 1 301.475 2.421 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261545473 646981134 /nfs/dbraw/zinc/98/11/34/646981134.db2.gz KBSKPSJORUVOTR-WBVHZDCISA-N 2 1 303.450 2.155 10 0 DEAEMP O=C1OCCN1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000731103790 647447297 /nfs/dbraw/zinc/44/72/97/647447297.db2.gz IJUCVMLVCNBOMN-INIZCTEOSA-N 2 1 309.454 2.027 10 0 DEAEMP O=C1OCCN1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000731103790 647447302 /nfs/dbraw/zinc/44/73/02/647447302.db2.gz IJUCVMLVCNBOMN-INIZCTEOSA-N 2 1 309.454 2.027 10 0 DEAEMP COCC[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067934857 648394085 /nfs/dbraw/zinc/39/40/85/648394085.db2.gz KARZHYXVTXBCPL-QGZVFWFLSA-N 3 1 323.525 2.247 10 0 DEAEMP COCCN1CCC[C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067934857 648394087 /nfs/dbraw/zinc/39/40/87/648394087.db2.gz KARZHYXVTXBCPL-QGZVFWFLSA-N 2 1 323.525 2.247 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000724036826 777225220 /nfs/dbraw/zinc/22/52/20/777225220.db2.gz QKDMZLFKEXNGII-OPRDCNLKSA-N 2 1 304.303 2.007 10 0 DEAEMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000724036826 777225224 /nfs/dbraw/zinc/22/52/24/777225224.db2.gz QKDMZLFKEXNGII-OPRDCNLKSA-N 2 1 304.303 2.007 10 0 DEAEMP Cc1cc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000397915447 790230843 /nfs/dbraw/zinc/23/08/43/790230843.db2.gz GMYHMLXELQMUBR-GOSISDBHSA-N 2 1 311.433 2.086 10 0 DEAEMP COCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619790 792978489 /nfs/dbraw/zinc/97/84/89/792978489.db2.gz HWCXXLAXXNRPHY-OKYOBFRVSA-N 2 1 318.461 2.027 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748598 1086334164 /nfs/dbraw/zinc/33/41/64/1086334164.db2.gz BPULPXGLKFHHRV-YJNKXOJESA-N 2 1 311.470 2.457 10 0 DEAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000700748598 1086334177 /nfs/dbraw/zinc/33/41/77/1086334177.db2.gz BPULPXGLKFHHRV-YJNKXOJESA-N 2 1 311.470 2.457 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702119778 1086405328 /nfs/dbraw/zinc/40/53/28/1086405328.db2.gz HQNCYHPJDFJGHA-BTHPGYMESA-N 2 1 313.489 2.296 10 0 DEAEMP COC(=O)[C@](C)([NH3+])CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435181 185250207 /nfs/dbraw/zinc/25/02/07/185250207.db2.gz VNKCMPSHTDTLIG-WCQYABFASA-N 2 1 310.360 2.321 10 0 DEAEMP COC(=O)[C@](C)([NH3+])CCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088435181 185250208 /nfs/dbraw/zinc/25/02/08/185250208.db2.gz VNKCMPSHTDTLIG-WCQYABFASA-N 2 1 310.360 2.321 10 0 DEAEMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1C ZINC000189504036 282312076 /nfs/dbraw/zinc/31/20/76/282312076.db2.gz OOEKVSTZIXJJIW-QWRGUYRKSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1C ZINC000189504036 282312077 /nfs/dbraw/zinc/31/20/77/282312077.db2.gz OOEKVSTZIXJJIW-QWRGUYRKSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189504036 282312078 /nfs/dbraw/zinc/31/20/78/282312078.db2.gz OOEKVSTZIXJJIW-QWRGUYRKSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1C ZINC000189504036 282312079 /nfs/dbraw/zinc/31/20/79/282312079.db2.gz OOEKVSTZIXJJIW-QWRGUYRKSA-N 2 1 300.340 2.318 10 0 DEAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000181704534 539652642 /nfs/dbraw/zinc/65/26/42/539652642.db2.gz GNIDFDJYXUPLAY-MAUKXSAKSA-N 2 1 305.441 2.426 10 0 DEAEMP C[C@H]1C[NH+]2CCC[C@@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181704534 539652645 /nfs/dbraw/zinc/65/26/45/539652645.db2.gz GNIDFDJYXUPLAY-MAUKXSAKSA-N 2 1 305.441 2.426 10 0 DEAEMP C[C@H]1C[NH+]2CCC[C@@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000181704534 539652650 /nfs/dbraw/zinc/65/26/50/539652650.db2.gz GNIDFDJYXUPLAY-MAUKXSAKSA-N 2 1 305.441 2.426 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152428262 186072144 /nfs/dbraw/zinc/07/21/44/186072144.db2.gz AUZLDRLMEDLJKA-BBRMVZONSA-N 2 1 312.417 2.452 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000172179143 198052529 /nfs/dbraw/zinc/05/25/29/198052529.db2.gz JWLBDBMIPHLSKL-CABCVRRESA-N 2 1 312.502 2.136 10 0 DEAEMP C[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccccc1 ZINC000333523202 539962373 /nfs/dbraw/zinc/96/23/73/539962373.db2.gz GXEQXQMKQKFJQI-BACDZXNISA-N 2 1 316.449 2.001 10 0 DEAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262662818 535259402 /nfs/dbraw/zinc/25/94/02/535259402.db2.gz HHGLLMVOTYQRSU-YVSFHVDLSA-N 2 1 307.482 2.097 10 0 DEAEMP C[C@@H]([NH2+]Cc1nn(C)cc1Br)C1CC[NH+](C)CC1 ZINC000393346297 540138145 /nfs/dbraw/zinc/13/81/45/540138145.db2.gz CNGQBZGEVMPKCM-SNVBAGLBSA-N 2 1 315.259 2.003 10 0 DEAEMP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404296038 540144550 /nfs/dbraw/zinc/14/45/50/540144550.db2.gz CYBVNEGOVQDBJR-HPFXQQBRSA-N 2 1 315.461 2.106 10 0 DEAEMP CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000130513429 355843229 /nfs/dbraw/zinc/84/32/29/355843229.db2.gz LCQJOLZDOXXZGA-NPYXIHBLSA-N 2 1 301.434 2.036 10 0 DEAEMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000591457676 357726343 /nfs/dbraw/zinc/72/63/43/357726343.db2.gz FRGYBTYSZYZVTI-SJORKVTESA-N 2 1 307.482 2.053 10 0 DEAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)CC(F)(F)F)C2)[nH+]1 ZINC000189367271 200388975 /nfs/dbraw/zinc/38/89/75/200388975.db2.gz MKTBBXLYOJNYQH-QWHCGFSZSA-N 2 1 317.355 2.437 10 0 DEAEMP C[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1csc(Br)c1 ZINC000091313902 193037768 /nfs/dbraw/zinc/03/77/68/193037768.db2.gz XCXUFJWSQPVBKB-LLVKDONJSA-N 2 1 319.268 2.321 10 0 DEAEMP CCOC(=O)c1nc(C[N@H+](CC)C2CCC([NH3+])CC2)cs1 ZINC000091851017 193118253 /nfs/dbraw/zinc/11/82/53/193118253.db2.gz XZBHCQJNKGOXPM-UHFFFAOYSA-N 2 1 311.451 2.412 10 0 DEAEMP CCOC(=O)c1nc(C[N@@H+](CC)C2CCC([NH3+])CC2)cs1 ZINC000091851017 193118254 /nfs/dbraw/zinc/11/82/54/193118254.db2.gz XZBHCQJNKGOXPM-UHFFFAOYSA-N 2 1 311.451 2.412 10 0 DEAEMP c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)S2 ZINC000092260472 193182463 /nfs/dbraw/zinc/18/24/63/193182463.db2.gz JOYVDGJGLPTXOE-OWCLPIDISA-N 2 1 304.459 2.156 10 0 DEAEMP c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)S2 ZINC000092260472 193182465 /nfs/dbraw/zinc/18/24/65/193182465.db2.gz JOYVDGJGLPTXOE-OWCLPIDISA-N 2 1 304.459 2.156 10 0 DEAEMP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093132628 193205757 /nfs/dbraw/zinc/20/57/57/193205757.db2.gz JYQLREJWWKPYFL-GOSISDBHSA-N 2 1 317.477 2.297 10 0 DEAEMP CC(C)[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638893 193387707 /nfs/dbraw/zinc/38/77/07/193387707.db2.gz DRDWJAHEYCUTFR-CVEARBPZSA-N 2 1 316.511 2.052 10 0 DEAEMP CCC[NH2+][C@H]1[C@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430074 193368596 /nfs/dbraw/zinc/36/85/96/193368596.db2.gz JXNUJKVLOXHSGV-KBPBESRZSA-N 2 1 300.487 2.261 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH2+]CCc1cccs1 ZINC000094443938 193370323 /nfs/dbraw/zinc/37/03/23/193370323.db2.gz FMRIQFDEAYDQOG-HZPDHXFCSA-N 2 1 307.507 2.439 10 0 DEAEMP C[C@H]1SCCC[C@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000094479197 193372935 /nfs/dbraw/zinc/37/29/35/193372935.db2.gz KDWATKSQKWYTSM-NVXWUHKLSA-N 2 1 311.539 2.407 10 0 DEAEMP Cc1ccc([C@H](C)[N@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508132 183085413 /nfs/dbraw/zinc/08/54/13/183085413.db2.gz CLJKQGIHZHGMPA-UONOGXRCSA-N 2 1 307.463 2.014 10 0 DEAEMP C[N@@H+]1CCC[C@@H](Nc2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000040716157 183122702 /nfs/dbraw/zinc/12/27/02/183122702.db2.gz NLMMXGBOSUINNB-LLVKDONJSA-N 2 1 300.431 2.375 10 0 DEAEMP C[N@H+]1CCC[C@@H](Nc2c(C(N)=S)c[nH+]c3ccccc32)C1 ZINC000040716157 183122703 /nfs/dbraw/zinc/12/27/03/183122703.db2.gz NLMMXGBOSUINNB-LLVKDONJSA-N 2 1 300.431 2.375 10 0 DEAEMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000104867314 194048867 /nfs/dbraw/zinc/04/88/67/194048867.db2.gz FPRDFZKZIQPRDT-IRXDYDNUSA-N 2 1 303.450 2.280 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000105852814 194146860 /nfs/dbraw/zinc/14/68/60/194146860.db2.gz GVAUMRZHBWMOMV-HOTGVXAUSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000105852814 194146861 /nfs/dbraw/zinc/14/68/61/194146861.db2.gz GVAUMRZHBWMOMV-HOTGVXAUSA-N 2 1 318.465 2.483 10 0 DEAEMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Br)c(N)c1 ZINC000159356938 197347376 /nfs/dbraw/zinc/34/73/76/197347376.db2.gz KWWMJJNRQRKTFV-UHFFFAOYSA-N 2 1 300.244 2.415 10 0 DEAEMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Br)c(N)c1 ZINC000159356938 197347378 /nfs/dbraw/zinc/34/73/78/197347378.db2.gz KWWMJJNRQRKTFV-UHFFFAOYSA-N 2 1 300.244 2.415 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CCCOC)C(=O)OCC ZINC000062034756 184202875 /nfs/dbraw/zinc/20/28/75/184202875.db2.gz KJSFMNPJDHNHDR-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCCOC)C(=O)OCC ZINC000062034756 184202876 /nfs/dbraw/zinc/20/28/76/184202876.db2.gz KJSFMNPJDHNHDR-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP C[C@H](CC(N)=[NH2+])[N@H+](C)CCOc1cccc(Br)c1 ZINC000063092282 184270027 /nfs/dbraw/zinc/27/00/27/184270027.db2.gz PTYJZTITADTDIE-SNVBAGLBSA-N 2 1 314.227 2.474 10 0 DEAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)CCOc1cccc(Br)c1 ZINC000063092282 184270028 /nfs/dbraw/zinc/27/00/28/184270028.db2.gz PTYJZTITADTDIE-SNVBAGLBSA-N 2 1 314.227 2.474 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157493521 197192322 /nfs/dbraw/zinc/19/23/22/197192322.db2.gz PNLDSTIWGDAJAV-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CC[NH2+][C@](C)(CCCC[N@@H+](C)CCOC(C)C)C(=O)OC ZINC000157493521 197192324 /nfs/dbraw/zinc/19/23/24/197192324.db2.gz PNLDSTIWGDAJAV-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000245425010 285237963 /nfs/dbraw/zinc/23/79/63/285237963.db2.gz DIOKHSLEQYZGPH-MSOLQXFVSA-N 2 1 317.477 2.102 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000245425010 285237966 /nfs/dbraw/zinc/23/79/66/285237966.db2.gz DIOKHSLEQYZGPH-MSOLQXFVSA-N 2 1 317.477 2.102 10 0 DEAEMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000542746535 285246898 /nfs/dbraw/zinc/24/68/98/285246898.db2.gz SOAFVSRIVBWSPI-INIZCTEOSA-N 2 1 312.502 2.234 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246410877 285257666 /nfs/dbraw/zinc/25/76/66/285257666.db2.gz SAGFMAHGHWERFH-ZACQAIPSSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246410877 285257669 /nfs/dbraw/zinc/25/76/69/285257669.db2.gz SAGFMAHGHWERFH-ZACQAIPSSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246410877 285257671 /nfs/dbraw/zinc/25/76/71/285257671.db2.gz SAGFMAHGHWERFH-ZACQAIPSSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000245425012 285272509 /nfs/dbraw/zinc/27/25/09/285272509.db2.gz DIOKHSLEQYZGPH-ROUUACIJSA-N 2 1 317.477 2.102 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000245425012 285272510 /nfs/dbraw/zinc/27/25/10/285272510.db2.gz DIOKHSLEQYZGPH-ROUUACIJSA-N 2 1 317.477 2.102 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671544 133194383 /nfs/dbraw/zinc/19/43/83/133194383.db2.gz LHMHLZLIKKJXCC-APWZRJJASA-N 2 1 315.461 2.411 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192058468 145069903 /nfs/dbraw/zinc/06/99/03/145069903.db2.gz GWTJAHIRULTFKD-CABCVRRESA-N 2 1 303.406 2.142 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192058468 145069905 /nfs/dbraw/zinc/06/99/05/145069905.db2.gz GWTJAHIRULTFKD-CABCVRRESA-N 2 1 303.406 2.142 10 0 DEAEMP NC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246976216 145121888 /nfs/dbraw/zinc/12/18/88/145121888.db2.gz VRJASDJYINUBIQ-FUHWJXTLSA-N 2 1 313.445 2.234 10 0 DEAEMP NC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246976216 145121890 /nfs/dbraw/zinc/12/18/90/145121890.db2.gz VRJASDJYINUBIQ-FUHWJXTLSA-N 2 1 313.445 2.234 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248828809 145169321 /nfs/dbraw/zinc/16/93/21/145169321.db2.gz APXBVRKYRCBVTB-ZMSDIMECSA-N 2 1 303.450 2.283 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1 ZINC000261900521 145239713 /nfs/dbraw/zinc/23/97/13/145239713.db2.gz HQGMWSFMLBLAHE-VDHUWJSZSA-N 2 1 304.434 2.201 10 0 DEAEMP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccs1 ZINC000261907970 145240178 /nfs/dbraw/zinc/24/01/78/145240178.db2.gz INZKTUMXOVPSEM-KLHDSHLOSA-N 2 1 323.506 2.098 10 0 DEAEMP C[N@H+]1CC[C@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261928914 145243670 /nfs/dbraw/zinc/24/36/70/145243670.db2.gz CBGWTMYXLSVOMI-DOMZBBRYSA-N 2 1 324.831 2.411 10 0 DEAEMP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261934807 145244070 /nfs/dbraw/zinc/24/40/70/145244070.db2.gz MCWXZRAIUZWSQI-OTWHNJEPSA-N 2 1 318.461 2.470 10 0 DEAEMP COCc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1F ZINC000261972935 145248951 /nfs/dbraw/zinc/24/89/51/145248951.db2.gz QUKMLICDMMJDTF-NXHRZFHOSA-N 2 1 322.424 2.219 10 0 DEAEMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262005610 145251938 /nfs/dbraw/zinc/25/19/38/145251938.db2.gz UYSSFFKPKDYILY-BRWVUGGUSA-N 2 1 324.852 2.466 10 0 DEAEMP CCOc1ccc(NC(=O)CC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000134984599 401922787 /nfs/dbraw/zinc/92/27/87/401922787.db2.gz CEMMCUPPXOVABF-UHFFFAOYSA-N 2 1 319.449 2.440 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000137111504 401979186 /nfs/dbraw/zinc/97/91/86/401979186.db2.gz LBCIXODEBOHKAJ-SJORKVTESA-N 2 1 305.466 2.382 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152373989 402092759 /nfs/dbraw/zinc/09/27/59/402092759.db2.gz HRGUUVRGYQXOKK-IXDOHACOSA-N 2 1 324.513 2.231 10 0 DEAEMP CCOc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123026298 402106561 /nfs/dbraw/zinc/10/65/61/402106561.db2.gz ANHVNIWMLQAQCT-HUUCEWRRSA-N 2 1 319.449 2.438 10 0 DEAEMP CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000123554027 402134333 /nfs/dbraw/zinc/13/43/33/402134333.db2.gz IVNTTZAYVMZKIA-DOTOQJQBSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000123554027 402134337 /nfs/dbraw/zinc/13/43/37/402134337.db2.gz IVNTTZAYVMZKIA-DOTOQJQBSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000123554027 402134339 /nfs/dbraw/zinc/13/43/39/402134339.db2.gz IVNTTZAYVMZKIA-DOTOQJQBSA-N 2 1 303.450 2.107 10 0 DEAEMP C[C@H]1C[NH+](CC2CC[NH+](CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000153461743 402146798 /nfs/dbraw/zinc/14/67/98/402146798.db2.gz KWXZJKIPNUPQJE-ROUUACIJSA-N 3 1 323.525 2.294 10 0 DEAEMP COC(=O)c1cccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123910853 402153657 /nfs/dbraw/zinc/15/36/57/402153657.db2.gz HFYWTVHHOQBXLQ-GDBMZVCRSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123910853 402153658 /nfs/dbraw/zinc/15/36/58/402153658.db2.gz HFYWTVHHOQBXLQ-GDBMZVCRSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123910853 402153659 /nfs/dbraw/zinc/15/36/59/402153659.db2.gz HFYWTVHHOQBXLQ-GDBMZVCRSA-N 2 1 320.433 2.267 10 0 DEAEMP COC(=O)c1cccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123910853 402153661 /nfs/dbraw/zinc/15/36/61/402153661.db2.gz HFYWTVHHOQBXLQ-GDBMZVCRSA-N 2 1 320.433 2.267 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1ccnc1 ZINC000124273579 402172147 /nfs/dbraw/zinc/17/21/47/402172147.db2.gz DUOIDNWNCFAKEW-MRXNPFEDSA-N 2 1 321.469 2.035 10 0 DEAEMP C[C@H]1C[N@H+](C2CCN(CCC[NH+]3CCCCC3)CC2)CCO1 ZINC000125150184 402216316 /nfs/dbraw/zinc/21/63/16/402216316.db2.gz WQEHCWZYCZKTCK-KRWDZBQOSA-N 2 1 309.498 2.048 10 0 DEAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106905640 402221126 /nfs/dbraw/zinc/22/11/26/402221126.db2.gz WIUKIYKPHOTIGD-SJLPKXTDSA-N 2 1 317.477 2.150 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000185806289 402379044 /nfs/dbraw/zinc/37/90/44/402379044.db2.gz LNXQKCALERPWIO-HOTGVXAUSA-N 2 1 324.513 2.136 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000177507633 402410501 /nfs/dbraw/zinc/41/05/01/402410501.db2.gz TVRLHDLJOQNBAF-GVDBMIGSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000177507633 402410502 /nfs/dbraw/zinc/41/05/02/402410502.db2.gz TVRLHDLJOQNBAF-GVDBMIGSSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000177507633 402410503 /nfs/dbraw/zinc/41/05/03/402410503.db2.gz TVRLHDLJOQNBAF-GVDBMIGSSA-N 2 1 324.513 2.233 10 0 DEAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)C1 ZINC000186269245 402416578 /nfs/dbraw/zinc/41/65/78/402416578.db2.gz STNRJEWECLGBEN-ZACQAIPSSA-N 2 1 310.482 2.282 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000177664696 402424291 /nfs/dbraw/zinc/42/42/91/402424291.db2.gz FMWLFXRMYUWESI-CYBMUJFWSA-N 2 1 312.404 2.489 10 0 DEAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000237953926 402427582 /nfs/dbraw/zinc/42/75/82/402427582.db2.gz WYPUUSPYZJWQFQ-DLBZAZTESA-N 2 1 307.482 2.228 10 0 DEAEMP Cc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c(C)n1 ZINC000187024731 402478439 /nfs/dbraw/zinc/47/84/39/402478439.db2.gz RYDCEBPYBOSLSJ-KRWDZBQOSA-N 2 1 303.450 2.243 10 0 DEAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000178296562 402481132 /nfs/dbraw/zinc/48/11/32/402481132.db2.gz SMIFZRXUANJBPU-ZWKOTPCHSA-N 2 1 324.428 2.461 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccccc2)C1=O ZINC000178296562 402481137 /nfs/dbraw/zinc/48/11/37/402481137.db2.gz SMIFZRXUANJBPU-ZWKOTPCHSA-N 2 1 324.428 2.461 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000178848105 402546631 /nfs/dbraw/zinc/54/66/31/402546631.db2.gz WTHCJVHLHFHSLE-YOEHRIQHSA-N 2 1 318.465 2.208 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CC(C)C ZINC000247371089 402565683 /nfs/dbraw/zinc/56/56/83/402565683.db2.gz FCPRKSMDZKAHLZ-DLBZAZTESA-N 2 1 324.513 2.233 10 0 DEAEMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000246185528 402517074 /nfs/dbraw/zinc/51/70/74/402517074.db2.gz MCXGQCXQFZQYGV-GVDBMIGSSA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCNC2=O)C1 ZINC000246294037 402523264 /nfs/dbraw/zinc/52/32/64/402523264.db2.gz NLRFFVFYALFZLK-DAYGRLMNSA-N 2 1 315.461 2.143 10 0 DEAEMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000247653865 402573648 /nfs/dbraw/zinc/57/36/48/402573648.db2.gz XMYSAZBASYVXIJ-ROUUACIJSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000247653865 402573652 /nfs/dbraw/zinc/57/36/52/402573652.db2.gz XMYSAZBASYVXIJ-ROUUACIJSA-N 2 1 317.477 2.150 10 0 DEAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246406466 402529255 /nfs/dbraw/zinc/52/92/55/402529255.db2.gz LQPBHMDPEGZRNY-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246406466 402529259 /nfs/dbraw/zinc/52/92/59/402529259.db2.gz LQPBHMDPEGZRNY-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246406466 402529262 /nfs/dbraw/zinc/52/92/62/402529262.db2.gz LQPBHMDPEGZRNY-GVDBMIGSSA-N 2 1 324.513 2.088 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246438668 402531224 /nfs/dbraw/zinc/53/12/24/402531224.db2.gz UBGAQOAQYZWPQZ-RDJZCZTQSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000246483829 402533381 /nfs/dbraw/zinc/53/33/81/402533381.db2.gz RCPMTNIWTRFLRA-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP C[C@@H](CCNC(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000248373933 402588494 /nfs/dbraw/zinc/58/84/94/402588494.db2.gz MPTUJLPBZBKFCZ-SJORKVTESA-N 2 1 324.513 2.425 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@@H+](CC)C2CC2)C1 ZINC000179168836 402577738 /nfs/dbraw/zinc/57/77/38/402577738.db2.gz AHWSDBXHUYMUFT-OAHLLOKOSA-N 2 1 304.438 2.093 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@H+](CC)C2CC2)C1 ZINC000179168836 402577739 /nfs/dbraw/zinc/57/77/39/402577739.db2.gz AHWSDBXHUYMUFT-OAHLLOKOSA-N 2 1 304.438 2.093 10 0 DEAEMP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000252441898 402652754 /nfs/dbraw/zinc/65/27/54/402652754.db2.gz DKDKSSCQDFJUDL-MAUKXSAKSA-N 2 1 315.461 2.034 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000252441898 402652756 /nfs/dbraw/zinc/65/27/56/402652756.db2.gz DKDKSSCQDFJUDL-MAUKXSAKSA-N 2 1 315.461 2.034 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000252441898 402652758 /nfs/dbraw/zinc/65/27/58/402652758.db2.gz DKDKSSCQDFJUDL-MAUKXSAKSA-N 2 1 315.461 2.034 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000252441898 402652761 /nfs/dbraw/zinc/65/27/61/402652761.db2.gz DKDKSSCQDFJUDL-MAUKXSAKSA-N 2 1 315.461 2.034 10 0 DEAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000262653735 402729032 /nfs/dbraw/zinc/72/90/32/402729032.db2.gz BODAKCGCSAJPOB-JCGIZDLHSA-N 2 1 317.477 2.313 10 0 DEAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000263273191 402752560 /nfs/dbraw/zinc/75/25/60/402752560.db2.gz SLJKKQSPFRFOFH-WFASDCNBSA-N 2 1 322.355 2.111 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175524677 402814806 /nfs/dbraw/zinc/81/48/06/402814806.db2.gz VJMVXEWCNGCWLJ-MRXNPFEDSA-N 2 1 321.469 2.097 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000184205480 402826403 /nfs/dbraw/zinc/82/64/03/402826403.db2.gz YAJXNHXTJXCUFB-WMZOPIPTSA-N 2 1 324.428 2.323 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000184205480 402826404 /nfs/dbraw/zinc/82/64/04/402826404.db2.gz YAJXNHXTJXCUFB-WMZOPIPTSA-N 2 1 324.428 2.323 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000175202460 402787812 /nfs/dbraw/zinc/78/78/12/402787812.db2.gz MAXACAXGTWJAQV-HUUCEWRRSA-N 2 1 304.438 2.092 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000175202460 402787813 /nfs/dbraw/zinc/78/78/13/402787813.db2.gz MAXACAXGTWJAQV-HUUCEWRRSA-N 2 1 304.438 2.092 10 0 DEAEMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275574628 403106852 /nfs/dbraw/zinc/10/68/52/403106852.db2.gz OPBMSFWPSLHFSW-ZDUSSCGKSA-N 2 1 308.385 2.489 10 0 DEAEMP C([C@H]1CCOC1)[NH+]1CCCC2(CCC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000351998710 404065826 /nfs/dbraw/zinc/06/58/26/404065826.db2.gz XVOUXMJZMARCPG-PWCSWUJKSA-N 2 1 322.493 2.237 10 0 DEAEMP CC(C)[C@@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638511850 405518518 /nfs/dbraw/zinc/51/85/18/405518518.db2.gz CCAVIWHVOOYSPG-AEFFLSMTSA-N 2 1 317.477 2.483 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458669043 405533739 /nfs/dbraw/zinc/53/37/39/405533739.db2.gz STUMHAMCQGSODZ-UHFFFAOYSA-N 2 1 310.486 2.058 10 0 DEAEMP C[NH2+][C@H](C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851510 405713629 /nfs/dbraw/zinc/71/36/29/405713629.db2.gz NHNFTPHXOCRCSN-NVXWUHKLSA-N 2 1 303.450 2.155 10 0 DEAEMP C[C@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650007 406207349 /nfs/dbraw/zinc/20/73/49/406207349.db2.gz ZBMUOWLEHVPJFT-HZPDHXFCSA-N 2 1 310.388 2.258 10 0 DEAEMP C[C@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650007 406207353 /nfs/dbraw/zinc/20/73/53/406207353.db2.gz ZBMUOWLEHVPJFT-HZPDHXFCSA-N 2 1 310.388 2.258 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635003150 406395570 /nfs/dbraw/zinc/39/55/70/406395570.db2.gz GPSUJFPVFLFZPV-WDSOQIARSA-N 3 1 319.493 2.098 10 0 DEAEMP Cc1ccncc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000527223049 406598882 /nfs/dbraw/zinc/59/88/82/406598882.db2.gz LXYURPBXWAGZRJ-FQEVSTJZSA-N 2 1 324.472 2.468 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)CCC2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638103174 406571410 /nfs/dbraw/zinc/57/14/10/406571410.db2.gz LJHKHMCZCPTNHI-CRAIPNDOSA-N 2 1 315.461 2.155 10 0 DEAEMP [NH3+][C@@H](CC[NH+]1CCC(OCCO)CC1)c1ccc(Cl)cc1 ZINC000129390323 196043952 /nfs/dbraw/zinc/04/39/52/196043952.db2.gz XZEKUORGELZJJL-INIZCTEOSA-N 2 1 312.841 2.203 10 0 DEAEMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262033329 287302861 /nfs/dbraw/zinc/30/28/61/287302861.db2.gz XTRJHJUDELURTL-ZKXLYKBJSA-N 2 1 310.482 2.328 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379663992 424908116 /nfs/dbraw/zinc/90/81/16/424908116.db2.gz NGNAOSOFAYYEBA-RDJZCZTQSA-N 2 1 305.466 2.387 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379663990 424908137 /nfs/dbraw/zinc/90/81/37/424908137.db2.gz NGNAOSOFAYYEBA-NVXWUHKLSA-N 2 1 305.466 2.387 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382762965 424910662 /nfs/dbraw/zinc/91/06/62/424910662.db2.gz NATGOTAMMLDCFQ-ROUUACIJSA-N 2 1 317.477 2.340 10 0 DEAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000384327417 424910887 /nfs/dbraw/zinc/91/08/87/424910887.db2.gz XWVURJYZTVAFNS-JQHSSLGASA-N 2 1 315.461 2.013 10 0 DEAEMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccccc1Br ZINC000311090519 424894654 /nfs/dbraw/zinc/89/46/54/424894654.db2.gz ICKJDSBQXRLEGG-RYUDHWBXSA-N 2 1 315.255 2.412 10 0 DEAEMP c1cc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC000574763850 326184934 /nfs/dbraw/zinc/18/49/34/326184934.db2.gz YJHAJNQTJFMZJR-UHFFFAOYSA-N 2 1 322.456 2.045 10 0 DEAEMP CC(C)CCOCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915417 519665264 /nfs/dbraw/zinc/66/52/64/519665264.db2.gz FAPWEAUKXOAGQA-MRXNPFEDSA-N 2 1 300.487 2.074 10 0 DEAEMP CCC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[NH+](C)C ZINC000132351806 520587520 /nfs/dbraw/zinc/58/75/20/520587520.db2.gz DYWGEDUIUJSNSU-INIZCTEOSA-N 2 1 309.429 2.104 10 0 DEAEMP CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261783629 535669600 /nfs/dbraw/zinc/66/96/00/535669600.db2.gz BOEMMJLWFXWMBU-ZOBUZTSGSA-N 2 1 303.450 2.408 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261545470 646981205 /nfs/dbraw/zinc/98/12/05/646981205.db2.gz KBSKPSJORUVOTR-DOTOQJQBSA-N 2 1 303.450 2.155 10 0 DEAEMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261925650 647142245 /nfs/dbraw/zinc/14/22/45/647142245.db2.gz LAYJDHCWZNVYTB-XWTMOSNGSA-N 2 1 304.434 2.121 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724936911 787354884 /nfs/dbraw/zinc/35/48/84/787354884.db2.gz ONZVTFDFFPUULH-NZSAHSFTSA-N 2 1 318.461 2.292 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000724936911 787354898 /nfs/dbraw/zinc/35/48/98/787354898.db2.gz ONZVTFDFFPUULH-NZSAHSFTSA-N 2 1 318.461 2.292 10 0 DEAEMP Cc1cc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(N)[nH+]1 ZINC000398134338 790248816 /nfs/dbraw/zinc/24/88/16/790248816.db2.gz UKGYQVLPGOLXIT-MRXNPFEDSA-N 2 1 313.449 2.188 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716639005 792981971 /nfs/dbraw/zinc/98/19/71/792981971.db2.gz RENVAPBMPSSGPP-WZGPROSRSA-N 2 1 300.446 2.400 10 0 DEAEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000702050438 1086401350 /nfs/dbraw/zinc/40/13/50/1086401350.db2.gz XXQDEUQNPIXXBK-YZGWKJHDSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]12C[NH+](CC[C@H]3CC[NH2+]C3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702050438 1086401353 /nfs/dbraw/zinc/40/13/53/1086401353.db2.gz XXQDEUQNPIXXBK-YZGWKJHDSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@]12C[NH+](CC[C@H]3CC[NH2+]C3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702050438 1086401360 /nfs/dbraw/zinc/40/13/60/1086401360.db2.gz XXQDEUQNPIXXBK-YZGWKJHDSA-N 3 1 313.489 2.440 10 0 DEAEMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000702050438 1086401366 /nfs/dbraw/zinc/40/13/66/1086401366.db2.gz XXQDEUQNPIXXBK-YZGWKJHDSA-N 2 1 313.489 2.440 10 0 DEAEMP C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000702050438 1086401375 /nfs/dbraw/zinc/40/13/75/1086401375.db2.gz XXQDEUQNPIXXBK-YZGWKJHDSA-N 2 1 313.489 2.440 10 0 DEAEMP CN(Cc1ccc(N)nn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703917451 1086568037 /nfs/dbraw/zinc/56/80/37/1086568037.db2.gz SJLJJHNTSAYVAI-MRXNPFEDSA-N 2 1 311.433 2.013 10 0 DEAEMP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000711250975 1087036084 /nfs/dbraw/zinc/03/60/84/1087036084.db2.gz OSNPMDRUGFTVEL-SJORKVTESA-N 2 1 315.461 2.013 10 0 DEAEMP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000720249104 1089537518 /nfs/dbraw/zinc/53/75/18/1089537518.db2.gz KPNFCMVULAVUFF-ZJUUUORDSA-N 2 1 302.287 2.375 10 0 DEAEMP CCOC(=O)Cc1[nH+]c(CC2CC[NH+](C)CC2)n2ccccc12 ZINC000087493495 185226836 /nfs/dbraw/zinc/22/68/36/185226836.db2.gz MXABHHUWLBKMGT-UHFFFAOYSA-N 2 1 315.417 2.324 10 0 DEAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855494 282199310 /nfs/dbraw/zinc/19/93/10/282199310.db2.gz HVMBEFWYHAZBJH-ZWKOTPCHSA-N 2 1 315.461 2.061 10 0 DEAEMP C[N@H+](Cc1csc(Br)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606847 185306337 /nfs/dbraw/zinc/30/63/37/185306337.db2.gz PUWPPMCCVUAZQS-JQWIXIFHSA-N 2 1 319.268 2.306 10 0 DEAEMP C[N@@H+](Cc1csc(Br)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606847 185306338 /nfs/dbraw/zinc/30/63/38/185306338.db2.gz PUWPPMCCVUAZQS-JQWIXIFHSA-N 2 1 319.268 2.306 10 0 DEAEMP C[N@@H+](Cc1ccc(Br)cc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606691 185306379 /nfs/dbraw/zinc/30/63/79/185306379.db2.gz JNHFOMPYSYEHHB-UONOGXRCSA-N 2 1 313.239 2.245 10 0 DEAEMP C[NH2+][C@H](CCc1[nH+]ccn1C)c1cncc(Br)c1 ZINC000123698174 185833944 /nfs/dbraw/zinc/83/39/44/185833944.db2.gz ODORHUMKKCPHGM-GFCCVEGCSA-N 2 1 309.211 2.471 10 0 DEAEMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173920131 198269835 /nfs/dbraw/zinc/26/98/35/198269835.db2.gz HEMLEEYPVRFBFD-CQSZACIVSA-N 2 1 300.406 2.390 10 0 DEAEMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169782456 355982572 /nfs/dbraw/zinc/98/25/72/355982572.db2.gz LLGALHSVMASNGU-QGZVFWFLSA-N 2 1 315.461 2.140 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262253088 356341203 /nfs/dbraw/zinc/34/12/03/356341203.db2.gz DRBGNGBECQFVTQ-YVSFHVDLSA-N 2 1 309.498 2.378 10 0 DEAEMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399548404 283153407 /nfs/dbraw/zinc/15/34/07/283153407.db2.gz BJLQOIJCTRWXBC-HLLBOEOZSA-N 2 1 305.466 2.243 10 0 DEAEMP COc1ccc(Cl)cc1C[C@H]([NH3+])[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720256 193097328 /nfs/dbraw/zinc/09/73/28/193097328.db2.gz YTPZWOCGMVCIEA-IJEWVQPXSA-N 2 1 310.825 2.082 10 0 DEAEMP C[NH2+]C1CCC([N@@H+](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000091873057 193120818 /nfs/dbraw/zinc/12/08/18/193120818.db2.gz QQEPZMYYXIXLQA-UHFFFAOYSA-N 2 1 310.829 2.136 10 0 DEAEMP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000631731847 368362620 /nfs/dbraw/zinc/36/26/20/368362620.db2.gz CBWQUKREUBVYHA-GOSISDBHSA-N 2 1 316.445 2.102 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@@H+](CC)[C@@H](C)COC ZINC000093617276 193275425 /nfs/dbraw/zinc/27/54/25/193275425.db2.gz QUNBGNQPGOONEB-BBWFWOEESA-N 2 1 300.487 2.264 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CCC[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782960 193307176 /nfs/dbraw/zinc/30/71/76/193307176.db2.gz XGYWVPLAKISYGJ-IRXDYDNUSA-N 2 1 300.487 2.264 10 0 DEAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093783254 193307877 /nfs/dbraw/zinc/30/78/77/193307877.db2.gz UYBHYYNFVQIPQS-GVDBMIGSSA-N 2 1 300.487 2.405 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000105852823 194146162 /nfs/dbraw/zinc/14/61/62/194146162.db2.gz GVAUMRZHBWMOMV-JKSUJKDBSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000105852823 194146165 /nfs/dbraw/zinc/14/61/65/194146165.db2.gz GVAUMRZHBWMOMV-JKSUJKDBSA-N 2 1 318.465 2.483 10 0 DEAEMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106458399 194217091 /nfs/dbraw/zinc/21/70/91/194217091.db2.gz BQVHZRMLNLMZTC-SJLPKXTDSA-N 2 1 317.477 2.150 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106458399 194217094 /nfs/dbraw/zinc/21/70/94/194217094.db2.gz BQVHZRMLNLMZTC-SJLPKXTDSA-N 2 1 317.477 2.150 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183730663 296311823 /nfs/dbraw/zinc/31/18/23/296311823.db2.gz HQQKKJJKUFXMMA-MRXNPFEDSA-N 2 1 324.513 2.282 10 0 DEAEMP CC[C@H]1CN(c2cc(Br)ccc2C[NH3+])CC[N@H+]1C ZINC000110730707 194355169 /nfs/dbraw/zinc/35/51/69/194355169.db2.gz HVYMNMPSSCLVLN-ZDUSSCGKSA-N 2 1 312.255 2.438 10 0 DEAEMP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000158036241 197238424 /nfs/dbraw/zinc/23/84/24/197238424.db2.gz OXXMIINQRIGXRM-CHWSQXEVSA-N 2 1 304.463 2.371 10 0 DEAEMP CC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000061940916 184197405 /nfs/dbraw/zinc/19/74/05/184197405.db2.gz LCXDYJIMHKNIIA-BFHYXJOUSA-N 2 1 307.404 2.320 10 0 DEAEMP CC[N@@H+]1C[C@H](COC)[C@@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC000248052877 257109422 /nfs/dbraw/zinc/10/94/22/257109422.db2.gz SSRILXDHMLGJLA-ZBFHGGJFSA-N 2 1 309.479 2.242 10 0 DEAEMP CC[N@H+]1C[C@H](COC)[C@@]2(CC[NH+](Cc3scnc3C)C2)C1 ZINC000248052877 257109423 /nfs/dbraw/zinc/10/94/23/257109423.db2.gz SSRILXDHMLGJLA-ZBFHGGJFSA-N 2 1 309.479 2.242 10 0 DEAEMP CC[NH+]1C[C@H](COC)[C@@]2(CC[N@H+](Cc3scnc3C)C2)C1 ZINC000248052877 257109424 /nfs/dbraw/zinc/10/94/24/257109424.db2.gz SSRILXDHMLGJLA-ZBFHGGJFSA-N 2 1 309.479 2.242 10 0 DEAEMP CC[NH+]1C[C@H](COC)[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC000248052877 257109425 /nfs/dbraw/zinc/10/94/25/257109425.db2.gz SSRILXDHMLGJLA-ZBFHGGJFSA-N 2 1 309.479 2.242 10 0 DEAEMP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C2 ZINC000261922049 285497423 /nfs/dbraw/zinc/49/74/23/285497423.db2.gz KLANFZKMQQRZSK-IPMKNSEASA-N 2 1 300.446 2.148 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180713 /nfs/dbraw/zinc/18/07/13/133180713.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180714 /nfs/dbraw/zinc/18/07/14/133180714.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180715 /nfs/dbraw/zinc/18/07/15/133180715.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 2 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180716 /nfs/dbraw/zinc/18/07/16/133180716.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180717 /nfs/dbraw/zinc/18/07/17/133180717.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180718 /nfs/dbraw/zinc/18/07/18/133180718.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 3 1 311.514 2.055 10 0 DEAEMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000360416878 133180719 /nfs/dbraw/zinc/18/07/19/133180719.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 3 1 311.514 2.055 10 0 DEAEMP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703252 133246468 /nfs/dbraw/zinc/24/64/68/133246468.db2.gz PSHRBWKSGOPLCS-IEBWSBKVSA-N 2 1 301.478 2.187 10 0 DEAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246209727 145094872 /nfs/dbraw/zinc/09/48/72/145094872.db2.gz FTGWSRDQZZSSLS-RCCFBDPRSA-N 2 1 315.461 2.285 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247347133 145134342 /nfs/dbraw/zinc/13/43/42/145134342.db2.gz OOZNEURSDFSNCN-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247347133 145134344 /nfs/dbraw/zinc/13/43/44/145134344.db2.gz OOZNEURSDFSNCN-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247347133 145134346 /nfs/dbraw/zinc/13/43/46/145134346.db2.gz OOZNEURSDFSNCN-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247347133 145134347 /nfs/dbraw/zinc/13/43/47/145134347.db2.gz OOZNEURSDFSNCN-YESZJQIVSA-N 2 1 306.450 2.149 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248654628 145163488 /nfs/dbraw/zinc/16/34/88/145163488.db2.gz PPNNXKQBQLRZQZ-CGTJXYLNSA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654628 145163490 /nfs/dbraw/zinc/16/34/90/145163490.db2.gz PPNNXKQBQLRZQZ-CGTJXYLNSA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654628 145163492 /nfs/dbraw/zinc/16/34/92/145163492.db2.gz PPNNXKQBQLRZQZ-CGTJXYLNSA-N 2 1 310.482 2.113 10 0 DEAEMP CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249824201 145191064 /nfs/dbraw/zinc/19/10/64/145191064.db2.gz IVNTTZAYVMZKIA-RDJZCZTQSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249824201 145191066 /nfs/dbraw/zinc/19/10/66/145191066.db2.gz IVNTTZAYVMZKIA-RDJZCZTQSA-N 2 1 303.450 2.107 10 0 DEAEMP CCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249824201 145191067 /nfs/dbraw/zinc/19/10/67/145191067.db2.gz IVNTTZAYVMZKIA-RDJZCZTQSA-N 2 1 303.450 2.107 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000261547387 145207219 /nfs/dbraw/zinc/20/72/19/145207219.db2.gz MHHPMNQIHMHTGD-KRWDZBQOSA-N 2 1 303.450 2.238 10 0 DEAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000261547387 145207220 /nfs/dbraw/zinc/20/72/20/145207220.db2.gz MHHPMNQIHMHTGD-KRWDZBQOSA-N 2 1 303.450 2.238 10 0 DEAEMP CC[NH+](CC)[C@@H](CNC1=[NH+]CCCN1)c1cccc(OC)c1 ZINC000261723643 145221023 /nfs/dbraw/zinc/22/10/23/145221023.db2.gz GDIQQCOFKFPRQJ-INIZCTEOSA-N 2 1 304.438 2.017 10 0 DEAEMP COc1cccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261741398 145222163 /nfs/dbraw/zinc/22/21/63/145222163.db2.gz PFKJBAUDFMGMSQ-OAHLLOKOSA-N 2 1 305.422 2.083 10 0 DEAEMP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261737710 145222311 /nfs/dbraw/zinc/22/23/11/145222311.db2.gz NOPMZISFPMQXFC-OAHLLOKOSA-N 2 1 317.477 2.409 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1 ZINC000261900513 145239393 /nfs/dbraw/zinc/23/93/93/145239393.db2.gz HQGMWSFMLBLAHE-DDBAPUKQSA-N 2 1 304.434 2.201 10 0 DEAEMP COc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1C ZINC000261970355 145247974 /nfs/dbraw/zinc/24/79/74/145247974.db2.gz QMWQBYXQMONTOM-KURKYZTESA-N 2 1 318.461 2.293 10 0 DEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261962793 145247979 /nfs/dbraw/zinc/24/79/79/145247979.db2.gz PSBSHNKOCUNRSM-BRSBDYLESA-N 2 1 323.525 2.244 10 0 DEAEMP Fc1cccc(F)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262053911 145257933 /nfs/dbraw/zinc/25/79/33/145257933.db2.gz ZXVGACKZLKXNCW-IAOVAPTHSA-N 2 1 310.388 2.254 10 0 DEAEMP c1nc([C@@H]2CCC[N@H+](CCC3OCCO3)C2)n2c1CCCC2 ZINC000370305456 148005322 /nfs/dbraw/zinc/00/53/22/148005322.db2.gz KRDFPEDAPOWNBM-CQSZACIVSA-N 2 1 305.422 2.162 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(F)cc1 ZINC000371292499 148083870 /nfs/dbraw/zinc/08/38/70/148083870.db2.gz CISHFHSAFBMPJP-KBAYOESNSA-N 2 1 322.424 2.388 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(F)cc1 ZINC000371292499 148083871 /nfs/dbraw/zinc/08/38/71/148083871.db2.gz CISHFHSAFBMPJP-KBAYOESNSA-N 2 1 322.424 2.388 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372383156 148201904 /nfs/dbraw/zinc/20/19/04/148201904.db2.gz AYFZHUJIBGLWBL-AWEZNQCLSA-N 2 1 320.481 2.486 10 0 DEAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372383159 148202285 /nfs/dbraw/zinc/20/22/85/148202285.db2.gz AYFZHUJIBGLWBL-CQSZACIVSA-N 2 1 320.481 2.486 10 0 DEAEMP CCc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1C ZINC000121768028 402051597 /nfs/dbraw/zinc/05/15/97/402051597.db2.gz ZTAPJBZRCFROIP-UHFFFAOYSA-N 2 1 319.497 2.466 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000098030401 402134851 /nfs/dbraw/zinc/13/48/51/402134851.db2.gz DYZAAJFZCSHGSS-HRCADAONSA-N 2 1 312.502 2.136 10 0 DEAEMP CCC[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000154088327 402191736 /nfs/dbraw/zinc/19/17/36/402191736.db2.gz MWLIBKYMWRRTCP-RYQLBKOJSA-N 2 1 317.477 2.496 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)[C@H](C)C1 ZINC000125782080 402249821 /nfs/dbraw/zinc/24/98/21/402249821.db2.gz NXEJOYADSBKPSV-AOIWGVFYSA-N 2 1 320.477 2.397 10 0 DEAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000158332398 402304639 /nfs/dbraw/zinc/30/46/39/402304639.db2.gz RCEDYLCIHRZSPW-HOCLYGCPSA-N 2 1 324.513 2.277 10 0 DEAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237683629 402417933 /nfs/dbraw/zinc/41/79/33/402417933.db2.gz SZHZDJJEMNNOQC-COZGXFGHSA-N 2 1 321.509 2.390 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304912 402482265 /nfs/dbraw/zinc/48/22/65/402482265.db2.gz YTUHVZFATBMZEQ-OFQRWUPVSA-N 2 1 306.454 2.349 10 0 DEAEMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304912 402482269 /nfs/dbraw/zinc/48/22/69/402482269.db2.gz YTUHVZFATBMZEQ-OFQRWUPVSA-N 2 1 306.454 2.349 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000178304833 402482317 /nfs/dbraw/zinc/48/23/17/402482317.db2.gz HTBYNHCDOQGFCI-HOCLYGCPSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000178304833 402482321 /nfs/dbraw/zinc/48/23/21/402482321.db2.gz HTBYNHCDOQGFCI-HOCLYGCPSA-N 2 1 306.454 2.207 10 0 DEAEMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791731 402488527 /nfs/dbraw/zinc/48/85/27/402488527.db2.gz WIPCLKWERIDCQP-RDJZCZTQSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791731 402488529 /nfs/dbraw/zinc/48/85/29/402488529.db2.gz WIPCLKWERIDCQP-RDJZCZTQSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791731 402488530 /nfs/dbraw/zinc/48/85/30/402488530.db2.gz WIPCLKWERIDCQP-RDJZCZTQSA-N 2 1 313.449 2.490 10 0 DEAEMP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1-n1cncn1 ZINC000245791731 402488532 /nfs/dbraw/zinc/48/85/32/402488532.db2.gz WIPCLKWERIDCQP-RDJZCZTQSA-N 2 1 313.449 2.490 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247280234 402562064 /nfs/dbraw/zinc/56/20/64/402562064.db2.gz KHEOIAXAVSPVJB-AKBNIOSXSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247280234 402562065 /nfs/dbraw/zinc/56/20/65/402562065.db2.gz KHEOIAXAVSPVJB-AKBNIOSXSA-N 2 1 322.497 2.030 10 0 DEAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247280234 402562067 /nfs/dbraw/zinc/56/20/67/402562067.db2.gz KHEOIAXAVSPVJB-AKBNIOSXSA-N 2 1 322.497 2.030 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000179517198 402593217 /nfs/dbraw/zinc/59/32/17/402593217.db2.gz PTPGBEDAEOYPAT-CQSZACIVSA-N 2 1 322.497 2.232 10 0 DEAEMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000172608198 402666122 /nfs/dbraw/zinc/66/61/22/402666122.db2.gz ZEEFEJRALYSKEX-KRWDZBQOSA-N 2 1 322.497 2.132 10 0 DEAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262672371 402729573 /nfs/dbraw/zinc/72/95/73/402729573.db2.gz PHOKPSAWWDVGER-NXOAAHMSSA-N 2 1 307.482 2.240 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)CCC1 ZINC000175005733 402770811 /nfs/dbraw/zinc/77/08/11/402770811.db2.gz OYDDSPHILNQRGO-INIZCTEOSA-N 2 1 324.513 2.234 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000193868715 402776981 /nfs/dbraw/zinc/77/69/81/402776981.db2.gz YSIBQJRRQRJERC-JKSUJKDBSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000193868715 402776983 /nfs/dbraw/zinc/77/69/83/402776983.db2.gz YSIBQJRRQRJERC-JKSUJKDBSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000193868715 402776984 /nfs/dbraw/zinc/77/69/84/402776984.db2.gz YSIBQJRRQRJERC-JKSUJKDBSA-N 2 1 324.513 2.280 10 0 DEAEMP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000175959915 402844942 /nfs/dbraw/zinc/84/49/42/402844942.db2.gz FMWRZEGANACEQU-WBVHZDCISA-N 2 1 324.513 2.233 10 0 DEAEMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000184468879 402845535 /nfs/dbraw/zinc/84/55/35/402845535.db2.gz JGYSOZDBWGPERG-MRXNPFEDSA-N 2 1 312.502 2.234 10 0 DEAEMP Cc1nn2c(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333176202 403686045 /nfs/dbraw/zinc/68/60/45/403686045.db2.gz QYRSYXLXABYZCU-JQWIXIFHSA-N 2 1 307.467 2.310 10 0 DEAEMP C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328650288 404124287 /nfs/dbraw/zinc/12/42/87/404124287.db2.gz VNTJOEHWLFWHQB-CJNGLKHVSA-N 2 1 303.381 2.250 10 0 DEAEMP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328650288 404124297 /nfs/dbraw/zinc/12/42/97/404124297.db2.gz VNTJOEHWLFWHQB-CJNGLKHVSA-N 2 1 303.381 2.250 10 0 DEAEMP C(CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374077158 404686873 /nfs/dbraw/zinc/68/68/73/404686873.db2.gz CGKOMKZMJKSLJY-USTZCAOPSA-N 2 1 308.466 2.273 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000389875882 405041029 /nfs/dbraw/zinc/04/10/29/405041029.db2.gz LRGIZRPCXBEQSR-LMSBXDPUSA-N 2 1 315.461 2.011 10 0 DEAEMP c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(N2CCCCC2)[nH+]1 ZINC000420251127 405301115 /nfs/dbraw/zinc/30/11/15/405301115.db2.gz KYNYYIBAZALIBL-KRWDZBQOSA-N 2 1 301.438 2.047 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836167 405704206 /nfs/dbraw/zinc/70/42/06/405704206.db2.gz QXYDUWYRZNTNQW-KBAYOESNSA-N 2 1 317.477 2.244 10 0 DEAEMP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@@H](C[NH+]3CCCCCC3)C1)CC2 ZINC000639474502 406104702 /nfs/dbraw/zinc/10/47/02/406104702.db2.gz OROAEFNVHVSVMW-DLBZAZTESA-N 2 1 317.481 2.353 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638119771 406580911 /nfs/dbraw/zinc/58/09/11/406580911.db2.gz VTAQFYFIKLUILD-JLSDUUJJSA-N 2 1 313.445 2.061 10 0 DEAEMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2cccs2)CC1 ZINC000130522092 196087202 /nfs/dbraw/zinc/08/72/02/196087202.db2.gz XPHOCTTVCSYYCG-HNNXBMFYSA-N 2 1 309.479 2.327 10 0 DEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2cccs2)CC1 ZINC000130522092 196087205 /nfs/dbraw/zinc/08/72/05/196087205.db2.gz XPHOCTTVCSYYCG-HNNXBMFYSA-N 2 1 309.479 2.327 10 0 DEAEMP [NH3+]C1CCN([C@@H]2CC[N@@H+](CCSc3ccccc3)C2)CC1 ZINC000130807081 196111896 /nfs/dbraw/zinc/11/18/96/196111896.db2.gz UOWYJZUQEGBWCT-MRXNPFEDSA-N 2 1 305.491 2.276 10 0 DEAEMP CCC(CC)(C(=O)c1c(Cl)cnn1CC[NH+](C)C)[NH+](C)C ZINC000134125332 196363074 /nfs/dbraw/zinc/36/30/74/196363074.db2.gz RAFZLJUBYZZKDQ-UHFFFAOYSA-N 2 1 314.861 2.401 10 0 DEAEMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)CC(C)C ZINC000195125314 424880233 /nfs/dbraw/zinc/88/02/33/424880233.db2.gz IEPHGTSYGUVWQW-HOTGVXAUSA-N 2 1 312.502 2.136 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000379635988 424908240 /nfs/dbraw/zinc/90/82/40/424908240.db2.gz WRIHBCITSSMXNP-DOTOQJQBSA-N 2 1 304.434 2.045 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]C2COCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000379635988 424908242 /nfs/dbraw/zinc/90/82/42/424908242.db2.gz WRIHBCITSSMXNP-DOTOQJQBSA-N 2 1 304.434 2.045 10 0 DEAEMP COC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173682851 274041693 /nfs/dbraw/zinc/04/16/93/274041693.db2.gz RBKBBVWGKBPLFT-APWZRJJASA-N 2 1 320.477 2.399 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182759700 274897006 /nfs/dbraw/zinc/89/70/06/274897006.db2.gz RQXSSAYCWARGQP-MJGOQNOKSA-N 2 1 311.429 2.333 10 0 DEAEMP CC(C)(CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000105081525 277300543 /nfs/dbraw/zinc/30/05/43/277300543.db2.gz XRMNWEAPYVEAOK-MRXNPFEDSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000261950568 279204028 /nfs/dbraw/zinc/20/40/28/279204028.db2.gz KBBGABZAELYDTP-PBHICJAKSA-N 2 1 315.461 2.019 10 0 DEAEMP C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000261950568 279204031 /nfs/dbraw/zinc/20/40/31/279204031.db2.gz KBBGABZAELYDTP-PBHICJAKSA-N 2 1 315.461 2.019 10 0 DEAEMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060818 533879082 /nfs/dbraw/zinc/87/90/82/533879082.db2.gz JBKMMODPVROYLZ-IPELMVKDSA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060818 533879089 /nfs/dbraw/zinc/87/90/89/533879089.db2.gz JBKMMODPVROYLZ-IPELMVKDSA-N 2 1 301.478 2.485 10 0 DEAEMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261803289 534858284 /nfs/dbraw/zinc/85/82/84/534858284.db2.gz OGZQBVOOOQPSER-INIZCTEOSA-N 2 1 317.433 2.277 10 0 DEAEMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261803289 534858287 /nfs/dbraw/zinc/85/82/87/534858287.db2.gz OGZQBVOOOQPSER-INIZCTEOSA-N 2 1 317.433 2.277 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC000154579401 527442041 /nfs/dbraw/zinc/44/20/41/527442041.db2.gz NCRLMXZQAWQAQO-YOEHRIQHSA-N 2 1 318.465 2.493 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1CCCCC1 ZINC000154579401 527442046 /nfs/dbraw/zinc/44/20/46/527442046.db2.gz NCRLMXZQAWQAQO-YOEHRIQHSA-N 2 1 318.465 2.493 10 0 DEAEMP CC[C@@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000360468117 536024330 /nfs/dbraw/zinc/02/43/30/536024330.db2.gz UFNSNAQLMOTEJD-QFBILLFUSA-N 2 1 317.477 2.403 10 0 DEAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262672372 536403652 /nfs/dbraw/zinc/40/36/52/536403652.db2.gz PHOKPSAWWDVGER-QZWWFDLISA-N 2 1 307.482 2.240 10 0 DEAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000261971562 536840950 /nfs/dbraw/zinc/84/09/50/536840950.db2.gz QQKSWSPFNVOLJB-DJIMGWMZSA-N 2 1 322.424 2.124 10 0 DEAEMP O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716638994 792982326 /nfs/dbraw/zinc/98/23/26/792982326.db2.gz RENVAPBMPSSGPP-NQYYFHDYSA-N 2 1 300.446 2.400 10 0 DEAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000075334494 1080238792 /nfs/dbraw/zinc/23/87/92/1080238792.db2.gz NVCTVONVDGFOEO-SJORKVTESA-N 2 1 309.498 2.440 10 0 DEAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000075334494 1080238800 /nfs/dbraw/zinc/23/88/00/1080238800.db2.gz NVCTVONVDGFOEO-SJORKVTESA-N 2 1 309.498 2.440 10 0 DEAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000075334494 1080238810 /nfs/dbraw/zinc/23/88/10/1080238810.db2.gz NVCTVONVDGFOEO-SJORKVTESA-N 2 1 309.498 2.440 10 0 DEAEMP c1ccc(C[N@@H+]2CC[C@H]3CN(CC45CC(C4)C[NH2+]5)C[C@H]3C2)cc1 ZINC000710664541 1086691562 /nfs/dbraw/zinc/69/15/62/1086691562.db2.gz ROKZCHHDOQNODW-FUFFSDJGSA-N 2 1 311.473 2.192 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000711344635 1087069921 /nfs/dbraw/zinc/06/99/21/1087069921.db2.gz JLASIKYYWMVSDW-HYVNUMGLSA-N 2 1 315.461 2.011 10 0 DEAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000090326723 185291172 /nfs/dbraw/zinc/29/11/72/185291172.db2.gz HJQIPUNMKZDGCN-JHJVBQTASA-N 2 1 307.825 2.208 10 0 DEAEMP CN(C[C@H]1CCC[N@H+]1C)c1cc(Br)ccc1C[NH3+] ZINC000092633060 185330500 /nfs/dbraw/zinc/33/05/00/185330500.db2.gz HVFKOFYUSRVFOS-CYBMUJFWSA-N 2 1 312.255 2.438 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842391 282359103 /nfs/dbraw/zinc/35/91/03/282359103.db2.gz NOPWUAQWOCSBCZ-OAHLLOKOSA-N 2 1 324.513 2.423 10 0 DEAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155783805 186112628 /nfs/dbraw/zinc/11/26/28/186112628.db2.gz MGKRUQSEFZLKFH-HNNXBMFYSA-N 2 1 303.450 2.352 10 0 DEAEMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)CC(C)C ZINC000171900003 198003535 /nfs/dbraw/zinc/00/35/35/198003535.db2.gz FCPRKSMDZKAHLZ-SJORKVTESA-N 2 1 324.513 2.233 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309678304 539878770 /nfs/dbraw/zinc/87/87/70/539878770.db2.gz YCLTYAZGPMXEEM-MOPGFXCFSA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309678304 539878775 /nfs/dbraw/zinc/87/87/75/539878775.db2.gz YCLTYAZGPMXEEM-MOPGFXCFSA-N 2 1 319.493 2.242 10 0 DEAEMP C[NH+](C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000174221568 198308370 /nfs/dbraw/zinc/30/83/70/198308370.db2.gz VTJUYYSXAUWFPQ-HQSKLWIPSA-N 2 1 315.461 2.421 10 0 DEAEMP C[NH+](C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000174221568 198308372 /nfs/dbraw/zinc/30/83/72/198308372.db2.gz VTJUYYSXAUWFPQ-HQSKLWIPSA-N 2 1 315.461 2.421 10 0 DEAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390871154 540135431 /nfs/dbraw/zinc/13/54/31/540135431.db2.gz GEJOIMPWFBOQNJ-ROUUACIJSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390871154 540135434 /nfs/dbraw/zinc/13/54/34/540135434.db2.gz GEJOIMPWFBOQNJ-ROUUACIJSA-N 2 1 320.477 2.274 10 0 DEAEMP OC[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC12CC[NH2+]CC2 ZINC000169782189 355983122 /nfs/dbraw/zinc/98/31/22/355983122.db2.gz LGGRECNOAGEKEK-ZDUSSCGKSA-N 2 1 312.816 2.273 10 0 DEAEMP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179152434 356015583 /nfs/dbraw/zinc/01/55/83/356015583.db2.gz VGZVNMNPEHEAOQ-DLBZAZTESA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179152434 356015588 /nfs/dbraw/zinc/01/55/88/356015588.db2.gz VGZVNMNPEHEAOQ-DLBZAZTESA-N 2 1 318.465 2.071 10 0 DEAEMP CC(C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179152434 356015593 /nfs/dbraw/zinc/01/55/93/356015593.db2.gz VGZVNMNPEHEAOQ-DLBZAZTESA-N 2 1 318.465 2.071 10 0 DEAEMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2c(c1)COCC2 ZINC000631731848 368362492 /nfs/dbraw/zinc/36/24/92/368362492.db2.gz CBWQUKREUBVYHA-SFHVURJKSA-N 2 1 316.445 2.102 10 0 DEAEMP CC1(C)CCC[C@@H](C[NH+]2CCN(c3nccs3)CC2)[C@H]1[NH3+] ZINC000094286291 193356054 /nfs/dbraw/zinc/35/60/54/193356054.db2.gz XCFAAELGNDBANB-UONOGXRCSA-N 2 1 308.495 2.419 10 0 DEAEMP CC[C@H]1CN(c2nc(C(F)(F)F)ccc2C[NH3+])CC[N@H+]1C ZINC000094334302 193360054 /nfs/dbraw/zinc/36/00/54/193360054.db2.gz VZOPEUBIPDCGRL-NSHDSACASA-N 2 1 302.344 2.090 10 0 DEAEMP CC(=O)Nc1nc(C[N@H+](CC2CC[NH2+]CC2)C(C)C)cs1 ZINC000094026124 193339972 /nfs/dbraw/zinc/33/99/72/193339972.db2.gz UCBVNXRIKDBHGF-UHFFFAOYSA-N 2 1 310.467 2.312 10 0 DEAEMP CCC[NH2+][C@@H]1[C@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430073 193369200 /nfs/dbraw/zinc/36/92/00/193369200.db2.gz JXNUJKVLOXHSGV-UONOGXRCSA-N 2 1 300.487 2.261 10 0 DEAEMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCC1CC[NH+](CC)CC1 ZINC000458462185 248320994 /nfs/dbraw/zinc/32/09/94/248320994.db2.gz PWXPIVIARGDAHO-KRWDZBQOSA-N 2 1 324.513 2.234 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@H+](CC)CCOCC)C(=O)OC ZINC000111122032 194392407 /nfs/dbraw/zinc/39/24/07/194392407.db2.gz OBBINRXHTSLAPM-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](CC)CCOCC)C(=O)OC ZINC000111122032 194392409 /nfs/dbraw/zinc/39/24/09/194392409.db2.gz OBBINRXHTSLAPM-INIZCTEOSA-N 2 1 302.459 2.056 10 0 DEAEMP C[C@@H](c1ccc(Cl)s1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178414 184276638 /nfs/dbraw/zinc/27/66/38/184276638.db2.gz MSLJSGVCEZWHBI-QWRGUYRKSA-N 2 1 315.870 2.249 10 0 DEAEMP NC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000159220507 197337368 /nfs/dbraw/zinc/33/73/68/197337368.db2.gz MAIGOOKGQMITFI-KRWDZBQOSA-N 2 1 322.497 2.164 10 0 DEAEMP CC(C)[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](C)CCOC(C)C ZINC000157771871 197215205 /nfs/dbraw/zinc/21/52/05/197215205.db2.gz CYVYITHVTSVHBH-IRXDYDNUSA-N 2 1 300.487 2.263 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@H+](C)CCOC(C)C)C(=O)OC ZINC000157493367 197191483 /nfs/dbraw/zinc/19/14/83/197191483.db2.gz PNLDSTIWGDAJAV-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CCOC(C)C)C(=O)OC ZINC000157493367 197191485 /nfs/dbraw/zinc/19/14/85/197191485.db2.gz PNLDSTIWGDAJAV-INIZCTEOSA-N 2 1 302.459 2.055 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000358182422 133126578 /nfs/dbraw/zinc/12/65/78/133126578.db2.gz DCKPNAZGJGRUEI-DLBZAZTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000358182422 133126579 /nfs/dbraw/zinc/12/65/79/133126579.db2.gz DCKPNAZGJGRUEI-DLBZAZTESA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358182422 133126580 /nfs/dbraw/zinc/12/65/80/133126580.db2.gz DCKPNAZGJGRUEI-DLBZAZTESA-N 2 1 322.497 2.058 10 0 DEAEMP C[C@H]([NH2+]Cc1ccn(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000358246757 133131400 /nfs/dbraw/zinc/13/14/00/133131400.db2.gz KTHXQZFTTPMZST-AWEZNQCLSA-N 2 1 302.422 2.211 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193050787 145081617 /nfs/dbraw/zinc/08/16/17/145081617.db2.gz RTAMHOABYJVSSZ-QGZVFWFLSA-N 2 1 307.438 2.218 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000193050802 145081673 /nfs/dbraw/zinc/08/16/73/145081673.db2.gz RTAMHOABYJVSSZ-KRWDZBQOSA-N 2 1 307.438 2.218 10 0 DEAEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Cl)C[C@@H]2C1 ZINC000193610227 145087653 /nfs/dbraw/zinc/08/76/53/145087653.db2.gz HVIAIZYHQKZDPR-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)C[C@@H]2C1 ZINC000193610227 145087654 /nfs/dbraw/zinc/08/76/54/145087654.db2.gz HVIAIZYHQKZDPR-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)C[C@@H]2C1 ZINC000193610227 145087655 /nfs/dbraw/zinc/08/76/55/145087655.db2.gz HVIAIZYHQKZDPR-BETUJISGSA-N 2 1 307.825 2.162 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000246881173 145118072 /nfs/dbraw/zinc/11/80/72/145118072.db2.gz DPLLVNGNUNEISV-INMHGKMJSA-N 2 1 318.465 2.445 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000246881173 145118073 /nfs/dbraw/zinc/11/80/73/145118073.db2.gz DPLLVNGNUNEISV-INMHGKMJSA-N 2 1 318.465 2.445 10 0 DEAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+](CC)CC ZINC000247158256 145127340 /nfs/dbraw/zinc/12/73/40/145127340.db2.gz KHKNTPSEUBRADF-JKSUJKDBSA-N 2 1 312.502 2.280 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247371557 145135120 /nfs/dbraw/zinc/13/51/20/145135120.db2.gz RYPPIMZHDPERCW-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247371557 145135122 /nfs/dbraw/zinc/13/51/22/145135122.db2.gz RYPPIMZHDPERCW-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247371557 145135124 /nfs/dbraw/zinc/13/51/24/145135124.db2.gz RYPPIMZHDPERCW-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247371557 145135125 /nfs/dbraw/zinc/13/51/25/145135125.db2.gz RYPPIMZHDPERCW-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP C[N@H+]1CCC[C@H]2CN(Cc3c[nH]nc3-c3cccnc3)CC[C@H]21 ZINC000252802503 145200430 /nfs/dbraw/zinc/20/04/30/145200430.db2.gz MQNBGWQCAGTPSE-DOTOQJQBSA-N 2 1 311.433 2.388 10 0 DEAEMP C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261560404 145208126 /nfs/dbraw/zinc/20/81/26/145208126.db2.gz ZWTVZXGDPXHJSV-HPBDAGMYSA-N 2 1 315.461 2.141 10 0 DEAEMP Cn1ccnc1C[N@@H+](C[C@H]1CCSC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261948714 145245607 /nfs/dbraw/zinc/24/56/07/145245607.db2.gz NQLXXYDOIZOAFD-CABCVRRESA-N 2 1 320.506 2.117 10 0 DEAEMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261962798 145248031 /nfs/dbraw/zinc/24/80/31/145248031.db2.gz PSBSHNKOCUNRSM-XDNAFOTISA-N 2 1 323.525 2.244 10 0 DEAEMP Clc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261975755 145248860 /nfs/dbraw/zinc/24/88/60/145248860.db2.gz RCCQBNXYKJPPND-BRWVUGGUSA-N 2 1 324.852 2.466 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccc(F)cc1 ZINC000262036134 145255316 /nfs/dbraw/zinc/25/53/16/145255316.db2.gz XZZUHVNNGBRWEK-BNEJOLLZSA-N 2 1 322.424 2.340 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1F ZINC000262038501 145256292 /nfs/dbraw/zinc/25/62/92/145256292.db2.gz YHJIZKSHNRFTOK-YALNPMBYSA-N 2 1 322.424 2.340 10 0 DEAEMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258097 /nfs/dbraw/zinc/25/80/97/145258097.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258099 /nfs/dbraw/zinc/25/80/99/145258099.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 2 1 322.522 2.205 10 0 DEAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258100 /nfs/dbraw/zinc/25/81/00/145258100.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 2 1 322.522 2.205 10 0 DEAEMP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1cccc(F)c1 ZINC000262091623 145260260 /nfs/dbraw/zinc/26/02/60/145260260.db2.gz LMKVFBRXSCSWHS-RDTXWAMCSA-N 2 1 319.424 2.031 10 0 DEAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000370763214 148053933 /nfs/dbraw/zinc/05/39/33/148053933.db2.gz HBLJMKFFOJRCMX-OKZBNKHCSA-N 2 1 315.461 2.142 10 0 DEAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119094198 401925272 /nfs/dbraw/zinc/92/52/72/401925272.db2.gz MPJCYPSCVNETCH-AQFXKWCLSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119137685 401928505 /nfs/dbraw/zinc/92/85/05/401928505.db2.gz NZIVBCQTMQYOHM-CGZBRXJRSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000034532558 401893122 /nfs/dbraw/zinc/89/31/22/401893122.db2.gz YGBZVBILLZITTB-MSOLQXFVSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000034532558 401893124 /nfs/dbraw/zinc/89/31/24/401893124.db2.gz YGBZVBILLZITTB-MSOLQXFVSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000034532558 401893126 /nfs/dbraw/zinc/89/31/26/401893126.db2.gz YGBZVBILLZITTB-MSOLQXFVSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000121082584 402013917 /nfs/dbraw/zinc/01/39/17/402013917.db2.gz FLLCKASCHDJIRJ-ZDUSSCGKSA-N 2 1 312.404 2.489 10 0 DEAEMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000123245315 402117760 /nfs/dbraw/zinc/11/77/60/402117760.db2.gz YYUSDMJJOANNJV-YOEHRIQHSA-N 2 1 303.450 2.303 10 0 DEAEMP C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000122147663 402063683 /nfs/dbraw/zinc/06/36/83/402063683.db2.gz LFUKBRIIUKSAAX-LBDPXKHJSA-N 2 1 322.497 2.031 10 0 DEAEMP C[C@@H]1C[NH+](CC2CC[NH+](CCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000153461839 402147105 /nfs/dbraw/zinc/14/71/05/402147105.db2.gz KWXZJKIPNUPQJE-QZTJIDSGSA-N 3 1 323.525 2.294 10 0 DEAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106905642 402221334 /nfs/dbraw/zinc/22/13/34/402221334.db2.gz WIUKIYKPHOTIGD-AEFFLSMTSA-N 2 1 317.477 2.150 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000176331927 402300584 /nfs/dbraw/zinc/30/05/84/402300584.db2.gz KGDFCSPPYOOFSY-IRXDYDNUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000176331927 402300586 /nfs/dbraw/zinc/30/05/86/402300586.db2.gz KGDFCSPPYOOFSY-IRXDYDNUSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000176331927 402300587 /nfs/dbraw/zinc/30/05/87/402300587.db2.gz KGDFCSPPYOOFSY-IRXDYDNUSA-N 2 1 324.513 2.233 10 0 DEAEMP C[N@@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CCCC1 ZINC000176476763 402312992 /nfs/dbraw/zinc/31/29/92/402312992.db2.gz ZIYVNRKCZOWGJE-ZXFUBFMLSA-N 2 1 322.497 2.175 10 0 DEAEMP C[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000176476763 402312993 /nfs/dbraw/zinc/31/29/93/402312993.db2.gz ZIYVNRKCZOWGJE-ZXFUBFMLSA-N 2 1 322.497 2.175 10 0 DEAEMP C[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000176476763 402312996 /nfs/dbraw/zinc/31/29/96/402312996.db2.gz ZIYVNRKCZOWGJE-ZXFUBFMLSA-N 2 1 322.497 2.175 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177164960 402376882 /nfs/dbraw/zinc/37/68/82/402376882.db2.gz BKJHITGNDLGZNY-KRWDZBQOSA-N 2 1 318.465 2.303 10 0 DEAEMP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000237489568 402410116 /nfs/dbraw/zinc/41/01/16/402410116.db2.gz IUJZDQAGMBEBFJ-NRKLIOEPSA-N 2 1 307.482 2.144 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246962853 402550707 /nfs/dbraw/zinc/55/07/07/402550707.db2.gz JWLBDBMIPHLSKL-HUUCEWRRSA-N 2 1 312.502 2.136 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247482213 402568999 /nfs/dbraw/zinc/56/89/99/402568999.db2.gz STNDPNAHEWOQOP-PBHICJAKSA-N 2 1 301.434 2.057 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C)C1 ZINC000248622437 402599450 /nfs/dbraw/zinc/59/94/50/402599450.db2.gz DFFUMKLGBDUUQF-HOTGVXAUSA-N 2 1 309.498 2.474 10 0 DEAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249982129 402643683 /nfs/dbraw/zinc/64/36/83/402643683.db2.gz YSVWZOOCZYZVIT-QAPCUYQASA-N 2 1 306.450 2.015 10 0 DEAEMP COc1ccccc1[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCCCC1 ZINC000261721932 402716539 /nfs/dbraw/zinc/71/65/39/402716539.db2.gz FXHOMEGGYDIPBY-MRXNPFEDSA-N 2 1 316.449 2.161 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182376047 402685114 /nfs/dbraw/zinc/68/51/14/402685114.db2.gz AVANSJHXFFACOW-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263238900 402748885 /nfs/dbraw/zinc/74/88/85/402748885.db2.gz OILGQKDLBBKMMR-WMZOPIPTSA-N 2 1 312.413 2.032 10 0 DEAEMP COc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263238897 402748937 /nfs/dbraw/zinc/74/89/37/402748937.db2.gz OILGQKDLBBKMMR-FUHWJXTLSA-N 2 1 312.413 2.032 10 0 DEAEMP COc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263238898 402749139 /nfs/dbraw/zinc/74/91/39/402749139.db2.gz OILGQKDLBBKMMR-SJLPKXTDSA-N 2 1 312.413 2.032 10 0 DEAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000263273187 402752658 /nfs/dbraw/zinc/75/26/58/402752658.db2.gz SLJKKQSPFRFOFH-IUODEOHRSA-N 2 1 322.355 2.111 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263304276 402756463 /nfs/dbraw/zinc/75/64/63/402756463.db2.gz XOWDTJPYYSUREB-OLZOCXBDSA-N 2 1 317.424 2.000 10 0 DEAEMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263316716 402757897 /nfs/dbraw/zinc/75/78/97/402757897.db2.gz ZNKTUJMSGLCSBM-ZWKOTPCHSA-N 2 1 312.413 2.032 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175773760 402831236 /nfs/dbraw/zinc/83/12/36/402831236.db2.gz OQEHQWSTWHEKFK-GOEBONIOSA-N 2 1 321.469 2.096 10 0 DEAEMP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516199 402849758 /nfs/dbraw/zinc/84/97/58/402849758.db2.gz OTRKVVRORDNKHV-HUUCEWRRSA-N 2 1 304.438 2.039 10 0 DEAEMP O[C@]1(C[NH2+][C@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000341245699 403863093 /nfs/dbraw/zinc/86/30/93/403863093.db2.gz DFXRLXLCVWWLHK-IRXDYDNUSA-N 2 1 306.475 2.109 10 0 DEAEMP O[C@]1(C[NH2+][C@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000341245699 403863100 /nfs/dbraw/zinc/86/31/00/403863100.db2.gz DFXRLXLCVWWLHK-IRXDYDNUSA-N 2 1 306.475 2.109 10 0 DEAEMP c1[nH]nc(-c2cccnc2)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414880072 404756697 /nfs/dbraw/zinc/75/66/97/404756697.db2.gz PRTMBCOUSZAUBH-UHFFFAOYSA-N 2 1 322.416 2.136 10 0 DEAEMP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724289 406248924 /nfs/dbraw/zinc/24/89/24/406248924.db2.gz NIFKNXAJBWHOMZ-YTQUADARSA-N 2 1 320.477 2.130 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CC1 ZINC000525302086 406483469 /nfs/dbraw/zinc/48/34/69/406483469.db2.gz MAASISONIBQAKI-KRWDZBQOSA-N 2 1 324.513 2.234 10 0 DEAEMP C[C@H](CCNC(=O)CCC1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000638132717 406587812 /nfs/dbraw/zinc/58/78/12/406587812.db2.gz SDCPEJVBBCXXCS-OAHLLOKOSA-N 2 1 303.450 2.013 10 0 DEAEMP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000638300411 406683274 /nfs/dbraw/zinc/68/32/74/406683274.db2.gz FORDJWKEZUQISA-NVXWUHKLSA-N 2 1 305.466 2.387 10 0 DEAEMP CC(C)c1nc(CN2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)cs1 ZINC000130821070 196113068 /nfs/dbraw/zinc/11/30/68/196113068.db2.gz NIBKIIGQDVDXEK-HNNXBMFYSA-N 2 1 308.495 2.264 10 0 DEAEMP Cn1cc[nH+]c1CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000105876674 424849591 /nfs/dbraw/zinc/84/95/91/424849591.db2.gz JFUHBGKLNKVPQD-UHFFFAOYSA-N 2 1 305.344 2.254 10 0 DEAEMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028412 424913055 /nfs/dbraw/zinc/91/30/55/424913055.db2.gz FAKPXAQLDKFVQP-HZPDHXFCSA-N 2 1 302.418 2.422 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000387028412 424913057 /nfs/dbraw/zinc/91/30/57/424913057.db2.gz FAKPXAQLDKFVQP-HZPDHXFCSA-N 2 1 302.418 2.422 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390715914 424917341 /nfs/dbraw/zinc/91/73/41/424917341.db2.gz CLTGBNYEXIIQLW-KSZLIROESA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390777111 424917894 /nfs/dbraw/zinc/91/78/94/424917894.db2.gz OBPKHNKXGSURSA-DOTOQJQBSA-N 2 1 303.450 2.142 10 0 DEAEMP C[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425666 424932282 /nfs/dbraw/zinc/93/22/82/424932282.db2.gz KDEWXNXHZAZUDN-ZWKOTPCHSA-N 2 1 315.461 2.155 10 0 DEAEMP [NH3+]C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000303090357 424892785 /nfs/dbraw/zinc/89/27/85/424892785.db2.gz SJPLRLVRIISRBV-ABHNRTSZSA-N 2 1 315.461 2.285 10 0 DEAEMP CCC[NH+](CCO)CCCNc1cc(C)c2ccccc2[nH+]1 ZINC000584603133 424991326 /nfs/dbraw/zinc/99/13/26/424991326.db2.gz OIPKBTCUQCRFGZ-UHFFFAOYSA-N 2 1 301.434 3.050 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659316702 425575500 /nfs/dbraw/zinc/57/55/00/425575500.db2.gz RIYNGQRMXXHZPW-HNNXBMFYSA-N 2 1 315.461 2.285 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667826 279276014 /nfs/dbraw/zinc/27/60/14/279276014.db2.gz ZNZZSZNTLDZSLX-IRXDYDNUSA-N 2 1 307.482 2.338 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246332127 279293626 /nfs/dbraw/zinc/29/36/26/279293626.db2.gz BBKDFGDVBBBMQM-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)C1C[NH2+]C1 ZINC000262322835 298196283 /nfs/dbraw/zinc/19/62/83/298196283.db2.gz FNLWHPXLIOHPJV-ZDUSSCGKSA-N 2 1 319.474 2.029 10 0 DEAEMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328639412 534387142 /nfs/dbraw/zinc/38/71/42/534387142.db2.gz PLPDLLANWMPJJH-LBPRGKRZSA-N 2 1 316.371 2.062 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248882282 524830909 /nfs/dbraw/zinc/83/09/09/524830909.db2.gz SNCZXFVBUKEZMF-CYJAXWMASA-N 2 1 317.477 2.387 10 0 DEAEMP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248132199 535275938 /nfs/dbraw/zinc/27/59/38/535275938.db2.gz WSKJKHXLBXQSFU-HKUYNNGSSA-N 2 1 315.461 2.280 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)[C@@H](C)C1 ZINC000246290571 535769051 /nfs/dbraw/zinc/76/90/51/535769051.db2.gz CJLKGSWBWAUASG-KBPBESRZSA-N 2 1 309.479 2.188 10 0 DEAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262393056 535819684 /nfs/dbraw/zinc/81/96/84/535819684.db2.gz PXMAFBMOUKUJRO-XHSDSOJGSA-N 2 1 309.498 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315.461 2.157 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309684981 539878188 /nfs/dbraw/zinc/87/81/88/539878188.db2.gz BJLSUBUAPPPMGB-BPQIPLTHSA-N 2 1 317.477 2.387 10 0 DEAEMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309756374 282866727 /nfs/dbraw/zinc/86/67/27/282866727.db2.gz XBFJUUZAHDKOBE-HNNXBMFYSA-N 2 1 322.453 2.428 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073653913 191336474 /nfs/dbraw/zinc/33/64/74/191336474.db2.gz POMKOBAUCWGIMM-WZYMTQMTSA-N 2 1 310.486 2.031 10 0 DEAEMP C[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1([C@@H]2CC[NH2+]C2)CC1 ZINC000140826170 355887296 /nfs/dbraw/zinc/88/72/96/355887296.db2.gz IGFAVUFQUWEVGQ-CQSZACIVSA-N 2 1 323.481 2.460 10 0 DEAEMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000607671310 361104307 /nfs/dbraw/zinc/10/43/07/361104307.db2.gz DDUZNMSMGSXPRH-YCPHGPKFSA-N 2 1 321.490 2.199 10 0 DEAEMP 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1 322.497 2.010 10 0 DEAEMP COc1cccc([C@@H](C)[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000079464403 401873288 /nfs/dbraw/zinc/87/32/88/401873288.db2.gz JRFGCHLHSHTJFO-HZPDHXFCSA-N 2 1 304.434 2.410 10 0 DEAEMP CN(Cc1ccco1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972018 401991484 /nfs/dbraw/zinc/99/14/84/401991484.db2.gz JNXCZKVLIPOMJH-UHFFFAOYSA-N 2 1 319.449 2.046 10 0 DEAEMP CC[C@@H]1CCCCC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093530202 402016739 /nfs/dbraw/zinc/01/67/39/402016739.db2.gz VLLPPSCDUNGJAM-QGZVFWFLSA-N 2 1 317.481 2.383 10 0 DEAEMP CC[C@@H]1CCCCC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093530202 402016740 /nfs/dbraw/zinc/01/67/40/402016740.db2.gz VLLPPSCDUNGJAM-QGZVFWFLSA-N 2 1 317.481 2.383 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915831 402222326 /nfs/dbraw/zinc/22/23/26/402222326.db2.gz WAIIIIMADSEUJS-NVXWUHKLSA-N 2 1 305.466 2.006 10 0 DEAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236709783 402376244 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CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246771407 402544213 /nfs/dbraw/zinc/54/42/13/402544213.db2.gz NUWNZLIYHIQAJI-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246771407 402544216 /nfs/dbraw/zinc/54/42/16/402544216.db2.gz NUWNZLIYHIQAJI-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246771407 402544218 /nfs/dbraw/zinc/54/42/18/402544218.db2.gz NUWNZLIYHIQAJI-SJORKVTESA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246771394 402544323 /nfs/dbraw/zinc/54/43/23/402544323.db2.gz NUWNZLIYHIQAJI-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246771394 402544327 /nfs/dbraw/zinc/54/43/27/402544327.db2.gz NUWNZLIYHIQAJI-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246771394 402544331 /nfs/dbraw/zinc/54/43/31/402544331.db2.gz NUWNZLIYHIQAJI-IRXDYDNUSA-N 2 1 322.497 2.131 10 0 DEAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000247042679 402554670 /nfs/dbraw/zinc/55/46/70/402554670.db2.gz ICNJZYRMSBLSEI-PVAVHDDUSA-N 2 1 303.450 2.134 10 0 DEAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000247042679 402554673 /nfs/dbraw/zinc/55/46/73/402554673.db2.gz ICNJZYRMSBLSEI-PVAVHDDUSA-N 2 1 303.450 2.134 10 0 DEAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246341737 402526342 /nfs/dbraw/zinc/52/63/42/402526342.db2.gz OVLLSFJPSVARLE-BZUAXINKSA-N 2 1 312.502 2.087 10 0 DEAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000178688096 402526444 /nfs/dbraw/zinc/52/64/44/402526444.db2.gz WAFOKBIQKUUCJH-IAGOWNOFSA-N 2 1 324.513 2.234 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170830037 402530294 /nfs/dbraw/zinc/53/02/94/402530294.db2.gz OTJRRYAHTMCVDH-BBWFWOEESA-N 2 1 324.513 2.090 10 0 DEAEMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000190137306 402578425 /nfs/dbraw/zinc/57/84/25/402578425.db2.gz FSDRDBRJVPNJMG-INIZCTEOSA-N 2 1 312.502 2.234 10 0 DEAEMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000180147902 402608334 /nfs/dbraw/zinc/60/83/34/402608334.db2.gz HZZLZZMFSVSIRV-HQSKLWIPSA-N 2 1 313.445 2.002 10 0 DEAEMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000180147902 402608337 /nfs/dbraw/zinc/60/83/37/402608337.db2.gz HZZLZZMFSVSIRV-HQSKLWIPSA-N 2 1 313.445 2.002 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000249748063 402640112 /nfs/dbraw/zinc/64/01/12/402640112.db2.gz AJMXIMNFPBYHDT-SJORKVTESA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249748063 402640114 /nfs/dbraw/zinc/64/01/14/402640114.db2.gz AJMXIMNFPBYHDT-SJORKVTESA-N 2 1 324.513 2.282 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249748063 402640116 /nfs/dbraw/zinc/64/01/16/402640116.db2.gz AJMXIMNFPBYHDT-SJORKVTESA-N 2 1 324.513 2.282 10 0 DEAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000249842735 402642319 /nfs/dbraw/zinc/64/23/19/402642319.db2.gz YHHCLRIYWKTISU-DLBZAZTESA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000249842735 402642321 /nfs/dbraw/zinc/64/23/21/402642321.db2.gz YHHCLRIYWKTISU-DLBZAZTESA-N 2 1 324.513 2.280 10 0 DEAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000249842735 402642323 /nfs/dbraw/zinc/64/23/23/402642323.db2.gz YHHCLRIYWKTISU-DLBZAZTESA-N 2 1 324.513 2.280 10 0 DEAEMP CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000252537927 402658259 /nfs/dbraw/zinc/65/82/59/402658259.db2.gz BVUQGZAQZXJXDB-RDJZCZTQSA-N 2 1 324.513 2.375 10 0 DEAEMP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1C ZINC000173395663 402696011 /nfs/dbraw/zinc/69/60/11/402696011.db2.gz KNCKRNWPPUGNEL-JKSUJKDBSA-N 2 1 324.513 2.375 10 0 DEAEMP CCNC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686364 402788782 /nfs/dbraw/zinc/78/87/82/402788782.db2.gz FZJMWUAUOMTHKF-ZDUSSCGKSA-N 2 1 300.406 2.358 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000175438562 402806481 /nfs/dbraw/zinc/80/64/81/402806481.db2.gz QZMBZRNJGQCRPE-BRWVUGGUSA-N 2 1 307.482 2.336 10 0 DEAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000195196908 402835940 /nfs/dbraw/zinc/83/59/40/402835940.db2.gz PPNNXKQBQLRZQZ-KBAYOESNSA-N 2 1 310.482 2.113 10 0 DEAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000195196908 402835943 /nfs/dbraw/zinc/83/59/43/402835943.db2.gz PPNNXKQBQLRZQZ-KBAYOESNSA-N 2 1 310.482 2.113 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000333358960 403733490 /nfs/dbraw/zinc/73/34/90/403733490.db2.gz KUBZDLAYYJZTRV-OAGGEKHMSA-N 2 1 310.486 2.018 10 0 DEAEMP NC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000302872339 403737869 /nfs/dbraw/zinc/73/78/69/403737869.db2.gz OICCNGCLPLMKTB-UHFFFAOYSA-N 2 1 315.461 2.285 10 0 DEAEMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333549403 403778093 /nfs/dbraw/zinc/77/80/93/403778093.db2.gz KBUFDSMGEUKCSS-WBVHZDCISA-N 2 1 322.497 2.225 10 0 DEAEMP C(CC[NH+]1CCO[C@@H](C2CC2)C1)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000368793085 403860135 /nfs/dbraw/zinc/86/01/35/403860135.db2.gz RUVBOJKTPNZLIZ-RTBURBONSA-N 2 1 322.493 2.378 10 0 DEAEMP CC(C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363126695 404084850 /nfs/dbraw/zinc/08/48/50/404084850.db2.gz MVPKPWMAFOTGGV-UHFFFAOYSA-N 2 1 324.513 2.233 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000436287252 405066718 /nfs/dbraw/zinc/06/67/18/405066718.db2.gz ISZJYPQYEDTOMW-LVQVYYBASA-N 2 1 310.388 2.398 10 0 DEAEMP c1nnc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n1C1CC1 ZINC000420364357 405333121 /nfs/dbraw/zinc/33/31/21/405333121.db2.gz QPLDKAXPOFIWAK-HUUCEWRRSA-N 2 1 303.454 2.182 10 0 DEAEMP c1cc(C[N@@H+]2CCCSCC2)ccc1C[NH+]1CCOCC1 ZINC000420932465 405408666 /nfs/dbraw/zinc/40/86/66/405408666.db2.gz HDUAHWOYNSACLQ-UHFFFAOYSA-N 2 1 306.475 2.458 10 0 DEAEMP c1cc(C[N@H+]2CCCSCC2)ccc1C[NH+]1CCOCC1 ZINC000420932465 405408668 /nfs/dbraw/zinc/40/86/68/405408668.db2.gz HDUAHWOYNSACLQ-UHFFFAOYSA-N 2 1 306.475 2.458 10 0 DEAEMP c1cncc(CNCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000423184436 405713445 /nfs/dbraw/zinc/71/34/45/405713445.db2.gz IBUDWGCMUHWMKK-GUDVDZBRSA-N 2 1 316.493 2.462 10 0 DEAEMP [NH3+]CCCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851525 405715018 /nfs/dbraw/zinc/71/50/18/405715018.db2.gz NPFQIAQXIGLKIM-QGZVFWFLSA-N 2 1 303.450 2.286 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)C2 ZINC000457207156 405752374 /nfs/dbraw/zinc/75/23/74/405752374.db2.gz BBAITZMOFDGEHM-GFCCVEGCSA-N 2 1 306.454 2.094 10 0 DEAEMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918413 406455296 /nfs/dbraw/zinc/45/52/96/406455296.db2.gz IBRIRFVNDXTUMY-YTQUADARSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918413 406455300 /nfs/dbraw/zinc/45/53/00/406455300.db2.gz IBRIRFVNDXTUMY-YTQUADARSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570918413 406455304 /nfs/dbraw/zinc/45/53/04/406455304.db2.gz IBRIRFVNDXTUMY-YTQUADARSA-N 3 1 301.478 2.486 10 0 DEAEMP CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000638081428 406560371 /nfs/dbraw/zinc/56/03/71/406560371.db2.gz YUNHSAUXRIBHSY-NVXWUHKLSA-N 2 1 303.450 2.155 10 0 DEAEMP CCCc1nc(CN2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)cs1 ZINC000130772563 196108664 /nfs/dbraw/zinc/10/86/64/196108664.db2.gz AFSSIXQYPPDRJI-OAHLLOKOSA-N 2 1 308.495 2.093 10 0 DEAEMP CC(C)c1nc(CN2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)cs1 ZINC000130821310 196113462 /nfs/dbraw/zinc/11/34/62/196113462.db2.gz NIBKIIGQDVDXEK-OAHLLOKOSA-N 2 1 308.495 2.264 10 0 DEAEMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2c3ccccc3NC2=O)[C@H](C)C1 ZINC000133971414 196350630 /nfs/dbraw/zinc/35/06/30/196350630.db2.gz LDVCUEWDZCICMF-BMFZPTHFSA-N 2 1 301.434 2.432 10 0 DEAEMP C[N@H+]1CCC[C@@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000134376030 196384019 /nfs/dbraw/zinc/38/40/19/196384019.db2.gz YOHUSHAPZBUHGU-CQSZACIVSA-N 2 1 323.238 2.048 10 0 DEAEMP CCCCCNC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876242 424849481 /nfs/dbraw/zinc/84/94/81/424849481.db2.gz SOCCHDTTWHZWFB-HNNXBMFYSA-N 2 1 320.481 2.370 10 0 DEAEMP CC(C)[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](C)[NH3+] ZINC000399369722 424922052 /nfs/dbraw/zinc/92/20/52/424922052.db2.gz KFTYGLJSOKGLNX-RYRKJORJSA-N 2 1 317.477 2.339 10 0 DEAEMP CC(C)[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](C)[NH3+] ZINC000399369722 424922053 /nfs/dbraw/zinc/92/20/53/424922053.db2.gz KFTYGLJSOKGLNX-RYRKJORJSA-N 2 1 317.477 2.339 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000085401172 267386962 /nfs/dbraw/zinc/38/69/62/267386962.db2.gz PNBCAHWLBVIXRB-RDJZCZTQSA-N 2 1 324.513 2.090 10 0 DEAEMP CCO[C@H]1C[C@]([NH3+])(c2nc(-c3ccc(C[NH3+])cc3)no2)C1(C)C ZINC000262070035 276367288 /nfs/dbraw/zinc/36/72/88/276367288.db2.gz RYXPVCVNYWXSEK-GUYCJALGSA-N 2 1 316.405 2.184 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000175385659 276378695 /nfs/dbraw/zinc/37/86/95/276378695.db2.gz UAPZPGXDSFUHFU-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175385659 276378697 /nfs/dbraw/zinc/37/86/97/276378697.db2.gz UAPZPGXDSFUHFU-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000175385659 276378698 /nfs/dbraw/zinc/37/86/98/276378698.db2.gz UAPZPGXDSFUHFU-KRWDZBQOSA-N 2 1 322.497 2.131 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000247564885 288309825 /nfs/dbraw/zinc/30/98/25/288309825.db2.gz VKDIEMZWQDBXAL-OWCLPIDISA-N 2 1 324.513 2.231 10 0 DEAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000113576715 297093577 /nfs/dbraw/zinc/09/35/77/297093577.db2.gz XYZKXULLXAJXDV-UKRRQHHQSA-N 2 1 322.497 2.174 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448281083 528221090 /nfs/dbraw/zinc/22/10/90/528221090.db2.gz KWUVHZUJOBUMAC-CGTJXYLNSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281083 528221095 /nfs/dbraw/zinc/22/10/95/528221095.db2.gz KWUVHZUJOBUMAC-CGTJXYLNSA-N 2 1 319.493 2.336 10 0 DEAEMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448281083 528221104 /nfs/dbraw/zinc/22/11/04/528221104.db2.gz KWUVHZUJOBUMAC-CGTJXYLNSA-N 2 1 319.493 2.336 10 0 DEAEMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261814612 535759874 /nfs/dbraw/zinc/75/98/74/535759874.db2.gz HPVDOSXLMRWVOL-JKSUJKDBSA-N 2 1 303.450 2.265 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261545471 646981179 /nfs/dbraw/zinc/98/11/79/646981179.db2.gz KBSKPSJORUVOTR-NVXWUHKLSA-N 2 1 303.450 2.155 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380924998 685398776 /nfs/dbraw/zinc/39/87/76/685398776.db2.gz BRDXILJRZSSCRR-MOPGFXCFSA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000380924998 685398783 /nfs/dbraw/zinc/39/87/83/685398783.db2.gz BRDXILJRZSSCRR-MOPGFXCFSA-N 2 1 319.493 2.242 10 0 DEAEMP CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634420 792982807 /nfs/dbraw/zinc/98/28/07/792982807.db2.gz AVZVBDJXJYSYGJ-RDGPPVDQSA-N 2 1 318.461 2.027 10 0 DEAEMP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NC ZINC000716714781 793003808 /nfs/dbraw/zinc/00/38/08/793003808.db2.gz WFZWQQCKJNUPMB-XWTMOSNGSA-N 2 1 315.461 2.154 10 0 DEAEMP [NH3+]C[C@@](O)(C[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088439788 185250869 /nfs/dbraw/zinc/25/08/69/185250869.db2.gz LXRSRPLSAMJSJW-CQSZACIVSA-N 2 1 302.340 2.107 10 0 DEAEMP CC[NH2+]Cc1c(N(C)C[C@@H]2CCC[N@H+]2C)nc2sccn12 ZINC000092633004 185330355 /nfs/dbraw/zinc/33/03/55/185330355.db2.gz AXCJUAPAZLPFHQ-LBPRGKRZSA-N 2 1 307.467 2.036 10 0 DEAEMP Cn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000273045040 539801545 /nfs/dbraw/zinc/80/15/45/539801545.db2.gz JGSDACYNEDOADO-BHIYHBOVSA-N 2 1 310.445 2.420 10 0 DEAEMP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309717732 539877918 /nfs/dbraw/zinc/87/79/18/539877918.db2.gz MMXCVISXNMQWSX-WDYCEAGBSA-N 2 1 315.461 2.155 10 0 DEAEMP OC[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC12CC[NH2+]CC2 ZINC000169782190 355982999 /nfs/dbraw/zinc/98/29/99/355982999.db2.gz LGGRECNOAGEKEK-CYBMUJFWSA-N 2 1 312.816 2.273 10 0 DEAEMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623897626 365213454 /nfs/dbraw/zinc/21/34/54/365213454.db2.gz QJVXBCKFNJLLPU-QXAKKESOSA-N 2 1 318.461 2.171 10 0 DEAEMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623897626 365213456 /nfs/dbraw/zinc/21/34/56/365213456.db2.gz QJVXBCKFNJLLPU-QXAKKESOSA-N 2 1 318.461 2.171 10 0 DEAEMP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188509 365326191 /nfs/dbraw/zinc/32/61/91/365326191.db2.gz RXXORPHGUVXCFS-RTBURBONSA-N 2 1 321.509 2.236 10 0 DEAEMP CCC[N@H+](CC(=O)Nc1nc(C)cs1)CC1CC[NH2+]CC1 ZINC000094025626 193340182 /nfs/dbraw/zinc/34/01/82/193340182.db2.gz AYCRIEWWZJLTHN-UHFFFAOYSA-N 2 1 310.467 2.102 10 0 DEAEMP C[C@@H]1C[C@@](C[NH3+])(N2CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000094473230 193372651 /nfs/dbraw/zinc/37/26/51/193372651.db2.gz ICTQEYHJDKCYTR-WBVHZDCISA-N 2 1 305.491 2.027 10 0 DEAEMP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333879 245075933 /nfs/dbraw/zinc/07/59/33/245075933.db2.gz WPDHMXLTVURXCH-NXHRZFHOSA-N 2 1 315.461 2.107 10 0 DEAEMP CCN1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333879 245075950 /nfs/dbraw/zinc/07/59/50/245075950.db2.gz WPDHMXLTVURXCH-NXHRZFHOSA-N 2 1 315.461 2.107 10 0 DEAEMP C[N@H+](CCCCCNC(=O)c1ccccn1)C1CC[NH+](C)CC1 ZINC000041567392 183203692 /nfs/dbraw/zinc/20/36/92/183203692.db2.gz LXHNIJAUAPHLCK-UHFFFAOYSA-N 2 1 318.465 2.008 10 0 DEAEMP C[N@@H+](CCCCCNC(=O)c1ccccn1)C1CC[NH+](C)CC1 ZINC000041567392 183203695 /nfs/dbraw/zinc/20/36/95/183203695.db2.gz LXHNIJAUAPHLCK-UHFFFAOYSA-N 2 1 318.465 2.008 10 0 DEAEMP Cc1cccc(OCC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000106126464 194187955 /nfs/dbraw/zinc/18/79/55/194187955.db2.gz LCTXOCROYBVYDQ-QGZVFWFLSA-N 2 1 320.477 2.398 10 0 DEAEMP Cc1cccc(OCC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000106126469 194188303 /nfs/dbraw/zinc/18/83/03/194188303.db2.gz LCTXOCROYBVYDQ-KRWDZBQOSA-N 2 1 320.477 2.398 10 0 DEAEMP C[C@H](C[NH3+])N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000109454027 194264546 /nfs/dbraw/zinc/26/45/46/194264546.db2.gz BLQTYVYMTVBIPY-GFCCVEGCSA-N 2 1 304.825 2.357 10 0 DEAEMP COCC[N@@H+](CC(C)C)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052508718 183862514 /nfs/dbraw/zinc/86/25/14/183862514.db2.gz RBICELDSANXLMZ-DLBZAZTESA-N 2 1 300.487 2.384 10 0 DEAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCOCC)C(=O)OC ZINC000157479920 197190864 /nfs/dbraw/zinc/19/08/64/197190864.db2.gz QHIVOJNFIUAVKO-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCOCC)C(=O)OC ZINC000157479920 197190866 /nfs/dbraw/zinc/19/08/66/197190866.db2.gz QHIVOJNFIUAVKO-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP NC1=[NH+]C[C@]2(CC[N@H+]3CCC[C@@H]3C2)N1c1cccc(Cl)c1 ZINC000157244070 197172310 /nfs/dbraw/zinc/17/23/10/197172310.db2.gz QTBOYEUXVWBOOH-GDBMZVCRSA-N 2 1 304.825 2.472 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000177314515 285235461 /nfs/dbraw/zinc/23/54/61/285235461.db2.gz XEXSCALNSPEGAB-MRXNPFEDSA-N 2 1 324.513 2.377 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111836884 285267289 /nfs/dbraw/zinc/26/72/89/285267289.db2.gz ONOLCDLGBFVQTQ-KRWDZBQOSA-N 2 1 324.513 2.426 10 0 DEAEMP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261874481 533367405 /nfs/dbraw/zinc/36/74/05/533367405.db2.gz DLQYXNDNVYVYCG-KSZLIROESA-N 2 1 310.482 2.473 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000358181066 133126590 /nfs/dbraw/zinc/12/65/90/133126590.db2.gz BYPRQFPAVYMTNS-KRWDZBQOSA-N 2 1 322.497 2.060 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000358179718 133126696 /nfs/dbraw/zinc/12/66/96/133126696.db2.gz BHDLROVPRSTTEE-UHFFFAOYSA-N 2 1 322.497 2.201 10 0 DEAEMP O=C(CC1CC[NH+](CCC[NH+]2CCCC2)CC1)N1CCCC1 ZINC000193471994 145086728 /nfs/dbraw/zinc/08/67/28/145086728.db2.gz UGFHAPBLEBFZEB-UHFFFAOYSA-N 2 1 307.482 2.197 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC000247108451 145126441 /nfs/dbraw/zinc/12/64/41/145126441.db2.gz QXSBISPIFKXHFK-CZUORRHYSA-N 2 1 304.438 2.103 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC000247108451 145126442 /nfs/dbraw/zinc/12/64/42/145126442.db2.gz QXSBISPIFKXHFK-CZUORRHYSA-N 2 1 304.438 2.103 10 0 DEAEMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247160417 145128253 /nfs/dbraw/zinc/12/82/53/145128253.db2.gz USYQZZRJKGDUQP-ZBFHGGJFSA-N 2 1 321.469 2.096 10 0 DEAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247160417 145128255 /nfs/dbraw/zinc/12/82/55/145128255.db2.gz USYQZZRJKGDUQP-ZBFHGGJFSA-N 2 1 321.469 2.096 10 0 DEAEMP C[C@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248828816 145169302 /nfs/dbraw/zinc/16/93/02/145169302.db2.gz APXBVRKYRCBVTB-ZOBUZTSGSA-N 2 1 303.450 2.283 10 0 DEAEMP C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000261648902 145213998 /nfs/dbraw/zinc/21/39/98/145213998.db2.gz BFAACWOCWQMLMD-IIDMSEBBSA-N 2 1 315.461 2.019 10 0 DEAEMP COCCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261680704 145216158 /nfs/dbraw/zinc/21/61/58/145216158.db2.gz GXYKBPOXIBCEBE-KRWDZBQOSA-N 2 1 322.449 2.280 10 0 DEAEMP COCCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC ZINC000261680704 145216159 /nfs/dbraw/zinc/21/61/59/145216159.db2.gz GXYKBPOXIBCEBE-KRWDZBQOSA-N 2 1 322.449 2.280 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(F)c1 ZINC000261905707 145240141 /nfs/dbraw/zinc/24/01/41/145240141.db2.gz IEHRVUZYETUZHL-RNJTYBCJSA-N 2 1 322.424 2.340 10 0 DEAEMP CCC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261931329 145243540 /nfs/dbraw/zinc/24/35/40/145243540.db2.gz WGIYRESEYYWZBJ-HOTGVXAUSA-N 2 1 309.498 2.393 10 0 DEAEMP Clc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261975758 145248909 /nfs/dbraw/zinc/24/89/09/145248909.db2.gz RCCQBNXYKJPPND-ZACQAIPSSA-N 2 1 324.852 2.466 10 0 DEAEMP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000262121949 145263863 /nfs/dbraw/zinc/26/38/63/145263863.db2.gz IUJZDQAGMBEBFJ-MTSZKFMLSA-N 2 1 307.482 2.144 10 0 DEAEMP CCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262469070 145285546 /nfs/dbraw/zinc/28/55/46/145285546.db2.gz YBAGAEXSJXBNSQ-HLLBOEOZSA-N 2 1 303.450 2.265 10 0 DEAEMP COCC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000336655117 145396374 /nfs/dbraw/zinc/39/63/74/145396374.db2.gz FTSSNILWHJGHRH-GOSISDBHSA-N 2 1 306.450 2.292 10 0 DEAEMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000127327280 401728968 /nfs/dbraw/zinc/72/89/68/401728968.db2.gz ZZIPBMUDHBIPJX-GDBMZVCRSA-N 2 1 322.497 2.033 10 0 DEAEMP CC(C)CCOCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399842 401851207 /nfs/dbraw/zinc/85/12/07/401851207.db2.gz FXBWVSWUWDWQMX-GOSISDBHSA-N 2 1 311.514 2.151 10 0 DEAEMP CC(C)CCOCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399842 401851209 /nfs/dbraw/zinc/85/12/09/401851209.db2.gz FXBWVSWUWDWQMX-GOSISDBHSA-N 2 1 311.514 2.151 10 0 DEAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000119137834 401928440 /nfs/dbraw/zinc/92/84/40/401928440.db2.gz NZIVBCQTMQYOHM-AQFXKWCLSA-N 2 1 324.513 2.090 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[NH+](C)C)cc1 ZINC000133849054 401895304 /nfs/dbraw/zinc/89/53/04/401895304.db2.gz VYSJQCKVDDIYIF-ZDUSSCGKSA-N 2 1 315.421 2.103 10 0 DEAEMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000120177320 401981113 /nfs/dbraw/zinc/98/11/13/401981113.db2.gz SBRIHCAKBDGFLS-AWEZNQCLSA-N 2 1 315.421 2.341 10 0 DEAEMP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969951 401991243 /nfs/dbraw/zinc/99/12/43/401991243.db2.gz XMYOPMYCDGYBAY-FUHWJXTLSA-N 2 1 321.509 2.489 10 0 DEAEMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969942 401991402 /nfs/dbraw/zinc/99/14/02/401991402.db2.gz XMYOPMYCDGYBAY-AEFFLSMTSA-N 2 1 321.509 2.489 10 0 DEAEMP CCC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC000135516319 401943234 /nfs/dbraw/zinc/94/32/34/401943234.db2.gz HXFJGDITFWWHQD-CRAIPNDOSA-N 2 1 317.477 2.280 10 0 DEAEMP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123321175 402121472 /nfs/dbraw/zinc/12/14/72/402121472.db2.gz PAVPYNGEIOJNPP-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123321175 402121474 /nfs/dbraw/zinc/12/14/74/402121474.db2.gz PAVPYNGEIOJNPP-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123321175 402121476 /nfs/dbraw/zinc/12/14/76/402121476.db2.gz PAVPYNGEIOJNPP-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123321175 402121478 /nfs/dbraw/zinc/12/14/78/402121478.db2.gz PAVPYNGEIOJNPP-GOEBONIOSA-N 2 1 319.449 2.438 10 0 DEAEMP CCOC(=O)c1c[nH+]c2cc(C)cc(C)c2c1N1CC[NH2+]CC1 ZINC000053994921 402061242 /nfs/dbraw/zinc/06/12/42/402061242.db2.gz GCNVOGOQIIKMCX-UHFFFAOYSA-N 2 1 313.401 2.438 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000176331906 402300612 /nfs/dbraw/zinc/30/06/12/402300612.db2.gz KGDFCSPPYOOFSY-DLBZAZTESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000176331906 402300614 /nfs/dbraw/zinc/30/06/14/402300614.db2.gz KGDFCSPPYOOFSY-DLBZAZTESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000176331906 402300615 /nfs/dbraw/zinc/30/06/15/402300615.db2.gz KGDFCSPPYOOFSY-DLBZAZTESA-N 2 1 324.513 2.233 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176642189 402325859 /nfs/dbraw/zinc/32/58/59/402325859.db2.gz RZPBPZAVXDACLB-WCXIOVBPSA-N 2 1 322.497 2.127 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000177386590 402396765 /nfs/dbraw/zinc/39/67/65/402396765.db2.gz ZTHAXZLTABCUCA-KRWDZBQOSA-N 2 1 324.513 2.233 10 0 DEAEMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C12CCOCC2 ZINC000186220412 402412042 /nfs/dbraw/zinc/41/20/42/402412042.db2.gz KGWONEBAEQDKCS-IRXDYDNUSA-N 2 1 308.466 2.177 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000177852682 402441203 /nfs/dbraw/zinc/44/12/03/402441203.db2.gz FTATZEDQIBTBJI-MAUKXSAKSA-N 2 1 315.461 2.364 10 0 DEAEMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C ZINC000177852682 402441206 /nfs/dbraw/zinc/44/12/06/402441206.db2.gz FTATZEDQIBTBJI-MAUKXSAKSA-N 2 1 315.461 2.364 10 0 DEAEMP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293463 402481202 /nfs/dbraw/zinc/48/12/02/402481202.db2.gz QPPOUEVLFHNFPO-INIZCTEOSA-N 2 1 306.454 2.305 10 0 DEAEMP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293463 402481203 /nfs/dbraw/zinc/48/12/03/402481203.db2.gz QPPOUEVLFHNFPO-INIZCTEOSA-N 2 1 306.454 2.305 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306550 402482560 /nfs/dbraw/zinc/48/25/60/402482560.db2.gz QXSBISPIFKXHFK-XJKSGUPXSA-N 2 1 304.438 2.103 10 0 DEAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306550 402482564 /nfs/dbraw/zinc/48/25/64/402482564.db2.gz QXSBISPIFKXHFK-XJKSGUPXSA-N 2 1 304.438 2.103 10 0 DEAEMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000245852679 402491070 /nfs/dbraw/zinc/49/10/70/402491070.db2.gz MVWKJANQQVDEEC-IRXDYDNUSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000245852679 402491074 /nfs/dbraw/zinc/49/10/74/402491074.db2.gz MVWKJANQQVDEEC-IRXDYDNUSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000245852679 402491078 /nfs/dbraw/zinc/49/10/78/402491078.db2.gz MVWKJANQQVDEEC-IRXDYDNUSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000245852679 402491081 /nfs/dbraw/zinc/49/10/81/402491081.db2.gz MVWKJANQQVDEEC-IRXDYDNUSA-N 2 1 303.450 2.280 10 0 DEAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246486359 402533370 /nfs/dbraw/zinc/53/33/70/402533370.db2.gz OYWZQCFURGNVJC-ALYAQQCSSA-N 2 1 307.482 2.144 10 0 DEAEMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000171479453 402589293 /nfs/dbraw/zinc/58/92/93/402589293.db2.gz MVWKJANQQVDEEC-IAGOWNOFSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000171479453 402589296 /nfs/dbraw/zinc/58/92/96/402589296.db2.gz MVWKJANQQVDEEC-IAGOWNOFSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000171479453 402589298 /nfs/dbraw/zinc/58/92/98/402589298.db2.gz MVWKJANQQVDEEC-IAGOWNOFSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000171479453 402589300 /nfs/dbraw/zinc/58/93/00/402589300.db2.gz MVWKJANQQVDEEC-IAGOWNOFSA-N 2 1 303.450 2.280 10 0 DEAEMP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000180169061 402608783 /nfs/dbraw/zinc/60/87/83/402608783.db2.gz XQQYFKKXCTWFTE-FUHWJXTLSA-N 2 1 301.434 2.032 10 0 DEAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1c2ccccc2NC1=O ZINC000180397572 402614785 /nfs/dbraw/zinc/61/47/85/402614785.db2.gz GOXWTUBDSJFYAK-GKLJAUDBSA-N 2 1 301.434 2.431 10 0 DEAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236471 402675029 /nfs/dbraw/zinc/67/50/29/402675029.db2.gz UNMCMFIAHYSOFQ-INIZCTEOSA-N 2 1 318.461 2.284 10 0 DEAEMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC000174352946 402737985 /nfs/dbraw/zinc/73/79/85/402737985.db2.gz IVLXOJRRMSWYCK-QGZVFWFLSA-N 2 1 324.513 2.375 10 0 DEAEMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516105 402849355 /nfs/dbraw/zinc/84/93/55/402849355.db2.gz IZNZTKDCPARKBS-DZGCQCFKSA-N 2 1 304.438 2.039 10 0 DEAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C2)[nH+]1 ZINC000195516158 402849661 /nfs/dbraw/zinc/84/96/61/402849661.db2.gz OKPHYCQVBYOKCX-JKSUJKDBSA-N 2 1 318.465 2.285 10 0 DEAEMP C(CC[NH+]1CCO[C@H](C2CC2)C1)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000368793083 403861388 /nfs/dbraw/zinc/86/13/88/403861388.db2.gz RUVBOJKTPNZLIZ-KDURUIRLSA-N 2 1 322.493 2.378 10 0 DEAEMP C(CC[NH+]1CCO[C@@H](C2CC2)C1)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000368793083 403861394 /nfs/dbraw/zinc/86/13/94/403861394.db2.gz RUVBOJKTPNZLIZ-KDURUIRLSA-N 2 1 322.493 2.378 10 0 DEAEMP C(CC[NH+]1CCO[C@@H](C2CC2)C1)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000368793083 403861399 /nfs/dbraw/zinc/86/13/99/403861399.db2.gz RUVBOJKTPNZLIZ-KDURUIRLSA-N 2 1 322.493 2.378 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390004746 405043375 /nfs/dbraw/zinc/04/33/75/405043375.db2.gz VVHFUMDZXPYKIS-KBAYOESNSA-N 2 1 315.461 2.013 10 0 DEAEMP COC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468028 405623586 /nfs/dbraw/zinc/62/35/86/405623586.db2.gz KUWHEGFBGXZEIT-RDGPPVDQSA-N 2 1 318.461 2.169 10 0 DEAEMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000638852066 405714682 /nfs/dbraw/zinc/71/46/82/405714682.db2.gz VDKUMFMEIHMWIZ-MSOLQXFVSA-N 2 1 315.461 2.157 10 0 DEAEMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000638852528 405715395 /nfs/dbraw/zinc/71/53/95/405715395.db2.gz YCJHKXMOWFHFET-QZTJIDSGSA-N 2 1 315.461 2.299 10 0 DEAEMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000635003090 406395250 /nfs/dbraw/zinc/39/52/50/406395250.db2.gz FTZNFNWKZVSGFV-JFRXWTBNSA-N 2 1 301.478 2.342 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000635003090 406395253 /nfs/dbraw/zinc/39/52/53/406395253.db2.gz FTZNFNWKZVSGFV-JFRXWTBNSA-N 3 1 301.478 2.342 10 0 DEAEMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000635003090 406395256 /nfs/dbraw/zinc/39/52/56/406395256.db2.gz FTZNFNWKZVSGFV-JFRXWTBNSA-N 3 1 301.478 2.342 10 0 DEAEMP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638074374 406555651 /nfs/dbraw/zinc/55/56/51/406555651.db2.gz MDCKXTXSQAHGOB-QZTJIDSGSA-N 2 1 313.445 2.157 10 0 DEAEMP [NH3+][C@H](CC[NH+]1CCC(OCCO)CC1)c1ccccc1Cl ZINC000129423077 196046957 /nfs/dbraw/zinc/04/69/57/196046957.db2.gz QLGZXPWZCFNGIC-MRXNPFEDSA-N 2 1 312.841 2.203 10 0 DEAEMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])c2cccs2)CC1 ZINC000130521858 196087632 /nfs/dbraw/zinc/08/76/32/196087632.db2.gz XPHOCTTVCSYYCG-OAHLLOKOSA-N 2 1 309.479 2.327 10 0 DEAEMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])c2cccs2)CC1 ZINC000130521858 196087635 /nfs/dbraw/zinc/08/76/35/196087635.db2.gz XPHOCTTVCSYYCG-OAHLLOKOSA-N 2 1 309.479 2.327 10 0 DEAEMP [NH3+]C1CC[NH+]([C@H]2CCN(c3nc4ccccc4s3)C2)CC1 ZINC000130847121 196115687 /nfs/dbraw/zinc/11/56/87/196115687.db2.gz LVGAWECRECICNN-ZDUSSCGKSA-N 2 1 302.447 2.298 10 0 DEAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390715916 424917873 /nfs/dbraw/zinc/91/78/73/424917873.db2.gz CLTGBNYEXIIQLW-OKZBNKHCSA-N 2 1 315.461 2.142 10 0 DEAEMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000653201995 425433644 /nfs/dbraw/zinc/43/36/44/425433644.db2.gz CYBVNEGOVQDBJR-LHHMISFZSA-N 2 1 315.461 2.106 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000247855786 276282247 /nfs/dbraw/zinc/28/22/47/276282247.db2.gz XZKPBOPYTUYKHC-ZACQAIPSSA-N 2 1 303.450 2.278 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000247478294 279281963 /nfs/dbraw/zinc/28/19/63/279281963.db2.gz IWETUZZISRCTLA-CVEARBPZSA-N 2 1 312.502 2.136 10 0 DEAEMP CCCCCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000157958112 520080852 /nfs/dbraw/zinc/08/08/52/520080852.db2.gz MKOHKXPUHADIPL-GOSISDBHSA-N 2 1 311.514 2.294 10 0 DEAEMP CCC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000156613838 520983485 /nfs/dbraw/zinc/98/34/85/520983485.db2.gz JCWCFFMQAVWUII-CGTJXYLNSA-N 2 1 317.477 2.353 10 0 DEAEMP CC(=O)c1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261819714 534926063 /nfs/dbraw/zinc/92/60/63/534926063.db2.gz APZOKKCLWTYMMI-XYPWUTKMSA-N 2 1 302.418 2.483 10 0 DEAEMP CC(=O)c1ccccc1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261819714 534926066 /nfs/dbraw/zinc/92/60/66/534926066.db2.gz APZOKKCLWTYMMI-XYPWUTKMSA-N 2 1 302.418 2.483 10 0 DEAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247125263 535874347 /nfs/dbraw/zinc/87/43/47/535874347.db2.gz RZPBPZAVXDACLB-VVLHAWIVSA-N 2 1 322.497 2.127 10 0 DEAEMP COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261846995 536780557 /nfs/dbraw/zinc/78/05/57/536780557.db2.gz AYAWHGIKZUMYJD-KZNAEPCWSA-N 2 1 304.434 2.080 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000309698838 625511465 /nfs/dbraw/zinc/51/14/65/625511465.db2.gz FJCCPGQRGSZRMR-AEFFLSMTSA-N 2 1 301.478 2.438 10 0 DEAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000309698838 625511475 /nfs/dbraw/zinc/51/14/75/625511475.db2.gz FJCCPGQRGSZRMR-AEFFLSMTSA-N 2 1 301.478 2.438 10 0 DEAEMP C[C@]1(CNC[C@H](O)C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000309915284 625242710 /nfs/dbraw/zinc/24/27/10/625242710.db2.gz UDBYRXCSULZACK-LSDHHAIUSA-N 2 1 316.367 2.411 10 0 DEAEMP C[C@]1(C[NH2+]C[C@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000309915284 625242719 /nfs/dbraw/zinc/24/27/19/625242719.db2.gz UDBYRXCSULZACK-LSDHHAIUSA-N 2 1 316.367 2.411 10 0 DEAEMP OCC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716623244 792980650 /nfs/dbraw/zinc/98/06/50/792980650.db2.gz ZBUJPMXVOVESPY-HJTRDACESA-N 2 1 300.446 2.400 10 0 DEAEMP C[C@H](C[S@@](C)=O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680050 792984218 /nfs/dbraw/zinc/98/42/18/792984218.db2.gz PYORPDLQIJGXHL-GBGLDMQLSA-N 2 1 320.502 2.396 10 0 DEAEMP CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(N)=O ZINC000716731223 793004070 /nfs/dbraw/zinc/00/40/70/793004070.db2.gz ANUFSWWYGVLOPA-ULQDDVLXSA-N 2 1 315.461 2.141 10 0 DEAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC[NH2+]CC1CC1 ZINC000717142498 799234574 /nfs/dbraw/zinc/23/45/74/799234574.db2.gz IJPZNPPROGCKCD-HNNXBMFYSA-N 2 1 303.450 2.013 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000721928587 1084485672 /nfs/dbraw/zinc/48/56/72/1084485672.db2.gz GQABCYYEOIOUHQ-CZUORRHYSA-N 2 1 323.481 2.458 10 0 DEAEMP C[NH2+]CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000719728382 1092527730 /nfs/dbraw/zinc/52/77/30/1092527730.db2.gz NYEYEAINLLEISU-UHFFFAOYSA-N 2 1 317.477 2.499 10 0 DEAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCN(c2nc(C(C)C)ns2)CC1 ZINC000087639635 185229925 /nfs/dbraw/zinc/22/99/25/185229925.db2.gz YPNYXFZZHNMZQC-ZDUSSCGKSA-N 2 1 311.499 2.301 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1C[NH2+]C ZINC000092633211 185330663 /nfs/dbraw/zinc/33/06/63/185330663.db2.gz DFGJESJKXKHLAX-LBPRGKRZSA-N 2 1 307.467 2.036 10 0 DEAEMP C[NH2+][C@H](C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(F)c(F)c1F ZINC000149554652 186051078 /nfs/dbraw/zinc/05/10/78/186051078.db2.gz LIIFYOHZVFKSHB-ZWNOBZJWSA-N 2 1 301.356 2.000 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309678306 539878151 /nfs/dbraw/zinc/87/81/51/539878151.db2.gz YCLTYAZGPMXEEM-RBUKOAKNSA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309678306 539878152 /nfs/dbraw/zinc/87/81/52/539878152.db2.gz YCLTYAZGPMXEEM-RBUKOAKNSA-N 2 1 319.493 2.242 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309678305 539878249 /nfs/dbraw/zinc/87/82/49/539878249.db2.gz YCLTYAZGPMXEEM-OALUTQOASA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309678305 539878251 /nfs/dbraw/zinc/87/82/51/539878251.db2.gz YCLTYAZGPMXEEM-OALUTQOASA-N 2 1 319.493 2.242 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382727583 540123515 /nfs/dbraw/zinc/12/35/15/540123515.db2.gz WCJZPFPPVDQKOQ-SJLPKXTDSA-N 2 1 317.477 2.483 10 0 DEAEMP c1ncn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000578625782 356847086 /nfs/dbraw/zinc/84/70/86/356847086.db2.gz LYTHNSGJMSNMCN-KRWDZBQOSA-N 2 1 311.433 2.065 10 0 DEAEMP c1ncn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000578625782 356847090 /nfs/dbraw/zinc/84/70/90/356847090.db2.gz LYTHNSGJMSNMCN-KRWDZBQOSA-N 2 1 311.433 2.065 10 0 DEAEMP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000262297141 203253992 /nfs/dbraw/zinc/25/39/92/203253992.db2.gz JIBCGCKFPRPJEM-PBHICJAKSA-N 2 1 307.438 2.440 10 0 DEAEMP CCOC(=O)[C@]1([NH3+])CCC[C@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596064 193270907 /nfs/dbraw/zinc/27/09/07/193270907.db2.gz VMZJFWRMDLBBBD-AAEUAGOBSA-N 2 1 310.360 2.321 10 0 DEAEMP CCC[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](CC)[C@@H](C)COC ZINC000093617278 193275827 /nfs/dbraw/zinc/27/58/27/193275827.db2.gz QUNBGNQPGOONEB-ULQDDVLXSA-N 2 1 300.487 2.264 10 0 DEAEMP CC[NH2+][C@]1(CO)CCC[C@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093783418 193307918 /nfs/dbraw/zinc/30/79/18/193307918.db2.gz WARFXYYHWFUUQR-DLBZAZTESA-N 2 1 300.487 2.407 10 0 DEAEMP CC[NH2+]Cc1nc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cs1 ZINC000094443696 193369567 /nfs/dbraw/zinc/36/95/67/193369567.db2.gz PQGRKPDQERIYDG-DZGCQCFKSA-N 2 1 308.495 2.311 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1[nH+]c(NN)ccc1Cl ZINC000094442287 193370140 /nfs/dbraw/zinc/37/01/40/193370140.db2.gz ODDMGVUXESDOKZ-VXGBXAGGSA-N 2 1 309.845 2.079 10 0 DEAEMP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333878 245077730 /nfs/dbraw/zinc/07/77/30/245077730.db2.gz WPDHMXLTVURXCH-KBAYOESNSA-N 2 1 315.461 2.107 10 0 DEAEMP CCN1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333878 245077742 /nfs/dbraw/zinc/07/77/42/245077742.db2.gz WPDHMXLTVURXCH-KBAYOESNSA-N 2 1 315.461 2.107 10 0 DEAEMP CCOCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000157477112 197190124 /nfs/dbraw/zinc/19/01/24/197190124.db2.gz PMVBPTFDXDGPFT-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCOCC[N@@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000157477112 197190126 /nfs/dbraw/zinc/19/01/26/197190126.db2.gz PMVBPTFDXDGPFT-MRXNPFEDSA-N 2 1 302.459 2.055 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CCOCC)C(=O)OCC ZINC000157484197 197191151 /nfs/dbraw/zinc/19/11/51/197191151.db2.gz PWPAMXIMIAUTDZ-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCOCC)C(=O)OCC ZINC000157484197 197191153 /nfs/dbraw/zinc/19/11/53/197191153.db2.gz PWPAMXIMIAUTDZ-MRXNPFEDSA-N 2 1 302.459 2.056 10 0 DEAEMP Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000156700166 197133817 /nfs/dbraw/zinc/13/38/17/197133817.db2.gz FNAHBZVNCFSOMT-CYBMUJFWSA-N 2 1 304.463 2.007 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245908801 285229816 /nfs/dbraw/zinc/22/98/16/285229816.db2.gz IOGDMYSUGLURDD-IAGOWNOFSA-N 2 1 322.497 2.131 10 0 DEAEMP Cc1cnccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000120661629 195210500 /nfs/dbraw/zinc/21/05/00/195210500.db2.gz JHGDVDHUVDSSGG-CQSZACIVSA-N 2 1 318.421 2.107 10 0 DEAEMP Cc1cnccc1NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000120661629 195210502 /nfs/dbraw/zinc/21/05/02/195210502.db2.gz JHGDVDHUVDSSGG-CQSZACIVSA-N 2 1 318.421 2.107 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC1 ZINC000545176108 285393168 /nfs/dbraw/zinc/39/31/68/285393168.db2.gz FHWYVHGTZCJRQM-UHFFFAOYSA-N 2 1 322.497 2.154 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000545176108 285393172 /nfs/dbraw/zinc/39/31/72/285393172.db2.gz FHWYVHGTZCJRQM-UHFFFAOYSA-N 2 1 322.497 2.154 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000545176108 285393175 /nfs/dbraw/zinc/39/31/75/285393175.db2.gz FHWYVHGTZCJRQM-UHFFFAOYSA-N 2 1 322.497 2.154 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246712333 145111608 /nfs/dbraw/zinc/11/16/08/145111608.db2.gz LENQDXGXWFWPKO-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246712333 145111609 /nfs/dbraw/zinc/11/16/09/145111609.db2.gz LENQDXGXWFWPKO-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246712333 145111610 /nfs/dbraw/zinc/11/16/10/145111610.db2.gz LENQDXGXWFWPKO-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246712333 145111611 /nfs/dbraw/zinc/11/16/11/145111611.db2.gz LENQDXGXWFWPKO-RCCFBDPRSA-N 2 1 320.477 2.458 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000247350927 145134703 /nfs/dbraw/zinc/13/47/03/145134703.db2.gz NZXZYPPQLIKIKQ-WMLDXEAASA-N 2 1 303.450 2.207 10 0 DEAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247385006 145135278 /nfs/dbraw/zinc/13/52/78/145135278.db2.gz FWYUCAGXQGRQKQ-HMQMGEFJSA-N 2 1 322.497 2.175 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247385006 145135279 /nfs/dbraw/zinc/13/52/79/145135279.db2.gz FWYUCAGXQGRQKQ-HMQMGEFJSA-N 2 1 322.497 2.175 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247385006 145135281 /nfs/dbraw/zinc/13/52/81/145135281.db2.gz FWYUCAGXQGRQKQ-HMQMGEFJSA-N 2 1 322.497 2.175 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCOCC2 ZINC000248998774 145175281 /nfs/dbraw/zinc/17/52/81/145175281.db2.gz PVBVGPOHFRUYPJ-LDBYLJPUSA-N 2 1 308.466 2.175 10 0 DEAEMP c1cnc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261850013 145233110 /nfs/dbraw/zinc/23/31/10/145233110.db2.gz BEHIABKIEGJSRS-KZNAEPCWSA-N 2 1 311.429 2.482 10 0 DEAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000261994022 145251495 /nfs/dbraw/zinc/25/14/95/145251495.db2.gz TUXDRXFBKUQVOM-WCXIOVBPSA-N 2 1 324.852 2.120 10 0 DEAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262041474 145256021 /nfs/dbraw/zinc/25/60/21/145256021.db2.gz BYHLWYRMMOBOMR-PVAVHDDUSA-N 2 1 301.434 2.162 10 0 DEAEMP CC(C)[N@H+]1CCc2nc(CN3CC[C@@]4(CC[NH2+]C4)C3)sc2C1 ZINC000262043209 145256249 /nfs/dbraw/zinc/25/62/49/145256249.db2.gz PJFVVQJARIMYEE-QGZVFWFLSA-N 2 1 320.506 2.095 10 0 DEAEMP Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262053995 145257418 /nfs/dbraw/zinc/25/74/18/145257418.db2.gz ZZBFAIRURDYGCT-BBWFWOEESA-N 2 1 310.388 2.254 10 0 DEAEMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262053797 145257921 /nfs/dbraw/zinc/25/79/21/145257921.db2.gz QMKPNRFOEJVLHA-GOSISDBHSA-N 3 1 302.466 2.229 10 0 DEAEMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262260392 145272361 /nfs/dbraw/zinc/27/23/61/145272361.db2.gz UIGJJPGYJBBTAY-UHFFFAOYSA-N 2 1 323.440 2.412 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)C2 ZINC000375264357 148349408 /nfs/dbraw/zinc/34/94/08/148349408.db2.gz YUBIGSIMESJPDJ-KBPBESRZSA-N 2 1 318.465 2.191 10 0 DEAEMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C2 ZINC000375264357 148349410 /nfs/dbraw/zinc/34/94/10/148349410.db2.gz YUBIGSIMESJPDJ-KBPBESRZSA-N 2 1 318.465 2.191 10 0 DEAEMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786036 401907492 /nfs/dbraw/zinc/90/74/92/401907492.db2.gz BKSBFWFGHYNFFV-KRWDZBQOSA-N 2 1 307.482 2.336 10 0 DEAEMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786034 401907569 /nfs/dbraw/zinc/90/75/69/401907569.db2.gz BKSBFWFGHYNFFV-QGZVFWFLSA-N 2 1 307.482 2.336 10 0 DEAEMP CC[C@@]1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCC[NH2+]1 ZINC000134606637 401908652 /nfs/dbraw/zinc/90/86/52/401908652.db2.gz IBPINTREOXOZFX-SFHVURJKSA-N 2 1 316.449 2.007 10 0 DEAEMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCCCn1ccnc1C ZINC000119574781 401959236 /nfs/dbraw/zinc/95/92/36/401959236.db2.gz LWSPUDVNDWKHJD-INIZCTEOSA-N 2 1 306.454 2.305 10 0 DEAEMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000119574781 401959240 /nfs/dbraw/zinc/95/92/40/401959240.db2.gz LWSPUDVNDWKHJD-INIZCTEOSA-N 2 1 306.454 2.305 10 0 DEAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054764276 402070969 /nfs/dbraw/zinc/07/09/69/402070969.db2.gz DLTNOPBYMZISAU-INIZCTEOSA-N 2 1 320.481 2.148 10 0 DEAEMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123247408 402117583 /nfs/dbraw/zinc/11/75/83/402117583.db2.gz WTHDMKDBVVRVSN-VQHPVUNQSA-N 2 1 309.498 2.438 10 0 DEAEMP COc1ccc(C)cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123423604 402127120 /nfs/dbraw/zinc/12/71/20/402127120.db2.gz BRLJHNIURDKWOB-HUUCEWRRSA-N 2 1 319.449 2.357 10 0 DEAEMP C[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000153183997 402131424 /nfs/dbraw/zinc/13/14/24/402131424.db2.gz MSAYLTYGPLSKAJ-HOTGVXAUSA-N 2 1 303.793 2.407 10 0 DEAEMP C[N@H+]1CCO[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000153183997 402131425 /nfs/dbraw/zinc/13/14/25/402131425.db2.gz MSAYLTYGPLSKAJ-HOTGVXAUSA-N 2 1 303.793 2.407 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000124114482 402164130 /nfs/dbraw/zinc/16/41/30/402164130.db2.gz UMFBKHNMZYDPEX-GJZGRUSLSA-N 2 1 321.469 2.001 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000124114482 402164133 /nfs/dbraw/zinc/16/41/33/402164133.db2.gz UMFBKHNMZYDPEX-GJZGRUSLSA-N 2 1 321.469 2.001 10 0 DEAEMP CC1CC[NH+](CCN2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000153822850 402172331 /nfs/dbraw/zinc/17/23/31/402172331.db2.gz IGDHLGOZEUJSFU-UHFFFAOYSA-N 2 1 304.482 2.407 10 0 DEAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000106918104 402222298 /nfs/dbraw/zinc/22/22/98/402222298.db2.gz OIQASKUUHWZUNN-GOSISDBHSA-N 2 1 317.477 2.150 10 0 DEAEMP CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000154878211 402237311 /nfs/dbraw/zinc/23/73/11/402237311.db2.gz CRTALKUFTSYMPK-NVXWUHKLSA-N 2 1 305.466 2.353 10 0 DEAEMP CCC[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+](C)C ZINC000161727858 402397099 /nfs/dbraw/zinc/39/70/99/402397099.db2.gz JCEYSLQSVVRHDF-QGZVFWFLSA-N 2 1 305.466 2.485 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC000245943876 402499483 /nfs/dbraw/zinc/49/94/83/402499483.db2.gz NCRLMXZQAWQAQO-PBHICJAKSA-N 2 1 318.465 2.493 10 0 DEAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1CCCCC1 ZINC000245943876 402499486 /nfs/dbraw/zinc/49/94/86/402499486.db2.gz NCRLMXZQAWQAQO-PBHICJAKSA-N 2 1 318.465 2.493 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246021832 402504371 /nfs/dbraw/zinc/50/43/71/402504371.db2.gz OTJRRYAHTMCVDH-IXDOHACOSA-N 2 1 324.513 2.090 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246910629 402548959 /nfs/dbraw/zinc/54/89/59/402548959.db2.gz XZJWFTVZDBBDJU-GVDBMIGSSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246910629 402548961 /nfs/dbraw/zinc/54/89/61/402548961.db2.gz XZJWFTVZDBBDJU-GVDBMIGSSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246910629 402548962 /nfs/dbraw/zinc/54/89/62/402548962.db2.gz XZJWFTVZDBBDJU-GVDBMIGSSA-N 2 1 324.513 2.135 10 0 DEAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000247461859 402567565 /nfs/dbraw/zinc/56/75/65/402567565.db2.gz ULKQZLLFJGDDQD-DZGCQCFKSA-N 2 1 324.513 2.324 10 0 DEAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246427775 402530873 /nfs/dbraw/zinc/53/08/73/402530873.db2.gz MKVKCFXQPBVZSZ-ULQDDVLXSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2CC)[C@@H](C)C1 ZINC000246427775 402530877 /nfs/dbraw/zinc/53/08/77/402530877.db2.gz MKVKCFXQPBVZSZ-ULQDDVLXSA-N 2 1 324.513 2.233 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2CC)[C@@H](C)C1 ZINC000246427775 402530879 /nfs/dbraw/zinc/53/08/79/402530879.db2.gz MKVKCFXQPBVZSZ-ULQDDVLXSA-N 2 1 324.513 2.233 10 0 DEAEMP [NH3+]C1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000178726805 402531572 /nfs/dbraw/zinc/53/15/72/402531572.db2.gz QCMCLYIAADAKQN-KRWDZBQOSA-N 2 1 315.461 2.429 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249752657 402640603 /nfs/dbraw/zinc/64/06/03/402640603.db2.gz DXJABOYYWHRAAD-SJORKVTESA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249752657 402640604 /nfs/dbraw/zinc/64/06/04/402640604.db2.gz DXJABOYYWHRAAD-SJORKVTESA-N 2 1 324.513 2.425 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249752657 402640606 /nfs/dbraw/zinc/64/06/06/402640606.db2.gz DXJABOYYWHRAAD-SJORKVTESA-N 2 1 324.513 2.425 10 0 DEAEMP Cc1ncsc1CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000172536658 402661799 /nfs/dbraw/zinc/66/17/99/402661799.db2.gz SSDYGFARMISXKF-INIZCTEOSA-N 2 1 322.522 2.096 10 0 DEAEMP Cc1ncsc1CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000172536658 402661800 /nfs/dbraw/zinc/66/18/00/402661800.db2.gz SSDYGFARMISXKF-INIZCTEOSA-N 2 1 322.522 2.096 10 0 DEAEMP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173533240 402701992 /nfs/dbraw/zinc/70/19/92/402701992.db2.gz ZSKYIBXCPBFJDN-SJORKVTESA-N 2 1 324.513 2.233 10 0 DEAEMP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173533227 402702195 /nfs/dbraw/zinc/70/21/95/402702195.db2.gz ZSKYIBXCPBFJDN-IAGOWNOFSA-N 2 1 324.513 2.233 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000194601936 402804999 /nfs/dbraw/zinc/80/49/99/402804999.db2.gz DMKVAYBVJBXACH-KRWDZBQOSA-N 2 1 301.434 2.059 10 0 DEAEMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000194601936 402805000 /nfs/dbraw/zinc/80/50/00/402805000.db2.gz DMKVAYBVJBXACH-KRWDZBQOSA-N 2 1 301.434 2.059 10 0 DEAEMP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000301354844 403619593 /nfs/dbraw/zinc/61/95/93/403619593.db2.gz UMXFZDFUAMNQFQ-UHFFFAOYSA-N 2 1 323.440 2.146 10 0 DEAEMP CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309702695 403962190 /nfs/dbraw/zinc/96/21/90/403962190.db2.gz GTJVSIVCGPOZQT-QZTJIDSGSA-N 2 1 315.461 2.109 10 0 DEAEMP CC(C)([NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850867 405713735 /nfs/dbraw/zinc/71/37/35/405713735.db2.gz HVSNNQSAGSYCLS-MRXNPFEDSA-N 2 1 303.450 2.285 10 0 DEAEMP Brc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCCO2 ZINC000423302147 405752018 /nfs/dbraw/zinc/75/20/18/405752018.db2.gz IYYKEIKLYAGWQQ-ZDUSSCGKSA-N 2 1 311.223 2.472 10 0 DEAEMP C[C@@]1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650006 406207422 /nfs/dbraw/zinc/20/74/22/406207422.db2.gz ZBMUOWLEHVPJFT-HOTGVXAUSA-N 2 1 310.388 2.258 10 0 DEAEMP C[C@@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634650006 406207434 /nfs/dbraw/zinc/20/74/34/406207434.db2.gz ZBMUOWLEHVPJFT-HOTGVXAUSA-N 2 1 310.388 2.258 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000634724424 406248821 /nfs/dbraw/zinc/24/88/21/406248821.db2.gz PWNLPJFHWBCGLF-SNPRPXQTSA-N 2 1 316.367 2.267 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000634724424 406248823 /nfs/dbraw/zinc/24/88/23/406248823.db2.gz PWNLPJFHWBCGLF-SNPRPXQTSA-N 2 1 316.367 2.267 10 0 DEAEMP CC(C)N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637874967 406458034 /nfs/dbraw/zinc/45/80/34/406458034.db2.gz RAJJJSSBBWLQKG-UHFFFAOYSA-N 2 1 303.450 2.237 10 0 DEAEMP CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638074372 406555658 /nfs/dbraw/zinc/55/56/58/406555658.db2.gz MDCKXTXSQAHGOB-MSOLQXFVSA-N 2 1 313.445 2.157 10 0 DEAEMP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638079419 406558805 /nfs/dbraw/zinc/55/88/05/406558805.db2.gz DFZLIRBFPMSLQC-WMZOPIPTSA-N 2 1 313.445 2.062 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638286258 406672122 /nfs/dbraw/zinc/67/21/22/406672122.db2.gz OQTXERCMCJDUEL-INIZCTEOSA-N 2 1 315.461 2.109 10 0 DEAEMP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccs1 ZINC000130525077 196087624 /nfs/dbraw/zinc/08/76/24/196087624.db2.gz ZRJGRQLISHNGSD-OAHLLOKOSA-N 2 1 307.463 2.225 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000263254763 287272117 /nfs/dbraw/zinc/27/21/17/287272117.db2.gz KRQDCTOVAMCZGP-TWMKSMIVSA-N 2 1 307.482 2.227 10 0 DEAEMP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262033324 287302479 /nfs/dbraw/zinc/30/24/79/287302479.db2.gz XTRJHJUDELURTL-ILOCAZANSA-N 2 1 310.482 2.328 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000398025341 269107958 /nfs/dbraw/zinc/10/79/58/269107958.db2.gz LSOILXROHBVISU-NZSAHSFTSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000398025341 269107960 /nfs/dbraw/zinc/10/79/60/269107960.db2.gz LSOILXROHBVISU-NZSAHSFTSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000398025341 269107961 /nfs/dbraw/zinc/10/79/61/269107961.db2.gz LSOILXROHBVISU-NZSAHSFTSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000398025341 269107963 /nfs/dbraw/zinc/10/79/63/269107963.db2.gz LSOILXROHBVISU-NZSAHSFTSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000398047018 269108517 /nfs/dbraw/zinc/10/85/17/269108517.db2.gz WDVTYVKTVFONIN-ZAWLATJESA-N 2 1 301.478 2.485 10 0 DEAEMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000398047018 269108518 /nfs/dbraw/zinc/10/85/18/269108518.db2.gz WDVTYVKTVFONIN-ZAWLATJESA-N 2 1 301.478 2.485 10 0 DEAEMP CO[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182140793 274055249 /nfs/dbraw/zinc/05/52/49/274055249.db2.gz BAHSGLPXPZUSRG-LPHOPBHVSA-N 2 1 320.477 2.399 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236927491 276285637 /nfs/dbraw/zinc/28/56/37/276285637.db2.gz AFFXPNUJFXILTI-SOUVJXGZSA-N 2 1 309.841 2.329 10 0 DEAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236927491 276285638 /nfs/dbraw/zinc/28/56/38/276285638.db2.gz AFFXPNUJFXILTI-SOUVJXGZSA-N 2 1 309.841 2.329 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248863887 276339103 /nfs/dbraw/zinc/33/91/03/276339103.db2.gz FSLOFASWHBOEAE-BZUAXINKSA-N 2 1 312.502 2.136 10 0 DEAEMP CC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494472 277097402 /nfs/dbraw/zinc/09/74/02/277097402.db2.gz MAQOLAFSNRQDSE-QAPCUYQASA-N 2 1 310.482 2.303 10 0 DEAEMP C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246303365 289261946 /nfs/dbraw/zinc/26/19/46/289261946.db2.gz WVTHAMUXIRQZSP-OWCLPIDISA-N 2 1 307.482 2.335 10 0 DEAEMP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000246166590 297027331 /nfs/dbraw/zinc/02/73/31/297027331.db2.gz BWJHEYZRPOCLNR-KZNAEPCWSA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000246166590 297027333 /nfs/dbraw/zinc/02/73/33/297027333.db2.gz BWJHEYZRPOCLNR-KZNAEPCWSA-N 2 1 309.498 2.046 10 0 DEAEMP C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH2+]C1 ZINC000237595095 526235490 /nfs/dbraw/zinc/23/54/90/526235490.db2.gz WWBYJEGWQLXUCW-DQIHPLBOSA-N 2 1 307.482 2.144 10 0 DEAEMP CNC(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358037839 536490112 /nfs/dbraw/zinc/49/01/12/536490112.db2.gz NVFAJNLJMZCJAY-AYHJJNSGSA-N 2 1 315.461 2.298 10 0 DEAEMP CN(C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000246552355 535971190 /nfs/dbraw/zinc/97/11/90/535971190.db2.gz KLIJMYHNBWZTLD-SJLPKXTDSA-N 2 1 315.461 2.456 10 0 DEAEMP CN(C(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000246552355 535971200 /nfs/dbraw/zinc/97/12/00/535971200.db2.gz KLIJMYHNBWZTLD-SJLPKXTDSA-N 2 1 315.461 2.456 10 0 DEAEMP CN(C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000246552355 535971205 /nfs/dbraw/zinc/97/12/05/535971205.db2.gz KLIJMYHNBWZTLD-SJLPKXTDSA-N 2 1 315.461 2.456 10 0 DEAEMP CN(C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000246552355 535971210 /nfs/dbraw/zinc/97/12/10/535971210.db2.gz KLIJMYHNBWZTLD-SJLPKXTDSA-N 2 1 315.461 2.456 10 0 DEAEMP C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362482280 536352248 /nfs/dbraw/zinc/35/22/48/536352248.db2.gz BAQFTBZAZQRJLE-UHFFFAOYSA-N 2 1 309.498 2.489 10 0 DEAEMP Cn1nccc1CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310468955 625454824 /nfs/dbraw/zinc/45/48/24/625454824.db2.gz ARFWGJYPUJSRBH-YZGWKJHDSA-N 2 1 324.472 2.463 10 0 DEAEMP CNC(=O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309736661 625544988 /nfs/dbraw/zinc/54/49/88/625544988.db2.gz UQGFYZNNCZMCSQ-FGTMMUONSA-N 2 1 315.461 2.013 10 0 DEAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097177 635539947 /nfs/dbraw/zinc/53/99/47/635539947.db2.gz DDOKMLFWCSBJKV-ZJPYXAASSA-N 2 1 321.440 2.180 10 0 DEAEMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H](C)Cc1ccoc1)C2 ZINC000888098733 635545434 /nfs/dbraw/zinc/54/54/34/635545434.db2.gz LYLSHRRPEYZAMD-FGTAOJJYSA-N 2 1 306.450 2.280 10 0 DEAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261560372 635900277 /nfs/dbraw/zinc/90/02/77/635900277.db2.gz ZUGAVJCSOVIWDT-PVAVHDDUSA-N 2 1 303.450 2.141 10 0 DEAEMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230393590 646728081 /nfs/dbraw/zinc/72/80/81/646728081.db2.gz NATYCHAJDLJMGS-BZUAXINKSA-N 2 1 323.481 2.460 10 0 DEAEMP COC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677593 792984103 /nfs/dbraw/zinc/98/41/03/792984103.db2.gz GPPNEXQFSVDBHP-CADBVGFASA-N 2 1 318.461 2.027 10 0 DEAEMP COC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677597 792984178 /nfs/dbraw/zinc/98/41/78/792984178.db2.gz GPPNEXQFSVDBHP-RDGPPVDQSA-N 2 1 318.461 2.027 10 0 DEAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730985 793002767 /nfs/dbraw/zinc/00/27/67/793002767.db2.gz ISZBEAOAQIDOOZ-OWLYRPNTSA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)N(C)C ZINC000716730985 793002776 /nfs/dbraw/zinc/00/27/76/793002776.db2.gz ISZBEAOAQIDOOZ-OWLYRPNTSA-N 2 1 315.461 2.106 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000709521445 1086682973 /nfs/dbraw/zinc/68/29/73/1086682973.db2.gz MELRNTSSYHAFKV-WDYCEAGBSA-N 2 1 315.461 2.013 10 0 DEAEMP C[N@@H+](CCC(=O)Nc1cccc(C[NH3+])c1)CCC(F)(F)F ZINC000088417500 185249316 /nfs/dbraw/zinc/24/93/16/185249316.db2.gz ABTZRUZYSGQYNV-UHFFFAOYSA-N 2 1 303.328 2.358 10 0 DEAEMP C[N@H+](Cc1cc(Br)cs1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606858 185306342 /nfs/dbraw/zinc/30/63/42/185306342.db2.gz USPSFWMTQXKCIR-NWDGAFQWSA-N 2 1 319.268 2.306 10 0 DEAEMP C[N@@H+](Cc1cc(Br)cs1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606858 185306343 /nfs/dbraw/zinc/30/63/43/185306343.db2.gz USPSFWMTQXKCIR-NWDGAFQWSA-N 2 1 319.268 2.306 10 0 DEAEMP C[N@H+](Cc1cc(Br)cs1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606857 185306409 /nfs/dbraw/zinc/30/64/09/185306409.db2.gz USPSFWMTQXKCIR-RYUDHWBXSA-N 2 1 319.268 2.306 10 0 DEAEMP C[N@@H+](Cc1cc(Br)cs1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606857 185306410 /nfs/dbraw/zinc/30/64/10/185306410.db2.gz USPSFWMTQXKCIR-RYUDHWBXSA-N 2 1 319.268 2.306 10 0 DEAEMP CC[NH2+][C@@H]1COC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000148336122 186044263 /nfs/dbraw/zinc/04/42/63/186044263.db2.gz YHGXEZNZPBUEIB-GXSJLCMTSA-N 2 1 319.268 2.225 10 0 DEAEMP C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@@H]1C[N@@H+](C)CCN1C ZINC000149590708 186051771 /nfs/dbraw/zinc/05/17/71/186051771.db2.gz MWSFJHPSLYDMAG-QWHCGFSZSA-N 2 1 313.848 2.246 10 0 DEAEMP CC[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@H]1C[N@@H+](C)CCN1C ZINC000149665770 186051842 /nfs/dbraw/zinc/05/18/42/186051842.db2.gz INYTWMWVZRNVNV-IRXDYDNUSA-N 2 1 309.885 2.497 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000152424550 186071410 /nfs/dbraw/zinc/07/14/10/186071410.db2.gz VNORNFOBPLDNMZ-QGZVFWFLSA-N 2 1 324.513 2.279 10 0 DEAEMP [NH3+]CCCOC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000163958791 186143434 /nfs/dbraw/zinc/14/34/34/186143434.db2.gz CQALSWYTPQLCNV-UHFFFAOYSA-N 2 1 314.227 2.178 10 0 DEAEMP C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755764 539879156 /nfs/dbraw/zinc/87/91/56/539879156.db2.gz WZJJYDHLQQEHKH-HKUYNNGSSA-N 2 1 315.461 2.157 10 0 DEAEMP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382730906 540123927 /nfs/dbraw/zinc/12/39/27/540123927.db2.gz BANYIKHONHKCKN-FUHWJXTLSA-N 2 1 317.477 2.483 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000398065383 540140591 /nfs/dbraw/zinc/14/05/91/540140591.db2.gz HLLNVASRKYBADY-GDBMZVCRSA-N 2 1 301.434 2.037 10 0 DEAEMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000161646420 355970237 /nfs/dbraw/zinc/97/02/37/355970237.db2.gz JHNAQVZCFBDTDT-UHFFFAOYSA-N 2 1 322.497 2.132 10 0 DEAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000263283823 356344621 /nfs/dbraw/zinc/34/46/21/356344621.db2.gz SZHZDJJEMNNOQC-RFSXOUPVSA-N 2 1 321.509 2.390 10 0 DEAEMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449086483 240032895 /nfs/dbraw/zinc/03/28/95/240032895.db2.gz BQNHLBSYVZRCNV-OAHLLOKOSA-N 2 1 314.433 2.312 10 0 DEAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449086483 240032905 /nfs/dbraw/zinc/03/29/05/240032905.db2.gz BQNHLBSYVZRCNV-OAHLLOKOSA-N 2 1 314.433 2.312 10 0 DEAEMP CCC[NH2+][C@@H](CCCS(=O)(=O)CC)CC[NH+](CC)CC ZINC000091716724 193097462 /nfs/dbraw/zinc/09/74/62/193097462.db2.gz ITSQJQNATSGKBS-HNNXBMFYSA-N 2 1 306.516 2.301 10 0 DEAEMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc2c1OCCO2 ZINC000092253539 193180508 /nfs/dbraw/zinc/18/05/08/193180508.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 2 1 320.433 2.240 10 0 DEAEMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc2c1OCCO2 ZINC000092253539 193180510 /nfs/dbraw/zinc/18/05/10/193180510.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 2 1 320.433 2.240 10 0 DEAEMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc2c1OCCO2 ZINC000092253539 193180511 /nfs/dbraw/zinc/18/05/11/193180511.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 2 1 320.433 2.240 10 0 DEAEMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc2c1OCCO2 ZINC000092253539 193180513 /nfs/dbraw/zinc/18/05/13/193180513.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 2 1 320.433 2.240 10 0 DEAEMP c1cc(OCCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc2c1OCO2 ZINC000631886513 368441998 /nfs/dbraw/zinc/44/19/98/368441998.db2.gz IGUBFAAKIQMPJT-ZBFHGGJFSA-N 2 1 318.417 2.258 10 0 DEAEMP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000093486723 193258861 /nfs/dbraw/zinc/25/88/61/193258861.db2.gz GSWZTTCSWHZHSP-HIFRSBDPSA-N 2 1 310.463 2.100 10 0 DEAEMP CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756565 193301439 /nfs/dbraw/zinc/30/14/39/193301439.db2.gz ZCPFTDRQKJWWGV-DGCLKSJQSA-N 2 1 309.376 2.037 10 0 DEAEMP CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756565 193301440 /nfs/dbraw/zinc/30/14/40/193301440.db2.gz ZCPFTDRQKJWWGV-DGCLKSJQSA-N 2 1 309.376 2.037 10 0 DEAEMP C[N@H+](CCCCCNC(=O)c1ccncc1)C1CC[NH+](C)CC1 ZINC000041569057 183204696 /nfs/dbraw/zinc/20/46/96/183204696.db2.gz PTHSRBDHAWZELN-UHFFFAOYSA-N 2 1 318.465 2.008 10 0 DEAEMP C[N@@H+](CCCCCNC(=O)c1ccncc1)C1CC[NH+](C)CC1 ZINC000041569057 183204699 /nfs/dbraw/zinc/20/46/99/183204699.db2.gz PTHSRBDHAWZELN-UHFFFAOYSA-N 2 1 318.465 2.008 10 0 DEAEMP C[N@@H+](CCCCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915635 194168279 /nfs/dbraw/zinc/16/82/79/194168279.db2.gz BCNIIWMVONWFJQ-IBGZPJMESA-N 2 1 320.477 2.136 10 0 DEAEMP CC[NH2+]C(C)(C)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000061295238 184167585 /nfs/dbraw/zinc/16/75/85/184167585.db2.gz PQLIAIZISNTDCV-UHFFFAOYSA-N 2 1 309.479 2.171 10 0 DEAEMP CC[NH2+]C(C)(C)C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000061295238 184167587 /nfs/dbraw/zinc/16/75/87/184167587.db2.gz PQLIAIZISNTDCV-UHFFFAOYSA-N 2 1 309.479 2.171 10 0 DEAEMP CCC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](C)CCOC(C)C ZINC000157769264 197213515 /nfs/dbraw/zinc/21/35/15/197213515.db2.gz HWCFVOJTNIZMEU-IAGOWNOFSA-N 2 1 300.487 2.264 10 0 DEAEMP CC(C)C[NH2+]C[C@@]1(C[N@H+](C)CCOC(C)C)CCCOC1 ZINC000157587168 197199658 /nfs/dbraw/zinc/19/96/58/197199658.db2.gz YAWURIGEEUPWGF-QGZVFWFLSA-N 2 1 300.487 2.386 10 0 DEAEMP CC(C)C[NH2+]C[C@@]1(C[N@@H+](C)CCOC(C)C)CCCOC1 ZINC000157587168 197199659 /nfs/dbraw/zinc/19/96/59/197199659.db2.gz YAWURIGEEUPWGF-QGZVFWFLSA-N 2 1 300.487 2.386 10 0 DEAEMP NC1=[NH+]C[C@@]2(CC[N@H+]3CCC[C@@H]3C2)N1c1cccc(Cl)c1 ZINC000157243905 197172745 /nfs/dbraw/zinc/17/27/45/197172745.db2.gz QTBOYEUXVWBOOH-ZBFHGGJFSA-N 2 1 304.825 2.472 10 0 DEAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C)c1C(N)=S ZINC000156698184 197133692 /nfs/dbraw/zinc/13/36/92/197133692.db2.gz TVHUGUBIQHEDCQ-ZDUSSCGKSA-N 2 1 306.479 2.253 10 0 DEAEMP CN(CCC[NH+](C)C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000542727543 285245905 /nfs/dbraw/zinc/24/59/05/285245905.db2.gz VDGXDRFPMXEXIT-UHFFFAOYSA-N 2 1 320.481 2.102 10 0 DEAEMP C[N@H+]1CC[C@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC000248091355 257109356 /nfs/dbraw/zinc/10/93/56/257109356.db2.gz VQIFAGNKWSMTDW-PKOBYXMFSA-N 2 1 315.461 2.262 10 0 DEAEMP C[NH+]1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC000248091355 257109358 /nfs/dbraw/zinc/10/93/58/257109358.db2.gz VQIFAGNKWSMTDW-PKOBYXMFSA-N 2 1 315.461 2.262 10 0 DEAEMP C[NH+]1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC000248091355 257109360 /nfs/dbraw/zinc/10/93/60/257109360.db2.gz VQIFAGNKWSMTDW-PKOBYXMFSA-N 2 1 315.461 2.262 10 0 DEAEMP c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113829 /nfs/dbraw/zinc/11/38/29/257113829.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113830 /nfs/dbraw/zinc/11/38/30/257113830.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113832 /nfs/dbraw/zinc/11/38/32/257113832.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 2 1 301.434 2.014 10 0 DEAEMP c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113834 /nfs/dbraw/zinc/11/38/34/257113834.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115101 /nfs/dbraw/zinc/11/51/01/257115101.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115103 /nfs/dbraw/zinc/11/51/03/257115103.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115104 /nfs/dbraw/zinc/11/51/04/257115104.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 2 1 301.434 2.014 10 0 DEAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115105 /nfs/dbraw/zinc/11/51/05/257115105.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 2 1 301.434 2.014 10 0 DEAEMP COC(=O)[C@H](C)C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368585911 133279387 /nfs/dbraw/zinc/27/93/87/133279387.db2.gz UYVSGMCMXDWTEQ-NXHRZFHOSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368585911 133279388 /nfs/dbraw/zinc/27/93/88/133279388.db2.gz UYVSGMCMXDWTEQ-NXHRZFHOSA-N 2 1 316.445 2.249 10 0 DEAEMP COC(=O)[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368585911 133279389 /nfs/dbraw/zinc/27/93/89/133279389.db2.gz UYVSGMCMXDWTEQ-NXHRZFHOSA-N 2 1 316.445 2.249 10 0 DEAEMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247318342 145133557 /nfs/dbraw/zinc/13/35/57/145133557.db2.gz SBLJJZQPXMPCOL-CABCVRRESA-N 2 1 318.465 2.122 10 0 DEAEMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247318342 145133558 /nfs/dbraw/zinc/13/35/58/145133558.db2.gz SBLJJZQPXMPCOL-CABCVRRESA-N 2 1 318.465 2.122 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248759947 145167029 /nfs/dbraw/zinc/16/70/29/145167029.db2.gz YAJXNHXTJXCUFB-FUHWJXTLSA-N 2 1 324.428 2.323 10 0 DEAEMP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248759947 145167031 /nfs/dbraw/zinc/16/70/31/145167031.db2.gz YAJXNHXTJXCUFB-FUHWJXTLSA-N 2 1 324.428 2.323 10 0 DEAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C12CCOCC2 ZINC000248911820 145173742 /nfs/dbraw/zinc/17/37/42/145173742.db2.gz CGDHDSJRLWFMGH-HYVNUMGLSA-N 2 1 308.466 2.035 10 0 DEAEMP C[C@@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000248997012 145175135 /nfs/dbraw/zinc/17/51/35/145175135.db2.gz PFMNHYJJMXRGQQ-VUCRHFMTSA-N 3 1 309.498 2.091 10 0 DEAEMP C[C@@H]1C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000248997012 145175136 /nfs/dbraw/zinc/17/51/36/145175136.db2.gz PFMNHYJJMXRGQQ-VUCRHFMTSA-N 2 1 309.498 2.091 10 0 DEAEMP CCC[N@H+](CC(=O)N(CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000261549261 145207032 /nfs/dbraw/zinc/20/70/32/145207032.db2.gz OKZAVFCGEQWZSJ-UHFFFAOYSA-N 2 1 317.477 2.499 10 0 DEAEMP CCC[N@@H+](CC(=O)N(CC)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000261549261 145207034 /nfs/dbraw/zinc/20/70/34/145207034.db2.gz OKZAVFCGEQWZSJ-UHFFFAOYSA-N 2 1 317.477 2.499 10 0 DEAEMP Cn1c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2sc1=O ZINC000261792208 145226887 /nfs/dbraw/zinc/22/68/87/145226887.db2.gz GGCLDKUQLYQMMR-GFCCVEGCSA-N 2 1 305.447 2.161 10 0 DEAEMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854659 145233599 /nfs/dbraw/zinc/23/35/99/145233599.db2.gz DZWCZLUAAOKALW-XJKSGUPXSA-N 2 1 307.413 2.206 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(F)cc1 ZINC000261854659 145233600 /nfs/dbraw/zinc/23/36/00/145233600.db2.gz DZWCZLUAAOKALW-XJKSGUPXSA-N 2 1 307.413 2.206 10 0 DEAEMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1 ZINC000261900517 145239359 /nfs/dbraw/zinc/23/93/59/145239359.db2.gz HQGMWSFMLBLAHE-SPUZQDLCSA-N 2 1 304.434 2.201 10 0 DEAEMP CCOCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261934808 145244068 /nfs/dbraw/zinc/24/40/68/145244068.db2.gz MCWXZRAIUZWSQI-QRVBRYPASA-N 2 1 318.461 2.470 10 0 DEAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261964872 145247955 /nfs/dbraw/zinc/24/79/55/145247955.db2.gz YHVGVMMTOJZVFQ-GUDXXQAFSA-N 2 1 319.424 2.062 10 0 DEAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000261964872 145247957 /nfs/dbraw/zinc/24/79/57/145247957.db2.gz YHVGVMMTOJZVFQ-GUDXXQAFSA-N 2 1 319.424 2.062 10 0 DEAEMP CCN(C(=O)[C@H](C)C[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262469072 145285837 /nfs/dbraw/zinc/28/58/37/145285837.db2.gz YBAGAEXSJXBNSQ-INMHGKMJSA-N 2 1 303.450 2.265 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(F)cc1 ZINC000371292496 148083573 /nfs/dbraw/zinc/08/35/73/148083573.db2.gz CISHFHSAFBMPJP-BPQIPLTHSA-N 2 1 322.424 2.388 10 0 DEAEMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(F)cc1 ZINC000371292496 148083574 /nfs/dbraw/zinc/08/35/74/148083574.db2.gz CISHFHSAFBMPJP-BPQIPLTHSA-N 2 1 322.424 2.388 10 0 DEAEMP CC[NH+](CC)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073437453 401718026 /nfs/dbraw/zinc/71/80/26/401718026.db2.gz AUVPHLQPGLFPIU-MQVJKMGUSA-N 2 1 310.486 2.033 10 0 DEAEMP CCOc1ccc2ccccc2c1C[NH2+]CCC[NH2+]CCO ZINC000013733049 401803812 /nfs/dbraw/zinc/80/38/12/401803812.db2.gz IULMQGRUYXWWOK-UHFFFAOYSA-N 2 1 302.418 2.300 10 0 DEAEMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000128307341 401771327 /nfs/dbraw/zinc/77/13/27/401771327.db2.gz DEOIXQBACOXTDU-OAGGEKHMSA-N 2 1 312.502 2.088 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000034532556 401892960 /nfs/dbraw/zinc/89/29/60/401892960.db2.gz YGBZVBILLZITTB-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000034532556 401892962 /nfs/dbraw/zinc/89/29/62/401892962.db2.gz YGBZVBILLZITTB-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000034532556 401892964 /nfs/dbraw/zinc/89/29/64/401892964.db2.gz YGBZVBILLZITTB-ROUUACIJSA-N 2 1 315.461 2.252 10 0 DEAEMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000118984399 401917103 /nfs/dbraw/zinc/91/71/03/401917103.db2.gz WTBLDRYKKWFOOD-GOSISDBHSA-N 2 1 306.450 2.027 10 0 DEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NCC2CCCCC2)CCN1C ZINC000123131674 402111902 /nfs/dbraw/zinc/11/19/02/402111902.db2.gz VJKLPTMTDWCODA-RDJZCZTQSA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)CC[N@@H+]1C ZINC000123131674 402111904 /nfs/dbraw/zinc/11/19/04/402111904.db2.gz VJKLPTMTDWCODA-RDJZCZTQSA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)CC[N@H+]1C ZINC000123131674 402111908 /nfs/dbraw/zinc/11/19/08/402111908.db2.gz VJKLPTMTDWCODA-RDJZCZTQSA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NCC2CCCCC2)CC[NH+]1C ZINC000123131674 402111912 /nfs/dbraw/zinc/11/19/12/402111912.db2.gz VJKLPTMTDWCODA-RDJZCZTQSA-N 2 1 309.498 2.488 10 0 DEAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NCC2CCCCC2)CC[NH+]1C ZINC000123131674 402111916 /nfs/dbraw/zinc/11/19/16/402111916.db2.gz VJKLPTMTDWCODA-RDJZCZTQSA-N 2 1 309.498 2.488 10 0 DEAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC(C)(C)[NH3+])cc1 ZINC000178845732 402546124 /nfs/dbraw/zinc/54/61/24/402546124.db2.gz XNGRPWFWBKPIAJ-LBPRGKRZSA-N 2 1 300.406 2.485 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246383603 402528118 /nfs/dbraw/zinc/52/81/18/402528118.db2.gz IMGFBEGYCBZNKL-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246383603 402528120 /nfs/dbraw/zinc/52/81/20/402528120.db2.gz IMGFBEGYCBZNKL-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246383603 402528121 /nfs/dbraw/zinc/52/81/21/402528121.db2.gz IMGFBEGYCBZNKL-ZACQAIPSSA-N 2 1 324.513 2.090 10 0 DEAEMP C[C@@H]1C[C@@H](Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000179743400 402599594 /nfs/dbraw/zinc/59/95/94/402599594.db2.gz ULZVKVHXZCHWBT-CABCVRRESA-N 2 1 318.465 2.449 10 0 DEAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249811221 402642441 /nfs/dbraw/zinc/64/24/41/402642441.db2.gz YVMNIDIUDCOISR-DLBZAZTESA-N 2 1 318.465 2.073 10 0 DEAEMP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173669343 402707410 /nfs/dbraw/zinc/70/74/10/402707410.db2.gz UFCPMOALFPLLQL-WBVHZDCISA-N 2 1 324.513 2.231 10 0 DEAEMP c1nc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814012 402717698 /nfs/dbraw/zinc/71/76/98/402717698.db2.gz PZKSCXJVZZNGEA-HOTGVXAUSA-N 2 1 302.466 2.398 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174195305 402731376 /nfs/dbraw/zinc/73/13/76/402731376.db2.gz PCZCJBJUAGXXIH-MRXNPFEDSA-N 2 1 312.502 2.279 10 0 DEAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCc2ccc(F)cc2)[C@H](C)C1 ZINC000174775537 402756760 /nfs/dbraw/zinc/75/67/60/402756760.db2.gz DXKSLLPEGUZQFI-PBHICJAKSA-N 2 1 321.440 2.104 10 0 DEAEMP COc1cc(-c2ccccc2)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263316711 402757876 /nfs/dbraw/zinc/75/78/76/402757876.db2.gz ZNKTUJMSGLCSBM-QZTJIDSGSA-N 2 1 312.413 2.032 10 0 DEAEMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000195222460 402837716 /nfs/dbraw/zinc/83/77/16/402837716.db2.gz BVQGOTBTTWJRLD-KRWDZBQOSA-N 2 1 316.449 2.450 10 0 DEAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000194128969 402785091 /nfs/dbraw/zinc/78/50/91/402785091.db2.gz YVMNIDIUDCOISR-SJORKVTESA-N 2 1 318.465 2.073 10 0 DEAEMP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516264 402849876 /nfs/dbraw/zinc/84/98/76/402849876.db2.gz HXCOHXJBWUNSLI-JKSUJKDBSA-N 2 1 318.465 2.381 10 0 DEAEMP COCC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361487899 405096206 /nfs/dbraw/zinc/09/62/06/405096206.db2.gz WRBQLEHPHMZJDR-WDSOQIARSA-N 2 1 320.477 2.274 10 0 DEAEMP CC(C)[C@H]1CN(C(=O)CC[C@@H](C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000638511856 405518315 /nfs/dbraw/zinc/51/83/15/405518315.db2.gz CCAVIWHVOOYSPG-SJLPKXTDSA-N 2 1 317.477 2.483 10 0 DEAEMP COC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468025 405624704 /nfs/dbraw/zinc/62/47/04/405624704.db2.gz KUWHEGFBGXZEIT-AKHDSKFASA-N 2 1 318.461 2.169 10 0 DEAEMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851384 405713872 /nfs/dbraw/zinc/71/38/72/405713872.db2.gz JLNGLXKSNNERJZ-NVXWUHKLSA-N 2 1 303.450 2.285 10 0 DEAEMP c1cnn(C2CC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)c1 ZINC000638864013 405726808 /nfs/dbraw/zinc/72/68/08/405726808.db2.gz GFQIEFALFNOMMX-UHFFFAOYSA-N 2 1 318.465 2.211 10 0 DEAEMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918412 406454684 /nfs/dbraw/zinc/45/46/84/406454684.db2.gz IBRIRFVNDXTUMY-WDSOQIARSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918412 406454689 /nfs/dbraw/zinc/45/46/89/406454689.db2.gz IBRIRFVNDXTUMY-WDSOQIARSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570918412 406454696 /nfs/dbraw/zinc/45/46/96/406454696.db2.gz IBRIRFVNDXTUMY-WDSOQIARSA-N 3 1 301.478 2.486 10 0 DEAEMP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)[C@H](C)C1 ZINC000553329399 406750667 /nfs/dbraw/zinc/75/06/67/406750667.db2.gz HERAPKWRKANTGY-ZIAGYGMSSA-N 2 1 318.465 2.191 10 0 DEAEMP CCOCC[N@H+]1CCN(CC[NH+]2CCC(C)CC2)C[C@@H]1CC ZINC000153805745 424860111 /nfs/dbraw/zinc/86/01/11/424860111.db2.gz HGOPHEMOSAJZFC-SFHVURJKSA-N 2 1 311.514 2.151 10 0 DEAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390700833 424917812 /nfs/dbraw/zinc/91/78/12/424917812.db2.gz CQFPQIJDQFJXOE-ROUUACIJSA-N 2 1 317.477 2.388 10 0 DEAEMP C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000407360408 424932174 /nfs/dbraw/zinc/93/21/74/424932174.db2.gz HEJSZZPGMDHDAC-FHLIZLRMSA-N 2 1 315.461 2.154 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453400394 274355126 /nfs/dbraw/zinc/35/51/26/274355126.db2.gz MAESMQUNGPNMOH-AYBZRNKSSA-N 2 1 315.461 2.155 10 0 DEAEMP C(COC1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261874487 275394223 /nfs/dbraw/zinc/39/42/23/275394223.db2.gz DLQYXNDNVYVYCG-RCCFBDPRSA-N 2 1 310.482 2.473 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635658 276021079 /nfs/dbraw/zinc/02/10/79/276021079.db2.gz RQFIIIDGELAAAR-ZFWWWQNUSA-N 2 1 323.506 2.341 10 0 DEAEMP CCC[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000135635658 276021080 /nfs/dbraw/zinc/02/10/80/276021080.db2.gz RQFIIIDGELAAAR-ZFWWWQNUSA-N 2 1 323.506 2.341 10 0 DEAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000176170887 279297678 /nfs/dbraw/zinc/29/76/78/279297678.db2.gz RJNFQNYCGPTUPV-QGZVFWFLSA-N 2 1 324.513 2.234 10 0 DEAEMP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000249055371 279398251 /nfs/dbraw/zinc/39/82/51/279398251.db2.gz IRXXCVFNXHFXFP-JKSUJKDBSA-N 2 1 318.527 2.254 10 0 DEAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000249055371 279398252 /nfs/dbraw/zinc/39/82/52/279398252.db2.gz IRXXCVFNXHFXFP-JKSUJKDBSA-N 2 1 318.527 2.254 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000249055371 279398253 /nfs/dbraw/zinc/39/82/53/279398253.db2.gz IRXXCVFNXHFXFP-JKSUJKDBSA-N 2 1 318.527 2.254 10 0 DEAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCS(=O)(=O)CC)[C@@H](C)C1 ZINC000249055371 279398254 /nfs/dbraw/zinc/39/82/54/279398254.db2.gz IRXXCVFNXHFXFP-JKSUJKDBSA-N 2 1 318.527 2.254 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000105922556 522590222 /nfs/dbraw/zinc/59/02/22/522590222.db2.gz LXZJKEWXTPJHAU-JKSUJKDBSA-N 2 1 318.465 2.483 10 0 DEAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000105922556 522590232 /nfs/dbraw/zinc/59/02/32/522590232.db2.gz LXZJKEWXTPJHAU-JKSUJKDBSA-N 2 1 318.465 2.483 10 0 DEAEMP C[C@@H]([NH3+])[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249098073 525014919 /nfs/dbraw/zinc/01/49/19/525014919.db2.gz UIIOSEYSKQWTLX-RLHTVVPMSA-N 2 1 315.461 2.282 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cccc(F)c2)CC1 ZINC000105862591 525789312 /nfs/dbraw/zinc/78/93/12/525789312.db2.gz QTLUCBXUPQXICY-OAHLLOKOSA-N 2 1 324.440 2.229 10 0 DEAEMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261826628 534903182 /nfs/dbraw/zinc/90/31/82/534903182.db2.gz YPGNHJGISQAJDH-HNNXBMFYSA-N 2 1 305.397 2.284 10 0 DEAEMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261826628 534903187 /nfs/dbraw/zinc/90/31/87/534903187.db2.gz YPGNHJGISQAJDH-HNNXBMFYSA-N 2 1 305.397 2.284 10 0 DEAEMP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248199889 536102288 /nfs/dbraw/zinc/10/22/88/536102288.db2.gz YHOKNHWBTXSGGK-QZTJIDSGSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248199889 536102291 /nfs/dbraw/zinc/10/22/91/536102291.db2.gz YHOKNHWBTXSGGK-QZTJIDSGSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248199889 536102296 /nfs/dbraw/zinc/10/22/96/536102296.db2.gz YHOKNHWBTXSGGK-QZTJIDSGSA-N 2 1 315.461 2.305 10 0 DEAEMP CN(C)C(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248199889 536102301 /nfs/dbraw/zinc/10/23/01/536102301.db2.gz YHOKNHWBTXSGGK-QZTJIDSGSA-N 2 1 315.461 2.305 10 0 DEAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190533931 536359016 /nfs/dbraw/zinc/35/90/16/536359016.db2.gz NOZUPHJRWQJGSW-OALUTQOASA-N 2 1 323.525 2.030 10 0 DEAEMP C[C@@]1(CNC[C@@H](O)C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000309915281 625243586 /nfs/dbraw/zinc/24/35/86/625243586.db2.gz UDBYRXCSULZACK-CABCVRRESA-N 2 1 316.367 2.411 10 0 DEAEMP C[C@@]1(C[NH2+]C[C@@H](O)C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000309915281 625243593 /nfs/dbraw/zinc/24/35/93/625243593.db2.gz UDBYRXCSULZACK-CABCVRRESA-N 2 1 316.367 2.411 10 0 DEAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097174 635539332 /nfs/dbraw/zinc/53/93/32/635539332.db2.gz DDOKMLFWCSBJKV-BDXSIMOUSA-N 2 1 321.440 2.180 10 0 DEAEMP C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000742242131 638054042 /nfs/dbraw/zinc/05/40/42/638054042.db2.gz SGTJWOOEGSWXIV-MRXNPFEDSA-N 2 1 315.461 2.497 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000380925001 685399608 /nfs/dbraw/zinc/39/96/08/685399608.db2.gz BRDXILJRZSSCRR-RTBURBONSA-N 3 1 319.493 2.242 10 0 DEAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000380925001 685399611 /nfs/dbraw/zinc/39/96/11/685399611.db2.gz BRDXILJRZSSCRR-RTBURBONSA-N 2 1 319.493 2.242 10 0 DEAEMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000713002853 792212275 /nfs/dbraw/zinc/21/22/75/792212275.db2.gz JAFFRARIHGMYSX-KRWDZBQOSA-N 2 1 317.477 2.340 10 0 DEAEMP CO[C@@](C)(CO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634425 792982959 /nfs/dbraw/zinc/98/29/59/792982959.db2.gz AVZVBDJXJYSYGJ-ZSYWTGECSA-N 2 1 318.461 2.027 10 0 DEAEMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000721944800 1085025359 /nfs/dbraw/zinc/02/53/59/1085025359.db2.gz UMTBYCFGXDIAMS-FXUDXRNXSA-N 2 1 323.481 2.458 10 0 DEAEMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000700746303 1086333629 /nfs/dbraw/zinc/33/36/29/1086333629.db2.gz FEEAMUWUEYIDJU-DZGCQCFKSA-N 2 1 311.470 2.458 10 0 DEAEMP C[N@H+]1CCC[C@@H](C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000701868891 1086388386 /nfs/dbraw/zinc/38/83/86/1086388386.db2.gz VEODQVHSJIBCCG-SYJJWHGVSA-N 2 1 323.481 2.317 10 0 DEAEMP CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000711250972 1087036009 /nfs/dbraw/zinc/03/60/09/1087036009.db2.gz OSNPMDRUGFTVEL-IRXDYDNUSA-N 2 1 315.461 2.013 10 0 DEAEMP C[N@@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)CCC(F)(F)F ZINC000088437566 185250372 /nfs/dbraw/zinc/25/03/72/185250372.db2.gz AYYTZGDEEVEXPW-UHFFFAOYSA-N 2 1 307.364 2.050 10 0 DEAEMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180039515 539643004 /nfs/dbraw/zinc/64/30/04/539643004.db2.gz CKHDKMYKSRMLKW-UHFFFAOYSA-N 2 1 306.454 2.047 10 0 DEAEMP C[NH2+][C@H](C[C@H]1C[N@@H+](C)CCN1C)c1cc(Cl)ccc1OC ZINC000149595471 186051965 /nfs/dbraw/zinc/05/19/65/186051965.db2.gz YFIUIWAFSIIQHH-DZGCQCFKSA-N 2 1 311.857 2.245 10 0 DEAEMP Cc1nc(C[C@H]2C[N@@H+](C)CCN2C)sc1C[NH2+]C(C)(C)C ZINC000149812448 186053197 /nfs/dbraw/zinc/05/31/97/186053197.db2.gz DSHTWZFPOAEBJM-ZDUSSCGKSA-N 2 1 310.511 2.128 10 0 DEAEMP Cc1nc(C[C@H]2C[N@H+](C)CCN2C)sc1C[NH2+]C(C)(C)C ZINC000149812448 186053199 /nfs/dbraw/zinc/05/31/99/186053199.db2.gz DSHTWZFPOAEBJM-ZDUSSCGKSA-N 2 1 310.511 2.128 10 0 DEAEMP Cc1nc(C[C@H]2CN(C)CC[N@@H+]2C)sc1C[NH2+]C(C)(C)C ZINC000149812448 186053201 /nfs/dbraw/zinc/05/32/01/186053201.db2.gz DSHTWZFPOAEBJM-ZDUSSCGKSA-N 2 1 310.511 2.128 10 0 DEAEMP Cc1nc(C[C@H]2CN(C)CC[N@H+]2C)sc1C[NH2+]C(C)(C)C ZINC000149812448 186053202 /nfs/dbraw/zinc/05/32/02/186053202.db2.gz DSHTWZFPOAEBJM-ZDUSSCGKSA-N 2 1 310.511 2.128 10 0 DEAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000152419267 186070714 /nfs/dbraw/zinc/07/07/14/186070714.db2.gz YSJAVPPKEXXTBQ-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000152419267 186070716 /nfs/dbraw/zinc/07/07/16/186070716.db2.gz YSJAVPPKEXXTBQ-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000152419267 186070717 /nfs/dbraw/zinc/07/07/17/186070717.db2.gz YSJAVPPKEXXTBQ-BBWFWOEESA-N 2 1 324.513 2.088 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000164344316 186157098 /nfs/dbraw/zinc/15/70/98/186157098.db2.gz UVTJQCGMZZNADD-AWEZNQCLSA-N 2 1 311.832 2.477 10 0 DEAEMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000164344316 186157102 /nfs/dbraw/zinc/15/71/02/186157102.db2.gz UVTJQCGMZZNADD-AWEZNQCLSA-N 2 1 311.832 2.477 10 0 DEAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1=[NH+]CCCN1 ZINC000066243184 354705744 /nfs/dbraw/zinc/70/57/44/354705744.db2.gz JKDDCESFGSKROM-OAHLLOKOSA-N 2 1 300.450 2.500 10 0 DEAEMP C[C@@H]([NH3+])c1csc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000080807824 192192786 /nfs/dbraw/zinc/19/27/86/192192786.db2.gz SNFFHNLWFSNUJJ-CYBMUJFWSA-N 2 1 302.447 2.485 10 0 DEAEMP Cn1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1=O ZINC000590819428 357620293 /nfs/dbraw/zinc/62/02/93/357620293.db2.gz CTSSXJPLMNAIGZ-GOSISDBHSA-N 2 1 317.477 2.473 10 0 DEAEMP Cn1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1=O ZINC000590819428 357620297 /nfs/dbraw/zinc/62/02/97/357620297.db2.gz CTSSXJPLMNAIGZ-GOSISDBHSA-N 2 1 317.477 2.473 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2F)CC1 ZINC000179517830 199049172 /nfs/dbraw/zinc/04/91/72/199049172.db2.gz VAHWNKDXSAXMHR-CYBMUJFWSA-N 2 1 312.404 2.489 10 0 DEAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2F)CC1 ZINC000179517830 199049173 /nfs/dbraw/zinc/04/91/73/199049173.db2.gz VAHWNKDXSAXMHR-CYBMUJFWSA-N 2 1 312.404 2.489 10 0 DEAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591552 239033482 /nfs/dbraw/zinc/03/34/82/239033482.db2.gz DLKKCEAQOGXGGN-PKOBYXMFSA-N 3 1 319.493 2.065 10 0 DEAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447591552 239033495 /nfs/dbraw/zinc/03/34/95/239033495.db2.gz DLKKCEAQOGXGGN-PKOBYXMFSA-N 3 1 319.493 2.065 10 0 DEAEMP C[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000091313776 193038279 /nfs/dbraw/zinc/03/82/79/193038279.db2.gz 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2.473 10 0 DEAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000347705174 132782779 /nfs/dbraw/zinc/78/27/79/132782779.db2.gz QGGNJSJGANBYDL-GOSISDBHSA-N 2 1 304.434 2.035 10 0 DEAEMP c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564803585 292111770 /nfs/dbraw/zinc/11/17/70/292111770.db2.gz KGJPRVOUIBQCSX-DLBZAZTESA-N 2 1 304.459 2.039 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246773067 145113530 /nfs/dbraw/zinc/11/35/30/145113530.db2.gz OGJJTCQYKDHRKX-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1 ZINC000246773067 145113531 /nfs/dbraw/zinc/11/35/31/145113531.db2.gz OGJJTCQYKDHRKX-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 ZINC000246773067 145113533 /nfs/dbraw/zinc/11/35/33/145113533.db2.gz OGJJTCQYKDHRKX-OKZBNKHCSA-N 2 1 320.477 2.458 10 0 DEAEMP Cc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1 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145140519 /nfs/dbraw/zinc/14/05/19/145140519.db2.gz ZEZASMBXGIIOLP-HZPDHXFCSA-N 2 1 312.502 2.133 10 0 DEAEMP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249869256 145190893 /nfs/dbraw/zinc/19/08/93/145190893.db2.gz IZNZTKDCPARKBS-ZFWWWQNUSA-N 2 1 304.438 2.039 10 0 DEAEMP C1C[C@@H]([C@@H]2COCC[NH2+]2)[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000261941060 145244776 /nfs/dbraw/zinc/24/47/76/145244776.db2.gz MVLJIHTXXMZCKR-SQNIBIBYSA-N 2 1 322.493 2.473 10 0 DEAEMP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261981262 145249336 /nfs/dbraw/zinc/24/93/36/145249336.db2.gz RQWJBBCTFBDCGL-ORQFMDKSSA-N 2 1 302.418 2.257 10 0 DEAEMP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000262086780 145260613 /nfs/dbraw/zinc/26/06/13/145260613.db2.gz ULOVINYMXBVUDK-CRAIPNDOSA-N 2 1 316.449 2.040 10 0 DEAEMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)nc1 ZINC000262146690 145265957 /nfs/dbraw/zinc/26/59/57/145265957.db2.gz 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ZINC000262047153 402721832 /nfs/dbraw/zinc/72/18/32/402721832.db2.gz PWPRGBNVZHMIMI-GOSISDBHSA-N 2 1 306.450 2.151 10 0 DEAEMP COCCOCC[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000262047153 402721833 /nfs/dbraw/zinc/72/18/33/402721833.db2.gz PWPRGBNVZHMIMI-GOSISDBHSA-N 2 1 306.450 2.151 10 0 DEAEMP Fc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261961538 402720642 /nfs/dbraw/zinc/72/06/42/402720642.db2.gz PPKQLHPPTDAADW-YYQUZTFQSA-N 2 1 320.408 2.396 10 0 DEAEMP Cc1cc(F)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261964482 402720889 /nfs/dbraw/zinc/72/08/89/402720889.db2.gz PYEPHYSXRXCDEE-RCCFBDPRSA-N 2 1 306.425 2.423 10 0 DEAEMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192499100 402732970 /nfs/dbraw/zinc/73/29/70/402732970.db2.gz LKLLYGWZEAJXQB-AWEZNQCLSA-N 2 1 319.474 2.422 10 0 DEAEMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000175106270 402779529 /nfs/dbraw/zinc/77/95/29/402779529.db2.gz PBHJAFANJMCARD-PBHICJAKSA-N 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404676088 /nfs/dbraw/zinc/67/60/88/404676088.db2.gz SDZOUARQJGJIQI-YOEHRIQHSA-N 2 1 321.490 2.341 10 0 DEAEMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C=O)CC2)[C@H]1c1cccs1 ZINC000365495675 404676095 /nfs/dbraw/zinc/67/60/95/404676095.db2.gz SDZOUARQJGJIQI-YOEHRIQHSA-N 2 1 321.490 2.341 10 0 DEAEMP CC1=CC[NH+](CCNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358191396 404755673 /nfs/dbraw/zinc/75/56/73/404755673.db2.gz PBOVBVVHYKYFBL-IAGOWNOFSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@H+](CCNC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)CC1 ZINC000358191396 404755677 /nfs/dbraw/zinc/75/56/77/404755677.db2.gz PBOVBVVHYKYFBL-IAGOWNOFSA-N 2 1 322.497 2.058 10 0 DEAEMP CC1=CC[N@@H+](CCNC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)CC1 ZINC000358191396 404755680 /nfs/dbraw/zinc/75/56/80/404755680.db2.gz PBOVBVVHYKYFBL-IAGOWNOFSA-N 2 1 322.497 2.058 10 0 DEAEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361220381 404980386 /nfs/dbraw/zinc/98/03/86/404980386.db2.gz LOOSWHZJXRSKIY-QGZVFWFLSA-N 2 1 307.482 2.384 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000634724423 406249119 /nfs/dbraw/zinc/24/91/19/406249119.db2.gz PWNLPJFHWBCGLF-BPLDGKMQSA-N 2 1 316.367 2.267 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000634724423 406249121 /nfs/dbraw/zinc/24/91/21/406249121.db2.gz PWNLPJFHWBCGLF-BPLDGKMQSA-N 2 1 316.367 2.267 10 0 DEAEMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003089 406395317 /nfs/dbraw/zinc/39/53/17/406395317.db2.gz FTZNFNWKZVSGFV-FPAYPSAMSA-N 2 1 301.478 2.342 10 0 DEAEMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003089 406395325 /nfs/dbraw/zinc/39/53/25/406395325.db2.gz FTZNFNWKZVSGFV-FPAYPSAMSA-N 3 1 301.478 2.342 10 0 DEAEMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000635003089 406395329 /nfs/dbraw/zinc/39/53/29/406395329.db2.gz FTZNFNWKZVSGFV-FPAYPSAMSA-N 3 1 301.478 2.342 10 0 DEAEMP CC(C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637872672 406456898 /nfs/dbraw/zinc/45/68/98/406456898.db2.gz QZDKSLMSRRAMRT-UHFFFAOYSA-N 2 1 303.450 2.142 10 0 DEAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638111668 406574959 /nfs/dbraw/zinc/57/49/59/406574959.db2.gz PENDMGSAMUNQHE-FUHWJXTLSA-N 2 1 313.445 2.014 10 0 DEAEMP CC[NH2+][C@H](CCCS(=O)(=O)CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000129316883 196039037 /nfs/dbraw/zinc/03/90/37/196039037.db2.gz UCECBOMGCNKDSE-WTXIUTQJSA-N 2 1 316.511 2.052 10 0 DEAEMP C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000382769466 424910295 /nfs/dbraw/zinc/91/02/95/424910295.db2.gz ZQBKDVDNDUBQQC-VQIMIIECSA-N 2 1 315.461 2.252 10 0 DEAEMP CN(C(=O)C1(C[NH3+])CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390798866 424917411 /nfs/dbraw/zinc/91/74/11/424917411.db2.gz MMFOGPGJUIRHAF-KRWDZBQOSA-N 2 1 315.461 2.238 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000398025339 269108081 /nfs/dbraw/zinc/10/80/81/269108081.db2.gz LSOILXROHBVISU-NEWSRXKRSA-N 2 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000398025339 269108083 /nfs/dbraw/zinc/10/80/83/269108083.db2.gz LSOILXROHBVISU-NEWSRXKRSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000398025339 269108084 /nfs/dbraw/zinc/10/80/84/269108084.db2.gz LSOILXROHBVISU-NEWSRXKRSA-N 3 1 301.478 2.486 10 0 DEAEMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000398025339 269108086 /nfs/dbraw/zinc/10/80/86/269108086.db2.gz LSOILXROHBVISU-NEWSRXKRSA-N 2 1 301.478 2.486 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398073570 269108327 /nfs/dbraw/zinc/10/83/27/269108327.db2.gz DZQYHLYNMGHBCL-NZSAHSFTSA-N 3 1 319.493 2.241 10 0 DEAEMP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398073570 269108329 /nfs/dbraw/zinc/10/83/29/269108329.db2.gz DZQYHLYNMGHBCL-NZSAHSFTSA-N 3 1 319.493 2.241 10 0 DEAEMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261960085 275690491 /nfs/dbraw/zinc/69/04/91/275690491.db2.gz PKSXQWFAJUUMHZ-DZVNLGKHSA-N 2 1 310.482 2.184 10 0 DEAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000495039343 276308407 /nfs/dbraw/zinc/30/84/07/276308407.db2.gz CHOKSFRFXLQYFU-INIZCTEOSA-N 2 1 303.450 2.285 10 0 DEAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245951847 279264098 /nfs/dbraw/zinc/26/40/98/279264098.db2.gz ZNZZSZNTLDZSLX-IAGOWNOFSA-N 2 1 307.482 2.338 10 0 DEAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000173889235 281189424 /nfs/dbraw/zinc/18/94/24/281189424.db2.gz KBRMEWVKZDRGOZ-DLBZAZTESA-N 2 1 322.497 2.131 10 0 DEAEMP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576823700 326321971 /nfs/dbraw/zinc/32/19/71/326321971.db2.gz WWEAUROOLPGZRJ-VNHYZAJKSA-N 2 1 307.463 2.426 10 0 DEAEMP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388498866 333316951 /nfs/dbraw/zinc/31/69/51/333316951.db2.gz NMZZKNZJWHAGJY-MJGOQNOKSA-N 2 1 315.461 2.252 10 0 DEAEMP C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000398014383 337303985 /nfs/dbraw/zinc/30/39/85/337303985.db2.gz FMYOHQURMCMFFS-NXHRZFHOSA-N 2 1 315.461 2.155 10 0 DEAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000398163305 337307720 /nfs/dbraw/zinc/30/77/20/337307720.db2.gz SNDPNIFNMNESEG-SUMDDJOVSA-N 2 1 315.461 2.155 10 0 DEAEMP CCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000105862532 522287430 /nfs/dbraw/zinc/28/74/30/522287430.db2.gz BGLVQIJTQVNAFY-CYBMUJFWSA-N 2 1 311.495 2.230 10 0 DEAEMP CCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000105862532 522287438 /nfs/dbraw/zinc/28/74/38/522287438.db2.gz BGLVQIJTQVNAFY-CYBMUJFWSA-N 2 1 311.495 2.230 10 0 DEAEMP COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261881377 536653942 /nfs/dbraw/zinc/65/39/42/536653942.db2.gz FIEMAQJKRRKYLU-GVDBMIGSSA-N 2 1 304.434 2.250 10 0 DEAEMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(N)[nH+]1 ZINC000383980380 685409255 /nfs/dbraw/zinc/40/92/55/685409255.db2.gz LTOZHSRNKFUDJW-DLBZAZTESA-N 2 1 323.444 2.156 10 0 DEAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246185247 685125295 /nfs/dbraw/zinc/12/52/95/685125295.db2.gz COVYNIOAOOYWFK-RZFLPCETSA-N 2 1 321.509 2.391 10 0 DEAEMP