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(Cc1ccccc1)C2 ZINC000716619791 792978805 /nfs/dbraw/zinc/97/88/05/792978805.db2.gz HWCXXLAXXNRPHY-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CC(C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(N)=O ZINC000716731222 793003756 /nfs/dbraw/zinc/00/37/56/793003756.db2.gz ANUFSWWYGVLOPA-BBWFWOEESA-N 1 3 315.461 2.141 10 0 DEAEHO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000710995318 1086692590 /nfs/dbraw/zinc/69/25/90/1086692590.db2.gz MHXNXDGKDGPPJZ-JQHSSLGASA-N 1 3 318.461 2.496 10 0 DEAEHO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711250968 1087035737 /nfs/dbraw/zinc/03/57/37/1087035737.db2.gz OSNPMDRUGFTVEL-DLBZAZTESA-N 1 3 315.461 2.013 10 0 DEAEHO CN(C)CCN(Cc1ccccc1)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711328034 1087065508 /nfs/dbraw/zinc/06/55/08/1087065508.db2.gz CTOZMLCNYZCOBV-MJGOQNOKSA-N 1 3 315.461 2.109 10 0 DEAEHO CCN1CC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711426597 1087100931 /nfs/dbraw/zinc/10/09/31/1087100931.db2.gz UHQASGMQSFOXRC-SOUVJXGZSA-N 1 3 311.470 2.221 10 0 DEAEHO CCCc1nsc(N2CCCN(CCCCC[NH3+])CC2)n1 ZINC000087639612 185229742 /nfs/dbraw/zinc/22/97/42/185229742.db2.gz QCIDPADIJQBYSI-UHFFFAOYSA-N 1 3 311.499 2.132 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH+](C)C ZINC000186753024 539676611 /nfs/dbraw/zinc/67/66/11/539676611.db2.gz NHDBOTHKRXSUQO-INIZCTEOSA-N 1 3 320.481 2.100 10 0 DEAEHO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@H]1CN(C)CCN1C ZINC000149610794 186051606 /nfs/dbraw/zinc/05/16/06/186051606.db2.gz OTDKRTUKDLUZSO-IRXDYDNUSA-N 1 3 309.885 2.497 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000172134851 198045271 /nfs/dbraw/zinc/04/52/71/198045271.db2.gz RWWUXDLBINNTJX-RHSMWYFYSA-N 1 3 316.449 2.449 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000172134851 198045272 /nfs/dbraw/zinc/04/52/72/198045272.db2.gz RWWUXDLBINNTJX-RHSMWYFYSA-N 1 3 316.449 2.449 10 0 DEAEHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173977597 198275260 /nfs/dbraw/zinc/27/52/60/198275260.db2.gz LEHBYUFXTKGFGL-CYBMUJFWSA-N 1 3 315.417 2.271 10 0 DEAEHO C[C@H](CCNC(=O)NCCN1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000181589718 356087324 /nfs/dbraw/zinc/08/73/24/356087324.db2.gz MPTUJLPBZBKFCZ-IAGOWNOFSA-N 1 3 324.513 2.425 10 0 DEAEHO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000184601670 356193937 /nfs/dbraw/zinc/19/39/37/356193937.db2.gz UTDCQDQXTYAQNQ-ZBFHGGJFSA-N 1 3 305.466 2.430 10 0 DEAEHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399548408 283153216 /nfs/dbraw/zinc/15/32/16/283153216.db2.gz BJLQOIJCTRWXBC-VYDXJSESSA-N 1 3 305.466 2.243 10 0 DEAEHO CCCc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)sc1C[NH2+]C ZINC000092004874 193139280 /nfs/dbraw/zinc/13/92/80/193139280.db2.gz XKEVPUVTKHINFM-OLZOCXBDSA-N 1 3 308.495 2.488 10 0 DEAEHO CCN(CC(C)(C)O)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000092983418 193191410 /nfs/dbraw/zinc/19/14/10/193191410.db2.gz FFFZJYYNFGEULG-QGZVFWFLSA-N 1 3 300.487 2.122 10 0 DEAEHO CCCN[C@@]1(C(N)=O)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756567 193301742 /nfs/dbraw/zinc/30/17/42/193301742.db2.gz ZCPFTDRQKJWWGV-YPMHNXCESA-N 1 3 309.376 2.037 10 0 DEAEHO CCCN[C@@]1(C(N)=O)CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756567 193301744 /nfs/dbraw/zinc/30/17/44/193301744.db2.gz ZCPFTDRQKJWWGV-YPMHNXCESA-N 1 3 309.376 2.037 10 0 DEAEHO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)ccc1CN ZINC000094334363 193360490 /nfs/dbraw/zinc/36/04/90/193360490.db2.gz ZVOLNFDFMVJNNW-NSHDSACASA-N 1 3 302.344 2.090 10 0 DEAEHO CN(C[C@@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)ccc1CN ZINC000094334363 193360492 /nfs/dbraw/zinc/36/04/92/193360492.db2.gz ZVOLNFDFMVJNNW-NSHDSACASA-N 1 3 302.344 2.090 10 0 DEAEHO CN1CCCN([C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC000020217641 182198259 /nfs/dbraw/zinc/19/82/59/182198259.db2.gz NEUGXFSBOBFDJN-AWEZNQCLSA-N 1 3 312.255 2.086 10 0 DEAEHO COC(=O)Cc1c(C)nc2ccccc2c1NCC[NH+](C)C ZINC000041473175 183193027 /nfs/dbraw/zinc/19/30/27/183193027.db2.gz UYTVIHKALNLKBR-UHFFFAOYSA-N 1 3 301.390 2.232 10 0 DEAEHO C[C@@H]([NH3+])Cc1ccc(OCCN(C)C)c(Br)c1 ZINC000062704193 184248841 /nfs/dbraw/zinc/24/88/41/184248841.db2.gz URIMPKUKEUFPDJ-SNVBAGLBSA-N 1 3 301.228 2.279 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1C ZINC000357407878 133075910 /nfs/dbraw/zinc/07/59/10/133075910.db2.gz FPKYMJNUWMDRDL-QAPCUYQASA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1C ZINC000357407878 133075911 /nfs/dbraw/zinc/07/59/11/133075911.db2.gz FPKYMJNUWMDRDL-QAPCUYQASA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1C ZINC000357407880 133076112 /nfs/dbraw/zinc/07/61/12/133076112.db2.gz FPKYMJNUWMDRDL-YJBOKZPZSA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1C ZINC000357407880 133076113 /nfs/dbraw/zinc/07/61/13/133076113.db2.gz FPKYMJNUWMDRDL-YJBOKZPZSA-N 1 3 315.461 2.495 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359667813 133138111 /nfs/dbraw/zinc/13/81/11/133138111.db2.gz PWKAWYKJCMXOSB-DLBZAZTESA-N 1 3 307.482 2.195 10 0 DEAEHO C[C@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248997006 145175036 /nfs/dbraw/zinc/17/50/36/145175036.db2.gz PFMNHYJJMXRGQQ-DUQJVZAFSA-N 1 3 309.498 2.091 10 0 DEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457393 145185073 /nfs/dbraw/zinc/18/50/73/145185073.db2.gz YFOBZLHGKDMQHP-RBUKOAKNSA-N 1 3 323.525 2.030 10 0 DEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457393 145185074 /nfs/dbraw/zinc/18/50/74/145185074.db2.gz YFOBZLHGKDMQHP-RBUKOAKNSA-N 1 3 323.525 2.030 10 0 DEAEHO CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000261540003 145205908 /nfs/dbraw/zinc/20/59/08/145205908.db2.gz DMRFIDYTYFXQJU-KRWDZBQOSA-N 1 3 303.450 2.096 10 0 DEAEHO CC(C)NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110102 401783259 /nfs/dbraw/zinc/78/32/59/401783259.db2.gz FAOGQNGHGRYRBV-SFHVURJKSA-N 1 3 317.477 2.355 10 0 DEAEHO CC(C)NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110102 401783263 /nfs/dbraw/zinc/78/32/63/401783263.db2.gz FAOGQNGHGRYRBV-SFHVURJKSA-N 1 3 317.477 2.355 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000119097291 401925737 /nfs/dbraw/zinc/92/57/37/401925737.db2.gz JLHPBPRCYZJLEY-RDHHWEPZSA-N 1 3 324.513 2.231 10 0 DEAEHO Cc1noc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)n1 ZINC000089518272 401950441 /nfs/dbraw/zinc/95/04/41/401950441.db2.gz YSVGWZJTLTXXAM-ZDUSSCGKSA-N 1 3 318.421 2.212 10 0 DEAEHO CC(C)C[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184717156 402294312 /nfs/dbraw/zinc/29/43/12/402294312.db2.gz QKVQYDZYPFUMPQ-OAHLLOKOSA-N 1 3 309.498 2.343 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000186629469 402449077 /nfs/dbraw/zinc/44/90/77/402449077.db2.gz CXFBBAFTKWJXBI-SJORKVTESA-N 1 3 318.465 2.025 10 0 DEAEHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245682422 402479441 /nfs/dbraw/zinc/47/94/41/402479441.db2.gz VPICASQSCQVJDY-SJORKVTESA-N 1 3 318.465 2.073 10 0 DEAEHO COC[C@H](C)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000187686135 402508226 /nfs/dbraw/zinc/50/82/26/402508226.db2.gz WABAGAIQHGZZAI-GOSISDBHSA-N 1 3 319.493 2.461 10 0 DEAEHO CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)N(C)C ZINC000182533659 402697827 /nfs/dbraw/zinc/69/78/27/402697827.db2.gz STMGEKXDADZKKP-DOTOQJQBSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000182533659 402697829 /nfs/dbraw/zinc/69/78/29/402697829.db2.gz STMGEKXDADZKKP-DOTOQJQBSA-N 1 3 305.466 2.353 10 0 DEAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309702694 403961773 /nfs/dbraw/zinc/96/17/73/403961773.db2.gz GTJVSIVCGPOZQT-MSOLQXFVSA-N 1 3 315.461 2.109 10 0 DEAEHO C(CN1CC[C@@]2(C1)CCCOC2)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276776 404720832 /nfs/dbraw/zinc/72/08/32/404720832.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CC[C@@]2(C1)CCCOC2)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276776 404720833 /nfs/dbraw/zinc/72/08/33/404720833.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CC[C@]2(C1)CCCOC2)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276776 404720834 /nfs/dbraw/zinc/72/08/34/404720834.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CC[C@]2(C1)CCCOC2)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276776 404720835 /nfs/dbraw/zinc/72/08/35/404720835.db2.gz HOLSSGQZPVULED-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635010083 406398906 /nfs/dbraw/zinc/39/89/06/406398906.db2.gz YAUDMCAKXCOOJF-RGIVZKHGSA-N 1 3 315.461 2.333 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638103509 406572026 /nfs/dbraw/zinc/57/20/26/406572026.db2.gz PPPKICJMSOYUNX-JLSDUUJJSA-N 1 3 313.445 2.203 10 0 DEAEHO CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381910628 424909413 /nfs/dbraw/zinc/90/94/13/424909413.db2.gz ZSOHSBBKLISRQT-ABHNRTSZSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972217 424916859 /nfs/dbraw/zinc/91/68/59/424916859.db2.gz CNKJLCPFIUTHKY-AGERRDQYSA-N 1 3 315.461 2.141 10 0 DEAEHO [NH3+]C1CCC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000390755806 424917399 /nfs/dbraw/zinc/91/73/99/424917399.db2.gz VURQECGXVFLZLZ-ABHNRTSZSA-N 1 3 315.461 2.285 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000174387500 267496830 /nfs/dbraw/zinc/49/68/30/267496830.db2.gz MCXGQCXQFZQYGV-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000174387500 267496834 /nfs/dbraw/zinc/49/68/34/267496834.db2.gz MCXGQCXQFZQYGV-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO CN1CC=C(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392196004 269099266 /nfs/dbraw/zinc/09/92/66/269099266.db2.gz COLIETVGWJILJX-MRXNPFEDSA-N 1 3 323.481 2.485 10 0 DEAEHO CCN(CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CC1 ZINC000107843714 279194234 /nfs/dbraw/zinc/19/42/34/279194234.db2.gz QSDBCKAURUPICC-KRWDZBQOSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000398163297 337307727 /nfs/dbraw/zinc/30/77/27/337307727.db2.gz SNDPNIFNMNESEG-AYBZRNKSSA-N 1 3 315.461 2.155 10 0 DEAEHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@H](C)[NH3+] ZINC000248873763 521231457 /nfs/dbraw/zinc/23/14/57/521231457.db2.gz PQZYILIFCZXFOY-FUHWJXTLSA-N 1 3 317.477 2.484 10 0 DEAEHO COCC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619789 792979479 /nfs/dbraw/zinc/97/94/79/792979479.db2.gz HWCXXLAXXNRPHY-MANSERQUSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677604 792983589 /nfs/dbraw/zinc/98/35/89/792983589.db2.gz GPPNEXQFSVDBHP-ZSYWTGECSA-N 1 3 318.461 2.027 10 0 DEAEHO C[C@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)N(C)Cc1ccccc1 ZINC000711339381 1087067850 /nfs/dbraw/zinc/06/78/50/1087067850.db2.gz LSBSVIGJHBYJLG-SUMDDJOVSA-N 1 3 315.461 2.155 10 0 DEAEHO CC(C)(C)c1nsc(N2CCCN(CCCC[NH3+])CC2)n1 ZINC000087639583 185229779 /nfs/dbraw/zinc/22/97/79/185229779.db2.gz TYOVDFKKGZATCL-UHFFFAOYSA-N 1 3 311.499 2.087 10 0 DEAEHO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179620807 282230502 /nfs/dbraw/zinc/23/05/02/282230502.db2.gz VPICASQSCQVJDY-DLBZAZTESA-N 1 3 318.465 2.073 10 0 DEAEHO CN1CCC[C@@H]1C[N@H+](C)C1(CN)CCC(C(F)(F)F)CC1 ZINC000092625278 185330125 /nfs/dbraw/zinc/33/01/25/185330125.db2.gz NQUHWFHACRHWAJ-ROKHWSDSSA-N 1 3 307.404 2.462 10 0 DEAEHO CN1CCC[C@@H]1C[N@@H+](C)C1(CN)CCC(C(F)(F)F)CC1 ZINC000092625278 185330126 /nfs/dbraw/zinc/33/01/26/185330126.db2.gz NQUHWFHACRHWAJ-ROKHWSDSSA-N 1 3 307.404 2.462 10 0 DEAEHO COc1ccc2c(c1)[C@@H](CN)N(CCCC[NH+]1CCCC1)C2 ZINC000071683128 191006410 /nfs/dbraw/zinc/00/64/10/191006410.db2.gz JRDKSXFPMIZVPS-GOSISDBHSA-N 1 3 303.450 2.387 10 0 DEAEHO CN1CC[C@H](C[N@H+](C)Cc2cc(N)cc(Br)c2)C1 ZINC000148058989 186042560 /nfs/dbraw/zinc/04/25/60/186042560.db2.gz WVFHDNSFDJIWIW-NSHDSACASA-N 1 3 312.255 2.415 10 0 DEAEHO CN1CC[C@H](C[N@@H+](C)Cc2cc(N)cc(Br)c2)C1 ZINC000148058989 186042562 /nfs/dbraw/zinc/04/25/62/186042562.db2.gz WVFHDNSFDJIWIW-NSHDSACASA-N 1 3 312.255 2.415 10 0 DEAEHO C[NH2+][C@H](C[C@@H]1CN(C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149572805 186050948 /nfs/dbraw/zinc/05/09/48/186050948.db2.gz VEPAZTZUGDKJFR-UKRRQHHQSA-N 1 3 311.857 2.245 10 0 DEAEHO C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@H]1CN(C)CCN1C ZINC000149590902 186051916 /nfs/dbraw/zinc/05/19/16/186051916.db2.gz MWSFJHPSLYDMAG-OLZOCXBDSA-N 1 3 313.848 2.246 10 0 DEAEHO CC1CCC(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000236789090 202010103 /nfs/dbraw/zinc/01/01/03/202010103.db2.gz HAVZGPNCMXPSTL-UHFFFAOYSA-N 1 3 315.461 2.482 10 0 DEAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2COCCO2)C3)cc1 ZINC000447534303 239000151 /nfs/dbraw/zinc/00/01/51/239000151.db2.gz WFJRLBZNCHFVCW-AKHDSKFASA-N 1 3 316.445 2.187 10 0 DEAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2COCCO2)C3)cc1 ZINC000447534303 239000159 /nfs/dbraw/zinc/00/01/59/239000159.db2.gz WFJRLBZNCHFVCW-AKHDSKFASA-N 1 3 316.445 2.187 10 0 DEAEHO c1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)n(-c2ccncc2)n1 ZINC000623729275 365152648 /nfs/dbraw/zinc/15/26/48/365152648.db2.gz WTCRHNHSUQJNRF-QGZVFWFLSA-N 1 3 311.433 2.374 10 0 DEAEHO CCN(CC(C)(C)O)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000092983543 193191461 /nfs/dbraw/zinc/19/14/61/193191461.db2.gz DWVFYIJFJHHRQF-UHFFFAOYSA-N 1 3 300.487 2.264 10 0 DEAEHO Cc1cccc(CN(CCN(C)C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262310837 203257369 /nfs/dbraw/zinc/25/73/69/203257369.db2.gz AKQVYDLABAETIR-WMZOPIPTSA-N 1 3 317.477 2.273 10 0 DEAEHO C[NH2+][C@@H]1[C@H](CN(CCCOC)CCOC)CCCC1(C)C ZINC000094287545 193356217 /nfs/dbraw/zinc/35/62/17/193356217.db2.gz KRGSOASSEZVGPR-JKSUJKDBSA-N 1 3 300.487 2.386 10 0 DEAEHO C[NH+](C)C(C)(C)COc1nc(C(F)(F)F)ccc1C(=N)N ZINC000094336877 193360800 /nfs/dbraw/zinc/36/08/00/193360800.db2.gz AZSIBYGFICYZRS-UHFFFAOYSA-N 1 3 304.316 2.103 10 0 DEAEHO COCCNCc1cc(Cl)c(OCC[NH+](C)C)c(OC)c1 ZINC000062727864 184250575 /nfs/dbraw/zinc/25/05/75/184250575.db2.gz PIYCLMKBHPLGDX-UHFFFAOYSA-N 1 3 316.829 2.025 10 0 DEAEHO C[NH2+][C@@H]1CCCc2nc(N3CC[C@H](N4CCCC4)C3)sc21 ZINC000062975181 184263649 /nfs/dbraw/zinc/26/36/49/184263649.db2.gz XBZHSLJKVMJECR-QWHCGFSZSA-N 1 3 306.479 2.414 10 0 DEAEHO CCC[C@@H](NC)c1c(Br)cnn1CC[NH+](C)C ZINC000158761867 197299288 /nfs/dbraw/zinc/29/92/88/197299288.db2.gz DWTWYBRCJBFPKW-LLVKDONJSA-N 1 3 303.248 2.268 10 0 DEAEHO CCOCC[N@H+](C)CC1(CNCCOC)CCC(C)CC1 ZINC000157555270 197196095 /nfs/dbraw/zinc/19/60/95/197196095.db2.gz TVMVDUQVEZWLDG-UHFFFAOYSA-N 1 3 300.487 2.387 10 0 DEAEHO CCOCC[N@@H+](C)CC1(CNCCOC)CCC(C)CC1 ZINC000157555270 197196097 /nfs/dbraw/zinc/19/60/97/197196097.db2.gz TVMVDUQVEZWLDG-UHFFFAOYSA-N 1 3 300.487 2.387 10 0 DEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000247508377 145139898 /nfs/dbraw/zinc/13/98/98/145139898.db2.gz YEHTWCUMEPPRAF-BRWVUGGUSA-N 1 3 324.513 2.135 10 0 DEAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000247508377 145139899 /nfs/dbraw/zinc/13/98/99/145139899.db2.gz YEHTWCUMEPPRAF-BRWVUGGUSA-N 1 3 324.513 2.135 10 0 DEAEHO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc2c(c1F)CCNC2 ZINC000261669901 145215100 /nfs/dbraw/zinc/21/51/00/145215100.db2.gz GFVGZZMLFWCPKN-GFCCVEGCSA-N 1 3 305.397 2.190 10 0 DEAEHO O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261805737 145227954 /nfs/dbraw/zinc/22/79/54/145227954.db2.gz HIMKKMUELKYRPX-HOTGVXAUSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261805737 145227955 /nfs/dbraw/zinc/22/79/55/145227955.db2.gz HIMKKMUELKYRPX-HOTGVXAUSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261805737 145227956 /nfs/dbraw/zinc/22/79/56/145227956.db2.gz HIMKKMUELKYRPX-HOTGVXAUSA-N 1 3 301.434 2.337 10 0 DEAEHO COCC[C@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230947 148221030 /nfs/dbraw/zinc/22/10/30/148221030.db2.gz OLNKXLSUAVSEEG-AKHDSKFASA-N 1 3 318.461 2.169 10 0 DEAEHO COCC[C@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374230947 148221033 /nfs/dbraw/zinc/22/10/33/148221033.db2.gz OLNKXLSUAVSEEG-AKHDSKFASA-N 1 3 318.461 2.169 10 0 DEAEHO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000120144975 401979918 /nfs/dbraw/zinc/97/99/18/401979918.db2.gz MALHFAVLMDYVHA-WBVHZDCISA-N 1 3 309.498 2.343 10 0 DEAEHO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000120145261 401979968 /nfs/dbraw/zinc/97/99/68/401979968.db2.gz MALHFAVLMDYVHA-NVXWUHKLSA-N 1 3 309.498 2.343 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000157706009 402298027 /nfs/dbraw/zinc/29/80/27/402298027.db2.gz HGMQXBXJKBXVQW-UHFFFAOYSA-N 1 3 322.497 2.034 10 0 DEAEHO CN(c1ccccc1CN[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000177578969 402417443 /nfs/dbraw/zinc/41/74/43/402417443.db2.gz BHFMLVCLSSYHHL-KRWDZBQOSA-N 1 3 317.477 2.486 10 0 DEAEHO CC(C)N1CCC[C@H](N2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000177705284 402428409 /nfs/dbraw/zinc/42/84/09/402428409.db2.gz KQORMHTUSQJJCW-KRWDZBQOSA-N 1 3 307.482 2.194 10 0 DEAEHO [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000166209467 402482650 /nfs/dbraw/zinc/48/26/50/402482650.db2.gz GEVWLTHIUDSZKV-HZPDHXFCSA-N 1 3 321.490 2.204 10 0 DEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000247013177 402553659 /nfs/dbraw/zinc/55/36/59/402553659.db2.gz HFMBIBNBNUKQLW-RYRKJORJSA-N 1 3 321.509 2.486 10 0 DEAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000247013177 402553660 /nfs/dbraw/zinc/55/36/60/402553660.db2.gz HFMBIBNBNUKQLW-RYRKJORJSA-N 1 3 321.509 2.486 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171191014 402565290 /nfs/dbraw/zinc/56/52/90/402565290.db2.gz AGSLAJUWPNROIO-KRWDZBQOSA-N 1 3 322.497 2.034 10 0 DEAEHO CC(C)[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829528 402530183 /nfs/dbraw/zinc/53/01/83/402530183.db2.gz CUPVABOXSIMKQD-IRXDYDNUSA-N 1 3 324.513 2.088 10 0 DEAEHO c1nc([C@@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814016 402717576 /nfs/dbraw/zinc/71/75/76/402717576.db2.gz PZKSCXJVZZNGEA-HZPDHXFCSA-N 1 3 302.466 2.398 10 0 DEAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331887 403726868 /nfs/dbraw/zinc/72/68/68/403726868.db2.gz WIHQMBKWZIVUBD-VWHBUJHXSA-N 1 3 313.445 2.407 10 0 DEAEHO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCN(C2CCCC2)CC1 ZINC000262643033 304388545 /nfs/dbraw/zinc/38/85/45/304388545.db2.gz LVTMSQDBDHWQQK-SZMVWBNQSA-N 1 3 319.493 2.384 10 0 DEAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379662728 405026977 /nfs/dbraw/zinc/02/69/77/405026977.db2.gz JCNOBANOLZKXQM-RYQLBKOJSA-N 1 3 315.461 2.155 10 0 DEAEHO CO[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000400128023 405063298 /nfs/dbraw/zinc/06/32/98/405063298.db2.gz PDGYJNQCEHOIJD-SFHVURJKSA-N 1 3 318.461 2.028 10 0 DEAEHO C[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060820 405697199 /nfs/dbraw/zinc/69/71/99/405697199.db2.gz JBKMMODPVROYLZ-SNRMKQJTSA-N 1 3 301.478 2.485 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000129027613 196012892 /nfs/dbraw/zinc/01/28/92/196012892.db2.gz FXNMBCUQKBWVBQ-HZPDHXFCSA-N 1 3 312.502 2.136 10 0 DEAEHO CN1CCC[C@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000134375945 196383790 /nfs/dbraw/zinc/38/37/90/196383790.db2.gz RJMWKASHQMHXDZ-AWEZNQCLSA-N 1 3 323.238 2.048 10 0 DEAEHO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000118786028 289261615 /nfs/dbraw/zinc/26/16/15/289261615.db2.gz MSBFENPCSVVHGK-MRXNPFEDSA-N 1 3 307.482 2.338 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281085 528220644 /nfs/dbraw/zinc/22/06/44/528220644.db2.gz KWUVHZUJOBUMAC-RYQLBKOJSA-N 1 3 319.493 2.336 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448281085 528220652 /nfs/dbraw/zinc/22/06/52/528220652.db2.gz KWUVHZUJOBUMAC-RYQLBKOJSA-N 1 3 319.493 2.336 10 0 DEAEHO CN(Cc1ccccc1)C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000714445678 792321437 /nfs/dbraw/zinc/32/14/37/792321437.db2.gz JCGBSASGVIBNDX-UHFFFAOYSA-N 1 3 317.477 2.342 10 0 DEAEHO COC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716619995 792979230 /nfs/dbraw/zinc/97/92/30/792979230.db2.gz JYRDRCPQZVGXLK-CADBVGFASA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@@H](CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619995 792979235 /nfs/dbraw/zinc/97/92/35/792979235.db2.gz JYRDRCPQZVGXLK-CADBVGFASA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@@H](CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716619995 792979242 /nfs/dbraw/zinc/97/92/42/792979242.db2.gz JYRDRCPQZVGXLK-CADBVGFASA-N 1 3 318.461 2.291 10 0 DEAEHO COCC[N@H+](C)CCCNCc1c[nH]nc1-c1ccccc1 ZINC000042230137 1078293182 /nfs/dbraw/zinc/29/31/82/1078293182.db2.gz KANDBAGKLRQNJZ-UHFFFAOYSA-N 1 3 302.422 2.135 10 0 DEAEHO COCC[N@@H+](C)CCCNCc1c[nH]nc1-c1ccccc1 ZINC000042230137 1078293185 /nfs/dbraw/zinc/29/31/85/1078293185.db2.gz KANDBAGKLRQNJZ-UHFFFAOYSA-N 1 3 302.422 2.135 10 0 DEAEHO C[NH2+]CCC(C)(C)c1c(Br)cnn1CCN(C)C ZINC000163759661 197648066 /nfs/dbraw/zinc/64/80/66/197648066.db2.gz CFKNJYAGNBNEOB-UHFFFAOYSA-N 1 3 317.275 2.094 10 0 DEAEHO CCN(CC)CCN[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000087912723 185237412 /nfs/dbraw/zinc/23/74/12/185237412.db2.gz LHMYFCKWPKDVPS-AWEZNQCLSA-N 1 3 314.271 2.380 10 0 DEAEHO C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268374 365707317 /nfs/dbraw/zinc/70/73/17/365707317.db2.gz YFWLSARNKLHUIK-YJBOKZPZSA-N 1 3 308.466 2.131 10 0 DEAEHO C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268374 365707323 /nfs/dbraw/zinc/70/73/23/365707323.db2.gz YFWLSARNKLHUIK-YJBOKZPZSA-N 1 3 308.466 2.131 10 0 DEAEHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCCN1C)[NH+]1CCCCCC1 ZINC000195125227 282369324 /nfs/dbraw/zinc/36/93/24/282369324.db2.gz FOSBUVPCQXQHNS-IRXDYDNUSA-N 1 3 324.513 2.280 10 0 DEAEHO COc1cccc2c1CN(CCCC[NH+]1CCCC1)[C@@H]2CN ZINC000071683150 191007811 /nfs/dbraw/zinc/00/78/11/191007811.db2.gz NFLKEVMRGHNJLH-QGZVFWFLSA-N 1 3 303.450 2.387 10 0 DEAEHO CCCCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245936460 539759465 /nfs/dbraw/zinc/75/94/65/539759465.db2.gz UAJIMOFGICXXCU-BRWVUGGUSA-N 1 3 312.498 2.407 10 0 DEAEHO CC[C@]1(C(=O)c2c(Cl)cnn2CCN(C)C)CCC[NH2+]C1 ZINC000164236340 186153372 /nfs/dbraw/zinc/15/33/72/186153372.db2.gz GDUFBGQKUYHBSG-HNNXBMFYSA-N 1 3 312.845 2.061 10 0 DEAEHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccccc1OCCN(C)C ZINC000236777386 202004078 /nfs/dbraw/zinc/00/40/78/202004078.db2.gz UAXDJVQPZOCSCY-INIZCTEOSA-N 1 3 321.465 2.072 10 0 DEAEHO Cc1cc([C@@H](C[NH3+])N(C)CCN(C)C)ccc1Br ZINC000091471159 193060615 /nfs/dbraw/zinc/06/06/15/193060615.db2.gz DPTVGMSSFMEZBG-CQSZACIVSA-N 1 3 314.271 2.251 10 0 DEAEHO CC1(C)[C@H](NCC2([NH3+])CCOCC2)C[C@H]1OCc1ccccc1 ZINC000629389021 367187536 /nfs/dbraw/zinc/18/75/36/367187536.db2.gz HZDRPZZQYSAXNW-IAGOWNOFSA-N 1 3 318.461 2.468 10 0 DEAEHO C[NH2+]CCOCCN(C)Cc1ccc(F)c(Br)c1 ZINC000629570329 367256368 /nfs/dbraw/zinc/25/63/68/367256368.db2.gz CCKRIXVZPWSFNE-UHFFFAOYSA-N 1 3 319.218 2.256 10 0 DEAEHO C[C@H]1CN(CCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631837487 368415262 /nfs/dbraw/zinc/41/52/62/368415262.db2.gz BVRKVULLWIZVGA-NWDGAFQWSA-N 1 3 313.239 2.355 10 0 DEAEHO COCCNCC1(C[N@H+](C)CC(C)(C)O)CCCCCC1 ZINC000092983284 193191144 /nfs/dbraw/zinc/19/11/44/193191144.db2.gz GDGPKLKNIMBQTE-UHFFFAOYSA-N 1 3 300.487 2.266 10 0 DEAEHO COCCNCC1(C[N@@H+](C)CC(C)(C)O)CCCCCC1 ZINC000092983284 193191146 /nfs/dbraw/zinc/19/11/46/193191146.db2.gz GDGPKLKNIMBQTE-UHFFFAOYSA-N 1 3 300.487 2.266 10 0 DEAEHO COCC[NH2+]CC1(CN(C)CC(C)(C)O)CCCCCC1 ZINC000092983284 193191147 /nfs/dbraw/zinc/19/11/47/193191147.db2.gz GDGPKLKNIMBQTE-UHFFFAOYSA-N 1 3 300.487 2.266 10 0 DEAEHO CCOCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915707 194168406 /nfs/dbraw/zinc/16/84/06/194168406.db2.gz KHKHQNVDKSNNJZ-IBGZPJMESA-N 1 3 320.477 2.400 10 0 DEAEHO CCOCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915707 194168409 /nfs/dbraw/zinc/16/84/09/194168409.db2.gz KHKHQNVDKSNNJZ-IBGZPJMESA-N 1 3 320.477 2.400 10 0 DEAEHO Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C(N)=S)c(C)n1 ZINC000156700468 197134046 /nfs/dbraw/zinc/13/40/46/197134046.db2.gz YAASRSLNZRQLOQ-WCQYABFASA-N 1 3 304.463 2.006 10 0 DEAEHO Cc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C(N)=S)c(C)n1 ZINC000156700468 197134048 /nfs/dbraw/zinc/13/40/48/197134048.db2.gz YAASRSLNZRQLOQ-WCQYABFASA-N 1 3 304.463 2.006 10 0 DEAEHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2NCCCC2(C)C)cc1 ZINC000261890024 145237957 /nfs/dbraw/zinc/23/79/57/145237957.db2.gz NQEPFFGLRBHQJR-MRXNPFEDSA-N 1 3 319.449 2.344 10 0 DEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262671124 145298970 /nfs/dbraw/zinc/29/89/70/145298970.db2.gz OKUHWZOWCQULCQ-OIISXLGYSA-N 1 3 315.461 2.456 10 0 DEAEHO C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000358489466 147144252 /nfs/dbraw/zinc/14/42/52/147144252.db2.gz BVNQTBPSVBHNQR-SJORKVTESA-N 1 3 324.513 2.234 10 0 DEAEHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000370763670 148053600 /nfs/dbraw/zinc/05/36/00/148053600.db2.gz NPVAWLWUNCAOQL-ROUUACIJSA-N 1 3 315.461 2.014 10 0 DEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000052519279 402042984 /nfs/dbraw/zinc/04/29/84/402042984.db2.gz VOUBRMHTYLJLEH-SJORKVTESA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000052519279 402042985 /nfs/dbraw/zinc/04/29/85/402042985.db2.gz VOUBRMHTYLJLEH-SJORKVTESA-N 1 3 318.465 2.073 10 0 DEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000123468419 402129238 /nfs/dbraw/zinc/12/92/38/402129238.db2.gz YEHTWCUMEPPRAF-GVDBMIGSSA-N 1 3 324.513 2.135 10 0 DEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000123468419 402129239 /nfs/dbraw/zinc/12/92/39/402129239.db2.gz YEHTWCUMEPPRAF-GVDBMIGSSA-N 1 3 324.513 2.135 10 0 DEAEHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](N)c1ccccc1 ZINC000237394367 402407261 /nfs/dbraw/zinc/40/72/61/402407261.db2.gz UJCJKDFJKPSCEF-SNGNKRRRSA-N 1 3 301.434 2.064 10 0 DEAEHO [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000166209329 402482676 /nfs/dbraw/zinc/48/26/76/402482676.db2.gz GEVWLTHIUDSZKV-HOTGVXAUSA-N 1 3 321.490 2.204 10 0 DEAEHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C12CCOCC2 ZINC000248922966 402614479 /nfs/dbraw/zinc/61/44/79/402614479.db2.gz FKIYGBLFBXTNSX-VVLHAWIVSA-N 1 3 310.482 2.423 10 0 DEAEHO c1nc([C@@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814019 402717765 /nfs/dbraw/zinc/71/77/65/402717765.db2.gz PZKSCXJVZZNGEA-JKSUJKDBSA-N 1 3 302.466 2.398 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000174522063 402745352 /nfs/dbraw/zinc/74/53/52/402745352.db2.gz UBGAQOAQYZWPQZ-WBVHZDCISA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000195049508 402829293 /nfs/dbraw/zinc/82/92/93/402829293.db2.gz YHHCLRIYWKTISU-IRXDYDNUSA-N 1 3 324.513 2.280 10 0 DEAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000195049508 402829294 /nfs/dbraw/zinc/82/92/94/402829294.db2.gz YHHCLRIYWKTISU-IRXDYDNUSA-N 1 3 324.513 2.280 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175865396 402839153 /nfs/dbraw/zinc/83/91/53/402839153.db2.gz SGIZSLSUVNUDBC-XHSDSOJGSA-N 1 3 312.502 2.135 10 0 DEAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331888 403726817 /nfs/dbraw/zinc/72/68/17/403726817.db2.gz WIHQMBKWZIVUBD-ZTCUZBCZSA-N 1 3 313.445 2.407 10 0 DEAEHO [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000638079189 406558668 /nfs/dbraw/zinc/55/86/68/406558668.db2.gz CHOYSEPFVYTAPY-ZWKOTPCHSA-N 1 3 313.445 2.205 10 0 DEAEHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCCN(C3CC3)CC2)CC1 ZINC000194670107 277149638 /nfs/dbraw/zinc/14/96/38/277149638.db2.gz NTMPYODEGVUKKG-UHFFFAOYSA-N 1 3 322.497 2.129 10 0 DEAEHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256640 535493193 /nfs/dbraw/zinc/49/31/93/535493193.db2.gz UZAGUURRJDMCHJ-FUHWJXTLSA-N 1 3 317.477 2.498 10 0 DEAEHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256640 535493200 /nfs/dbraw/zinc/49/32/00/535493200.db2.gz UZAGUURRJDMCHJ-FUHWJXTLSA-N 1 3 317.477 2.498 10 0 DEAEHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262646141 536033479 /nfs/dbraw/zinc/03/34/79/536033479.db2.gz KCLWWBRVBNKHEL-KURKYZTESA-N 1 3 315.461 2.285 10 0 DEAEHO CO[C@@](C)(CO)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634419 792982783 /nfs/dbraw/zinc/98/27/83/792982783.db2.gz AVZVBDJXJYSYGJ-CADBVGFASA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@@](C)(CO)CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634419 792982787 /nfs/dbraw/zinc/98/27/87/792982787.db2.gz AVZVBDJXJYSYGJ-CADBVGFASA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@@](C)(CO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716634419 792982793 /nfs/dbraw/zinc/98/27/93/792982793.db2.gz AVZVBDJXJYSYGJ-CADBVGFASA-N 1 3 318.461 2.027 10 0 DEAEHO COC1(OC)CC[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000710968393 1086692638 /nfs/dbraw/zinc/69/26/38/1086692638.db2.gz SWRJQSGYDACMKW-IAGOWNOFSA-N 1 3 304.434 2.250 10 0 DEAEHO C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268369 365707798 /nfs/dbraw/zinc/70/77/98/365707798.db2.gz YFWLSARNKLHUIK-CRAIPNDOSA-N 1 3 308.466 2.131 10 0 DEAEHO C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268369 365707800 /nfs/dbraw/zinc/70/78/00/365707800.db2.gz YFWLSARNKLHUIK-CRAIPNDOSA-N 1 3 308.466 2.131 10 0 DEAEHO CN1CCC(Oc2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164324195 186156022 /nfs/dbraw/zinc/15/60/22/186156022.db2.gz KATPUGKPOALKMC-UHFFFAOYSA-N 1 3 301.312 2.462 10 0 DEAEHO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCN2CCCCC2)C1 ZINC000195271157 201371950 /nfs/dbraw/zinc/37/19/50/201371950.db2.gz UBZMQMCAGLSBMB-IBGZPJMESA-N 1 3 316.493 2.321 10 0 DEAEHO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCN2CCCCC2)C1 ZINC000195271157 201371953 /nfs/dbraw/zinc/37/19/53/201371953.db2.gz UBZMQMCAGLSBMB-IBGZPJMESA-N 1 3 316.493 2.321 10 0 DEAEHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261820068 291406560 /nfs/dbraw/zinc/40/65/60/291406560.db2.gz XUJAHPVOXHRSMX-DYVFJYSZSA-N 1 3 305.397 2.318 10 0 DEAEHO C[C@H]([NH3+])Cc1cccc(Br)c1OCCN(C)C ZINC000042412806 183266665 /nfs/dbraw/zinc/26/66/65/183266665.db2.gz BDLXGQVSFLHDGT-JTQLQIEISA-N 1 3 301.228 2.279 10 0 DEAEHO CC[NH2+]Cc1c(N2CCN(C)C(C)(C)C2)nc2sccn12 ZINC000110731129 194354488 /nfs/dbraw/zinc/35/44/88/194354488.db2.gz TYDNEDXVCGCDHC-UHFFFAOYSA-N 1 3 307.467 2.036 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000538315129 285031384 /nfs/dbraw/zinc/03/13/84/285031384.db2.gz DPSJNVUGPGBGCY-QGZVFWFLSA-N 1 3 303.450 2.061 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN(CC)C2)[C@H](C)C1 ZINC000360416880 133180676 /nfs/dbraw/zinc/18/06/76/133180676.db2.gz NEUJDBTXWAEBPA-KURKYZTESA-N 1 3 311.514 2.055 10 0 DEAEHO Cc1cnc(CC[N@@H+](C)CCCN2CCN(C(C)C)CC2)s1 ZINC000191596203 145061427 /nfs/dbraw/zinc/06/14/27/145061427.db2.gz JWUCPHLXQLKODU-UHFFFAOYSA-N 1 3 324.538 2.342 10 0 DEAEHO Cc1cnc(CC[N@H+](C)CCCN2CCN(C(C)C)CC2)s1 ZINC000191596203 145061428 /nfs/dbraw/zinc/06/14/28/145061428.db2.gz JWUCPHLXQLKODU-UHFFFAOYSA-N 1 3 324.538 2.342 10 0 DEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000248747549 145166473 /nfs/dbraw/zinc/16/64/73/145166473.db2.gz UCJWMZFANCMDGM-WMLDXEAASA-N 1 3 307.482 2.050 10 0 DEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000248747549 145166474 /nfs/dbraw/zinc/16/64/74/145166474.db2.gz UCJWMZFANCMDGM-WMLDXEAASA-N 1 3 307.482 2.050 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262121952 145263561 /nfs/dbraw/zinc/26/35/61/145263561.db2.gz IUJZDQAGMBEBFJ-UUAJXVIYSA-N 1 3 307.482 2.144 10 0 DEAEHO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000052519278 402043067 /nfs/dbraw/zinc/04/30/67/402043067.db2.gz VOUBRMHTYLJLEH-IRXDYDNUSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000052519278 402043068 /nfs/dbraw/zinc/04/30/68/402043068.db2.gz VOUBRMHTYLJLEH-IRXDYDNUSA-N 1 3 318.465 2.073 10 0 DEAEHO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000124312803 402174417 /nfs/dbraw/zinc/17/44/17/402174417.db2.gz ADNXLJJYNBYUFV-DLXPNOHRSA-N 1 3 309.498 2.484 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1sccc1Br ZINC000234734784 402360884 /nfs/dbraw/zinc/36/08/84/402360884.db2.gz FBBNUYKZQQVNPE-SECBINFHSA-N 1 3 307.257 2.354 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000177057742 402364636 /nfs/dbraw/zinc/36/46/36/402364636.db2.gz LBMXIXOWOSJUAK-OIISXLGYSA-N 1 3 324.440 2.118 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000177057742 402364640 /nfs/dbraw/zinc/36/46/40/402364640.db2.gz LBMXIXOWOSJUAK-OIISXLGYSA-N 1 3 324.440 2.118 10 0 DEAEHO c1ccn2c(c1)nnc2C1CC[NH+](CCCN2CCCC2)CC1 ZINC000162695188 402428916 /nfs/dbraw/zinc/42/89/16/402428916.db2.gz JYQKVUOSKXPQIT-UHFFFAOYSA-N 1 3 313.449 2.395 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247073135 402555664 /nfs/dbraw/zinc/55/56/64/402555664.db2.gz YQZCKBMIWITZEO-MSOLQXFVSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247073135 402555665 /nfs/dbraw/zinc/55/56/65/402555665.db2.gz YQZCKBMIWITZEO-MSOLQXFVSA-N 1 3 315.461 2.447 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000171192355 402565324 /nfs/dbraw/zinc/56/53/24/402565324.db2.gz MWEAAFWGQJTIGT-XHSDSOJGSA-N 1 3 324.513 2.136 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000171192355 402565327 /nfs/dbraw/zinc/56/53/27/402565327.db2.gz MWEAAFWGQJTIGT-XHSDSOJGSA-N 1 3 324.513 2.136 10 0 DEAEHO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000246195986 402517764 /nfs/dbraw/zinc/51/77/64/402517764.db2.gz ADNXLJJYNBYUFV-KWJBXHGQSA-N 1 3 309.498 2.484 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000246438860 402531286 /nfs/dbraw/zinc/53/12/86/402531286.db2.gz KAZLWPJOGCMSCX-PMPSAXMXSA-N 1 3 310.486 2.033 10 0 DEAEHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180930838 402630302 /nfs/dbraw/zinc/63/03/02/402630302.db2.gz ZSXVFBKNHAXBGE-INIZCTEOSA-N 1 3 317.481 2.298 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000173395675 402695961 /nfs/dbraw/zinc/69/59/61/402695961.db2.gz KNCKRNWPPUGNEL-CVEARBPZSA-N 1 3 324.513 2.375 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174173059 402730168 /nfs/dbraw/zinc/73/01/68/402730168.db2.gz KBXXQQSCSUMIOK-IRXDYDNUSA-N 1 3 324.513 2.090 10 0 DEAEHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174680710 402751606 /nfs/dbraw/zinc/75/16/06/402751606.db2.gz JQSGSHXABPYZBY-QGZVFWFLSA-N 1 3 322.497 2.154 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000175101161 402779010 /nfs/dbraw/zinc/77/90/10/402779010.db2.gz MSFWFNDQCVGVDA-BRWVUGGUSA-N 1 3 324.513 2.375 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000175101161 402779012 /nfs/dbraw/zinc/77/90/12/402779012.db2.gz MSFWFNDQCVGVDA-BRWVUGGUSA-N 1 3 324.513 2.375 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000194131277 402785131 /nfs/dbraw/zinc/78/51/31/402785131.db2.gz GZUJWMUNEXKORO-HNNXBMFYSA-N 1 3 310.486 2.034 10 0 DEAEHO c1c(CNCC2CC[NH+](C3CC3)CC2)[nH]nc1-c1cccnc1 ZINC000364762687 404529904 /nfs/dbraw/zinc/52/99/04/404529904.db2.gz BQURUFZULKVWMK-UHFFFAOYSA-N 1 3 311.433 2.436 10 0 DEAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1NC1CC[NH2+]CC1 ZINC000635001627 406394486 /nfs/dbraw/zinc/39/44/86/406394486.db2.gz WWWVCUVDXDWOJS-ILXRZTDVSA-N 1 3 307.235 2.429 10 0 DEAEHO Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CCNCC1 ZINC000635001627 406394487 /nfs/dbraw/zinc/39/44/87/406394487.db2.gz WWWVCUVDXDWOJS-ILXRZTDVSA-N 1 3 307.235 2.429 10 0 DEAEHO C(N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012404 406399867 /nfs/dbraw/zinc/39/98/67/406399867.db2.gz MIVCMFAZIHALBH-BRSBDYLESA-N 1 3 322.493 2.473 10 0 DEAEHO C[C@@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1nccn1C ZINC000183037908 287018984 /nfs/dbraw/zinc/01/89/84/287018984.db2.gz RAFXZPZBGXNDJR-MRXNPFEDSA-N 1 3 319.497 2.021 10 0 DEAEHO CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000173328260 267473751 /nfs/dbraw/zinc/47/37/51/267473751.db2.gz SZLUGOCZOITGJV-HZPDHXFCSA-N 1 3 312.502 2.229 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246332113 279319228 /nfs/dbraw/zinc/31/92/28/279319228.db2.gz BBKDFGDVBBBMQM-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000245399078 280099802 /nfs/dbraw/zinc/09/98/02/280099802.db2.gz VNEMZNUDEVWKOF-NVXWUHKLSA-N 1 3 320.481 2.319 10 0 DEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000245399078 280099804 /nfs/dbraw/zinc/09/98/04/280099804.db2.gz VNEMZNUDEVWKOF-NVXWUHKLSA-N 1 3 320.481 2.319 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000246996253 288312841 /nfs/dbraw/zinc/31/28/41/288312841.db2.gz PUFSYWGMSSNHPG-PBHICJAKSA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000246996253 288312843 /nfs/dbraw/zinc/31/28/43/288312843.db2.gz PUFSYWGMSSNHPG-PBHICJAKSA-N 1 3 301.434 2.057 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309902551 535848507 /nfs/dbraw/zinc/84/85/07/535848507.db2.gz PHERICSAWQQECX-CGTJXYLNSA-N 1 3 317.477 2.388 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309902551 535848513 /nfs/dbraw/zinc/84/85/13/535848513.db2.gz PHERICSAWQQECX-CGTJXYLNSA-N 1 3 317.477 2.388 10 0 DEAEHO CN(C)C(=O)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734527 793005323 /nfs/dbraw/zinc/00/53/23/793005323.db2.gz WAYINSSAZODQAH-KSZLIROESA-N 1 3 315.461 2.107 10 0 DEAEHO CN(C)C(=O)CCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734527 793005330 /nfs/dbraw/zinc/00/53/30/793005330.db2.gz WAYINSSAZODQAH-KSZLIROESA-N 1 3 315.461 2.107 10 0 DEAEHO CN(C)C(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734527 793005336 /nfs/dbraw/zinc/00/53/36/793005336.db2.gz WAYINSSAZODQAH-KSZLIROESA-N 1 3 315.461 2.107 10 0 DEAEHO CCCN1CC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710914541 1086690769 /nfs/dbraw/zinc/69/07/69/1086690769.db2.gz PPEUGODTVKWANR-CQSZACIVSA-N 1 3 311.470 2.175 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247130324 282479139 /nfs/dbraw/zinc/47/91/39/282479139.db2.gz SGIZSLSUVNUDBC-BZUAXINKSA-N 1 3 312.502 2.135 10 0 DEAEHO CCCCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181560265 539652886 /nfs/dbraw/zinc/65/28/86/539652886.db2.gz UAJIMOFGICXXCU-YESZJQIVSA-N 1 3 312.498 2.407 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000309730797 539878712 /nfs/dbraw/zinc/87/87/12/539878712.db2.gz OZRONCHGRXLOMA-DOTOQJQBSA-N 1 3 303.450 2.013 10 0 DEAEHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000073722472 191348806 /nfs/dbraw/zinc/34/88/06/191348806.db2.gz RYJCSUTUQLBDDT-HOTGVXAUSA-N 1 3 312.502 2.088 10 0 DEAEHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399548406 283153268 /nfs/dbraw/zinc/15/32/68/283153268.db2.gz BJLQOIJCTRWXBC-INMHGKMJSA-N 1 3 305.466 2.243 10 0 DEAEHO C[C@@H]([NH3+])CCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000193311897 201027302 /nfs/dbraw/zinc/02/73/02/201027302.db2.gz DUJXDXNASYFUDA-CABCVRRESA-N 1 3 303.450 2.456 10 0 DEAEHO CCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093190 240036600 /nfs/dbraw/zinc/03/66/00/240036600.db2.gz WKZQHXKMYYCTHI-HUUCEWRRSA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@@H+]1CC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093190 240036614 /nfs/dbraw/zinc/03/66/14/240036614.db2.gz WKZQHXKMYYCTHI-HUUCEWRRSA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@H+]1CC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093190 240036628 /nfs/dbraw/zinc/03/66/28/240036628.db2.gz WKZQHXKMYYCTHI-HUUCEWRRSA-N 1 3 324.490 2.125 10 0 DEAEHO CCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093191 240037038 /nfs/dbraw/zinc/03/70/38/240037038.db2.gz WKZQHXKMYYCTHI-LSDHHAIUSA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@@H+]1CC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093191 240037047 /nfs/dbraw/zinc/03/70/47/240037047.db2.gz WKZQHXKMYYCTHI-LSDHHAIUSA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@H+]1CC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093191 240037056 /nfs/dbraw/zinc/03/70/56/240037056.db2.gz WKZQHXKMYYCTHI-LSDHHAIUSA-N 1 3 324.490 2.125 10 0 DEAEHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093188 240037223 /nfs/dbraw/zinc/03/72/23/240037223.db2.gz WKZQHXKMYYCTHI-CABCVRRESA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@@H+]1CC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093188 240037229 /nfs/dbraw/zinc/03/72/29/240037229.db2.gz WKZQHXKMYYCTHI-CABCVRRESA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@H+]1CC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093188 240037239 /nfs/dbraw/zinc/03/72/39/240037239.db2.gz WKZQHXKMYYCTHI-CABCVRRESA-N 1 3 324.490 2.125 10 0 DEAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631691 193082044 /nfs/dbraw/zinc/08/20/44/193082044.db2.gz MOSNPQKBXYFNMM-LSDHHAIUSA-N 1 3 303.454 2.277 10 0 DEAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631691 193082045 /nfs/dbraw/zinc/08/20/45/193082045.db2.gz MOSNPQKBXYFNMM-LSDHHAIUSA-N 1 3 303.454 2.277 10 0 DEAEHO CCN(CC(=O)Nc1cccnc1Cl)C1CCC([NH3+])CC1 ZINC000091850937 193117510 /nfs/dbraw/zinc/11/75/10/193117510.db2.gz AUEFNMFRRQOKMV-UHFFFAOYSA-N 1 3 310.829 2.265 10 0 DEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CO[C@H](C2CC2)C1 ZINC000629545120 367243552 /nfs/dbraw/zinc/24/35/52/367243552.db2.gz BNFOGDNERFRVNG-TWKWOARYSA-N 1 3 314.429 2.399 10 0 DEAEHO C[C@H](C[C@H]1CCCCN1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000093486035 193258573 /nfs/dbraw/zinc/25/85/73/193258573.db2.gz AKHWIWNFDIADDE-HZSPNIEDSA-N 1 3 307.404 2.381 10 0 DEAEHO C[C@H](C[C@H]1CCCC[NH2+]1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000093486035 193258575 /nfs/dbraw/zinc/25/85/75/193258575.db2.gz AKHWIWNFDIADDE-HZSPNIEDSA-N 1 3 307.404 2.381 10 0 DEAEHO CCN[C@@H]1[C@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430083 193368263 /nfs/dbraw/zinc/36/82/63/193368263.db2.gz HKAUMPAKDNSOKI-UONOGXRCSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@@H]1[C@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430083 193368265 /nfs/dbraw/zinc/36/82/65/193368265.db2.gz HKAUMPAKDNSOKI-UONOGXRCSA-N 1 3 300.487 2.261 10 0 DEAEHO CN[C@H](CC1CC1)c1c(Br)cnn1CC[NH+](C)C ZINC000161502896 197499922 /nfs/dbraw/zinc/49/99/22/197499922.db2.gz MRAQURNFDNYLNZ-GFCCVEGCSA-N 1 3 315.259 2.268 10 0 DEAEHO O=C1CC[C@@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347663 296324738 /nfs/dbraw/zinc/32/47/38/296324738.db2.gz IPTLPQXRFPRNSO-QZTJIDSGSA-N 1 3 321.509 2.491 10 0 DEAEHO c1cc2c(cc1CN1CCS[C@@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564803591 292111725 /nfs/dbraw/zinc/11/17/25/292111725.db2.gz KGJPRVOUIBQCSX-IAGOWNOFSA-N 1 3 304.459 2.039 10 0 DEAEHO CCN(Cc1ccccc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000261540004 145205904 /nfs/dbraw/zinc/20/59/04/145205904.db2.gz DMRFIDYTYFXQJU-QGZVFWFLSA-N 1 3 303.450 2.096 10 0 DEAEHO CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261549213 145206688 /nfs/dbraw/zinc/20/66/88/145206688.db2.gz OJPNJORIIPNBLE-QZTJIDSGSA-N 1 3 315.461 2.252 10 0 DEAEHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000261767705 145224372 /nfs/dbraw/zinc/22/43/72/145224372.db2.gz MBYFVUKKFYYYBH-IBGZPJMESA-N 1 3 316.493 2.020 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246756388 402543974 /nfs/dbraw/zinc/54/39/74/402543974.db2.gz MLTNJHLGHKGBDC-GVDBMIGSSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246756388 402543976 /nfs/dbraw/zinc/54/39/76/402543976.db2.gz MLTNJHLGHKGBDC-GVDBMIGSSA-N 1 3 322.497 2.129 10 0 DEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000246406439 402529310 /nfs/dbraw/zinc/52/93/10/402529310.db2.gz LQPBHMDPEGZRNY-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000246406439 402529314 /nfs/dbraw/zinc/52/93/14/402529314.db2.gz LQPBHMDPEGZRNY-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246512824 402534733 /nfs/dbraw/zinc/53/47/33/402534733.db2.gz QPFIHTHLOVIRLV-YALNPMBYSA-N 1 3 303.450 2.264 10 0 DEAEHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246512824 402534735 /nfs/dbraw/zinc/53/47/35/402534735.db2.gz QPFIHTHLOVIRLV-YALNPMBYSA-N 1 3 303.450 2.264 10 0 DEAEHO O=C(C1CC[NH+](CCCN2CCCC2)CC1)N1CCCCC1 ZINC000179156551 402577142 /nfs/dbraw/zinc/57/71/42/402577142.db2.gz VTWYIFMHRKJUDZ-UHFFFAOYSA-N 1 3 307.482 2.197 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249748058 402640106 /nfs/dbraw/zinc/64/01/06/402640106.db2.gz AJMXIMNFPBYHDT-IAGOWNOFSA-N 1 3 324.513 2.282 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249748058 402640108 /nfs/dbraw/zinc/64/01/08/402640108.db2.gz AJMXIMNFPBYHDT-IAGOWNOFSA-N 1 3 324.513 2.282 10 0 DEAEHO CO[C@H](C)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182140812 402668467 /nfs/dbraw/zinc/66/84/67/402668467.db2.gz BAHSGLPXPZUSRG-APWZRJJASA-N 1 3 320.477 2.399 10 0 DEAEHO CO[C@H](C)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182140812 402668470 /nfs/dbraw/zinc/66/84/70/402668470.db2.gz BAHSGLPXPZUSRG-APWZRJJASA-N 1 3 320.477 2.399 10 0 DEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760481 402748493 /nfs/dbraw/zinc/74/84/93/402748493.db2.gz YFOBZLHGKDMQHP-RTBURBONSA-N 1 3 323.525 2.030 10 0 DEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760481 402748496 /nfs/dbraw/zinc/74/84/96/402748496.db2.gz YFOBZLHGKDMQHP-RTBURBONSA-N 1 3 323.525 2.030 10 0 DEAEHO C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)C(C)(C)C ZINC000175014910 402771362 /nfs/dbraw/zinc/77/13/62/402771362.db2.gz CIJUUNDXAOTWPN-CVEARBPZSA-N 1 3 322.497 2.009 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000175370046 402800879 /nfs/dbraw/zinc/80/08/79/402800879.db2.gz RCSRJDHIHABVIL-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390004749 405042528 /nfs/dbraw/zinc/04/25/28/405042528.db2.gz VVHFUMDZXPYKIS-NXHRZFHOSA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390004748 405042965 /nfs/dbraw/zinc/04/29/65/405042965.db2.gz VVHFUMDZXPYKIS-NJAFHUGGSA-N 1 3 315.461 2.013 10 0 DEAEHO COC1([C@@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCOCC1 ZINC000453095480 405283595 /nfs/dbraw/zinc/28/35/95/405283595.db2.gz SNYCYFGJSNSBQL-OAHLLOKOSA-N 1 3 306.450 2.422 10 0 DEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)CC/C=C/c1ccccc1 ZINC000530641393 405837942 /nfs/dbraw/zinc/83/79/42/405837942.db2.gz HOTNSFVPFSYHFV-XYOKQWHBSA-N 1 3 317.477 2.432 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118544 406579361 /nfs/dbraw/zinc/57/93/61/406579361.db2.gz AKHSFJKQKXDBTQ-CRAIPNDOSA-N 1 3 315.461 2.013 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000129028072 196012773 /nfs/dbraw/zinc/01/27/73/196012773.db2.gz FXNMBCUQKBWVBQ-CVEARBPZSA-N 1 3 312.502 2.136 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000133822594 196338813 /nfs/dbraw/zinc/33/88/13/196338813.db2.gz FYBSMNJMKRZHRA-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000133822594 196338814 /nfs/dbraw/zinc/33/88/14/196338814.db2.gz FYBSMNJMKRZHRA-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390775603 424917903 /nfs/dbraw/zinc/91/79/03/424917903.db2.gz MRIDKQYILKLNCK-NVXWUHKLSA-N 1 3 303.450 2.013 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303208613 424892695 /nfs/dbraw/zinc/89/26/95/424892695.db2.gz XQQUKJDWEHMDID-OKZBNKHCSA-N 1 3 315.461 2.142 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000164534080 278040944 /nfs/dbraw/zinc/04/09/44/278040944.db2.gz BSKJYOFOTSVNAH-OCVGTWLNSA-N 1 3 304.434 2.317 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000164534080 278040945 /nfs/dbraw/zinc/04/09/45/278040945.db2.gz BSKJYOFOTSVNAH-OCVGTWLNSA-N 1 3 304.434 2.317 10 0 DEAEHO CC1(C)CCCN[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262502528 278222423 /nfs/dbraw/zinc/22/24/23/278222423.db2.gz MDDRHNWWIQGGFR-INIZCTEOSA-N 1 3 307.482 2.242 10 0 DEAEHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261820070 300820609 /nfs/dbraw/zinc/82/06/09/300820609.db2.gz XUJAHPVOXHRSMX-GUYCJALGSA-N 1 3 305.397 2.318 10 0 DEAEHO CCCc1ccc([C@H](C)N(CC(N)=O)CC2CC[NH2+]CC2)cc1 ZINC000262116391 535426029 /nfs/dbraw/zinc/42/60/29/535426029.db2.gz BMRDMZZMYYXGEW-HNNXBMFYSA-N 1 3 317.477 2.487 10 0 DEAEHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262646138 536033561 /nfs/dbraw/zinc/03/35/61/536033561.db2.gz KCLWWBRVBNKHEL-KSZLIROESA-N 1 3 315.461 2.285 10 0 DEAEHO CC[C@H](CNC(=O)[C@H]([NH3+])[C@@H](C)CC)N1CCc2ccccc2C1 ZINC000237074390 636552232 /nfs/dbraw/zinc/55/22/32/636552232.db2.gz BODAKCGCSAJPOB-BMGDILEWSA-N 1 3 317.477 2.313 10 0 DEAEHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237153759 637291526 /nfs/dbraw/zinc/29/15/26/637291526.db2.gz UWQUUCRAKBBCME-DLBZAZTESA-N 1 3 303.450 2.094 10 0 DEAEHO CN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381899182 685402322 /nfs/dbraw/zinc/40/23/22/685402322.db2.gz VOSVTHJSBDRPNN-KRWDZBQOSA-N 1 3 317.477 2.498 10 0 DEAEHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000713040408 792212423 /nfs/dbraw/zinc/21/24/23/792212423.db2.gz FTIAYZPMTTXYSH-INIZCTEOSA-N 1 3 305.466 2.244 10 0 DEAEHO OCc1cnccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705944579 1086628094 /nfs/dbraw/zinc/62/80/94/1086628094.db2.gz IYCYLRPOSQPVLA-HDICACEKSA-N 1 3 309.413 2.142 10 0 DEAEHO OCc1cnccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705944579 1086628098 /nfs/dbraw/zinc/62/80/98/1086628098.db2.gz IYCYLRPOSQPVLA-HDICACEKSA-N 1 3 309.413 2.142 10 0 DEAEHO [NH3+]C[C@@H]1CC[C@H](CNCc2sccc2Br)O1 ZINC000087575939 185228746 /nfs/dbraw/zinc/22/87/46/185228746.db2.gz SFXAJSVJTQSGCQ-DTWKUNHWSA-N 1 3 305.241 2.107 10 0 DEAEHO CN(C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(Cc1nccs1)C2 ZINC000071683821 191006335 /nfs/dbraw/zinc/00/63/35/191006335.db2.gz MCDFWKKOGLZRCU-OAHLLOKOSA-N 1 3 302.447 2.220 10 0 DEAEHO CC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@H]1CN(C)CCN1C ZINC000149690341 186052270 /nfs/dbraw/zinc/05/22/70/186052270.db2.gz IHSIRDAWDRHFBN-CABCVRRESA-N 1 3 309.523 2.467 10 0 DEAEHO CCC(CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000073431487 191316410 /nfs/dbraw/zinc/31/64/10/191316410.db2.gz KETBENFOUSJIKA-MRXNPFEDSA-N 1 3 312.502 2.233 10 0 DEAEHO CCC(CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000073431487 191316412 /nfs/dbraw/zinc/31/64/12/191316412.db2.gz KETBENFOUSJIKA-MRXNPFEDSA-N 1 3 312.502 2.233 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382730908 540123980 /nfs/dbraw/zinc/12/39/80/540123980.db2.gz BANYIKHONHKCKN-WMZOPIPTSA-N 1 3 317.477 2.483 10 0 DEAEHO Cc1ccc(CN2CCC3(C[N@H+](C)C[C@@H]3CO)CC2)cc1C ZINC000169789477 355984066 /nfs/dbraw/zinc/98/40/66/355984066.db2.gz MSBJWKOCPSXQCK-GOSISDBHSA-N 1 3 302.462 2.440 10 0 DEAEHO Cc1ccc(CN2CCC3(C[N@@H+](C)C[C@@H]3CO)CC2)cc1C ZINC000169789477 355984069 /nfs/dbraw/zinc/98/40/69/355984069.db2.gz MSBJWKOCPSXQCK-GOSISDBHSA-N 1 3 302.462 2.440 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694003 357347106 /nfs/dbraw/zinc/34/71/06/357347106.db2.gz FYVGVRKSMPYNNH-MRXNPFEDSA-N 1 3 320.481 2.120 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694003 357347110 /nfs/dbraw/zinc/34/71/10/357347110.db2.gz FYVGVRKSMPYNNH-MRXNPFEDSA-N 1 3 320.481 2.120 10 0 DEAEHO C[N@H+](CC[C@@H]1CNCCO1)Cc1ccc(Br)cc1 ZINC000091313765 193037756 /nfs/dbraw/zinc/03/77/56/193037756.db2.gz JCQJCHQVZPIGOC-CQSZACIVSA-N 1 3 313.239 2.259 10 0 DEAEHO C[N@@H+](CC[C@@H]1CNCCO1)Cc1ccc(Br)cc1 ZINC000091313765 193037758 /nfs/dbraw/zinc/03/77/58/193037758.db2.gz JCQJCHQVZPIGOC-CQSZACIVSA-N 1 3 313.239 2.259 10 0 DEAEHO C[NH2+][C@H]1[C@@H](CN(CCCOC)CCOC)CCCC1(C)C ZINC000094287542 193356224 /nfs/dbraw/zinc/35/62/24/193356224.db2.gz KRGSOASSEZVGPR-CVEARBPZSA-N 1 3 300.487 2.386 10 0 DEAEHO C[NH+](C)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1CN ZINC000094334271 193360226 /nfs/dbraw/zinc/36/02/26/193360226.db2.gz SSJJCBWURZHESA-NSHDSACASA-N 1 3 302.344 2.090 10 0 DEAEHO CC(C)C[C@@H](C)OC[C@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071523 184204408 /nfs/dbraw/zinc/20/44/08/184204408.db2.gz XISCAGMBMMCTHF-BRWVUGGUSA-N 1 3 300.487 2.120 10 0 DEAEHO CC(C)C[C@@H](C)OC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071523 184204410 /nfs/dbraw/zinc/20/44/10/184204410.db2.gz XISCAGMBMMCTHF-BRWVUGGUSA-N 1 3 300.487 2.120 10 0 DEAEHO CCOCCCN1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130994 /nfs/dbraw/zinc/13/09/94/133130994.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130995 /nfs/dbraw/zinc/13/09/95/133130995.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@H+]1CC[C@@H](NCCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246707 133130996 /nfs/dbraw/zinc/13/09/96/133130996.db2.gz ZQIZZOGJZVIJHS-RBUKOAKNSA-N 1 3 323.525 2.365 10 0 DEAEHO CCN1CCN(c2ccccc2CN2CCC[C@H]([NH2+]C)C2)CC1 ZINC000261931488 145243649 /nfs/dbraw/zinc/24/36/49/145243649.db2.gz CVYDHAYLXXINDD-SFHVURJKSA-N 1 3 316.493 2.012 10 0 DEAEHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103108 148211053 /nfs/dbraw/zinc/21/10/53/148211053.db2.gz DJCQICWBVQZRBN-QGZVFWFLSA-N 1 3 315.461 2.424 10 0 DEAEHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103108 148211054 /nfs/dbraw/zinc/21/10/54/148211054.db2.gz DJCQICWBVQZRBN-QGZVFWFLSA-N 1 3 315.461 2.424 10 0 DEAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954160 /nfs/dbraw/zinc/95/41/60/401954160.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 1 3 311.470 2.460 10 0 DEAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089614404 401954163 /nfs/dbraw/zinc/95/41/63/401954163.db2.gz BQMXHKMOJCOIJK-GJZGRUSLSA-N 1 3 311.470 2.460 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000152373905 402092847 /nfs/dbraw/zinc/09/28/47/402092847.db2.gz HRGUUVRGYQXOKK-GVDBMIGSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000152373905 402092851 /nfs/dbraw/zinc/09/28/51/402092851.db2.gz HRGUUVRGYQXOKK-GVDBMIGSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC[N@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000101977092 402160065 /nfs/dbraw/zinc/16/00/65/402160065.db2.gz BNAUXYQEQVWPHC-KRWDZBQOSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@@H+](CCNC(=O)N[C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000101977092 402160067 /nfs/dbraw/zinc/16/00/67/402160067.db2.gz BNAUXYQEQVWPHC-KRWDZBQOSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000176971197 402355336 /nfs/dbraw/zinc/35/53/36/402355336.db2.gz JBWAIKJSYXCXRX-KRWDZBQOSA-N 1 3 303.450 2.305 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000176971197 402355339 /nfs/dbraw/zinc/35/53/39/402355339.db2.gz JBWAIKJSYXCXRX-KRWDZBQOSA-N 1 3 303.450 2.305 10 0 DEAEHO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000247182129 402559581 /nfs/dbraw/zinc/55/95/81/402559581.db2.gz LAJPAXHLENBZJJ-IRXDYDNUSA-N 1 3 320.477 2.433 10 0 DEAEHO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000247182129 402559583 /nfs/dbraw/zinc/55/95/83/402559583.db2.gz LAJPAXHLENBZJJ-IRXDYDNUSA-N 1 3 320.477 2.433 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553883 402536657 /nfs/dbraw/zinc/53/66/57/402536657.db2.gz YSTNGUSBCVTXCM-TWMKSMIVSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553883 402536658 /nfs/dbraw/zinc/53/66/58/402536658.db2.gz YSTNGUSBCVTXCM-TWMKSMIVSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000173278415 402690519 /nfs/dbraw/zinc/69/05/19/402690519.db2.gz UTYDXSMHXXUJFT-ZFWWWQNUSA-N 1 3 324.513 2.420 10 0 DEAEHO CC(C)OCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569194 402700626 /nfs/dbraw/zinc/70/06/26/402700626.db2.gz CFZNCLRPHCYKHJ-JWTNVVGKSA-N 1 3 309.498 2.044 10 0 DEAEHO CC(C)OCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569194 402700629 /nfs/dbraw/zinc/70/06/29/402700629.db2.gz CFZNCLRPHCYKHJ-JWTNVVGKSA-N 1 3 309.498 2.044 10 0 DEAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000262086950 402722025 /nfs/dbraw/zinc/72/20/25/402722025.db2.gz HPJDENXZVWLJHQ-BRWVUGGUSA-N 1 3 303.450 2.313 10 0 DEAEHO CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000194740249 402813750 /nfs/dbraw/zinc/81/37/50/402813750.db2.gz UJJVTDYUPSEONL-ZWKOTPCHSA-N 1 3 317.477 2.355 10 0 DEAEHO CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000194740249 402813753 /nfs/dbraw/zinc/81/37/53/402813753.db2.gz UJJVTDYUPSEONL-ZWKOTPCHSA-N 1 3 317.477 2.355 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000194146156 402785550 /nfs/dbraw/zinc/78/55/50/402785550.db2.gz IMERHUBMEKWVMG-MRXNPFEDSA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000194146156 402785553 /nfs/dbraw/zinc/78/55/53/402785553.db2.gz IMERHUBMEKWVMG-MRXNPFEDSA-N 1 3 324.513 2.425 10 0 DEAEHO C[NH2+][C@H](C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851512 405713276 /nfs/dbraw/zinc/71/32/76/405713276.db2.gz NHNFTPHXOCRCSN-WBVHZDCISA-N 1 3 303.450 2.155 10 0 DEAEHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852006 405715379 /nfs/dbraw/zinc/71/53/79/405715379.db2.gz SPYIDBHGXNHMKB-NVXWUHKLSA-N 1 3 303.450 2.142 10 0 DEAEHO C[C@@H](C[NH3+])C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852005 405715533 /nfs/dbraw/zinc/71/55/33/405715533.db2.gz SPYIDBHGXNHMKB-DOTOQJQBSA-N 1 3 303.450 2.142 10 0 DEAEHO Brc1cccc2c1C[C@@H]1[C@H](NC3CC[NH2+]CC3)[C@H]21 ZINC000634997374 406390687 /nfs/dbraw/zinc/39/06/87/406390687.db2.gz JTXBSQNFAKWGTE-CFVMTHIKSA-N 1 3 307.235 2.429 10 0 DEAEHO Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CCNCC3)[C@H]21 ZINC000634997374 406390690 /nfs/dbraw/zinc/39/06/90/406390690.db2.gz JTXBSQNFAKWGTE-CFVMTHIKSA-N 1 3 307.235 2.429 10 0 DEAEHO CN1CCC[C@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000134376005 196384016 /nfs/dbraw/zinc/38/40/16/196384016.db2.gz YOHUSHAPZBUHGU-AWEZNQCLSA-N 1 3 323.238 2.048 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390750913 424917869 /nfs/dbraw/zinc/91/78/69/424917869.db2.gz SIIXPVXWJJQBFX-DLBZAZTESA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000390777115 424917928 /nfs/dbraw/zinc/91/79/28/424917928.db2.gz OBPKHNKXGSURSA-RDJZCZTQSA-N 1 3 303.450 2.142 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)N(C)Cc1ccccc1 ZINC000407360410 424932770 /nfs/dbraw/zinc/93/27/70/424932770.db2.gz HEJSZZPGMDHDAC-JLSDUUJJSA-N 1 3 315.461 2.154 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309593268 424893302 /nfs/dbraw/zinc/89/33/02/424893302.db2.gz PJGAUINUXJEDEE-IAGOWNOFSA-N 1 3 303.450 2.141 10 0 DEAEHO COCC(COC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390887280 269097832 /nfs/dbraw/zinc/09/78/32/269097832.db2.gz YXRQLNZYQVCCSE-JLYLLQBASA-N 1 3 318.461 2.433 10 0 DEAEHO CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261783627 276062108 /nfs/dbraw/zinc/06/21/08/276062108.db2.gz BOEMMJLWFXWMBU-ZMSDIMECSA-N 1 3 303.450 2.408 10 0 DEAEHO CC(C)C1CCC(N2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)CC1 ZINC000193321426 278708856 /nfs/dbraw/zinc/70/88/56/278708856.db2.gz OTBHXIZBEZCOAY-KLAILNCOSA-N 1 3 309.498 2.473 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000176227107 279325478 /nfs/dbraw/zinc/32/54/78/279325478.db2.gz GRCHONBKMLJNFW-HOTGVXAUSA-N 1 3 312.502 2.088 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000176227107 279325479 /nfs/dbraw/zinc/32/54/79/279325479.db2.gz GRCHONBKMLJNFW-HOTGVXAUSA-N 1 3 312.502 2.088 10 0 DEAEHO CN(C(=O)CCCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000309716425 625628850 /nfs/dbraw/zinc/62/88/50/625628850.db2.gz MAXXWRSCXHITFX-KRWDZBQOSA-N 1 3 303.450 2.238 10 0 DEAEHO Cc1nocc1CN1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886029121 691987192 /nfs/dbraw/zinc/98/71/92/691987192.db2.gz QVJINKIKGRYHMO-QGZVFWFLSA-N 1 3 316.405 2.093 10 0 DEAEHO C[C@@H](NCc1cn(C)nc1Br)C1CC[NH+](C)CC1 ZINC000712427141 792187763 /nfs/dbraw/zinc/18/77/63/792187763.db2.gz VYPGTEDJSAFAHQ-SNVBAGLBSA-N 1 3 315.259 2.003 10 0 DEAEHO OC1CC(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638695 792983082 /nfs/dbraw/zinc/98/30/82/792983082.db2.gz PUYHTDDGTYRZBK-VOUKYHDCSA-N 1 3 300.446 2.400 10 0 DEAEHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCCN2CCCC2)C1 ZINC000711426191 1081279371 /nfs/dbraw/zinc/27/93/71/1081279371.db2.gz QYJXOZLAWSJDMF-GASCZTMLSA-N 1 3 311.470 2.365 10 0 DEAEHO CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000711250970 1087036184 /nfs/dbraw/zinc/03/61/84/1087036184.db2.gz OSNPMDRUGFTVEL-IAGOWNOFSA-N 1 3 315.461 2.013 10 0 DEAEHO [NH3+]C[C@@H]1CC[C@@H](CNCc2sccc2Br)O1 ZINC000087575938 185228604 /nfs/dbraw/zinc/22/86/04/185228604.db2.gz SFXAJSVJTQSGCQ-IUCAKERBSA-N 1 3 305.241 2.107 10 0 DEAEHO C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@H]1CN(C)CCN1C ZINC000149584181 186051052 /nfs/dbraw/zinc/05/10/52/186051052.db2.gz MJRSPINNRPJKBO-CABCVRRESA-N 1 3 313.848 2.246 10 0 DEAEHO CCC(CC)[C@@H](CNC(=O)[C@@H](N)CCSC)[NH+]1CCCC1 ZINC000164388571 186158082 /nfs/dbraw/zinc/15/80/82/186158082.db2.gz SQBAFFZUESDSRJ-LSDHHAIUSA-N 1 3 315.527 2.084 10 0 DEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333551953 539963363 /nfs/dbraw/zinc/96/33/63/539963363.db2.gz KIEYWMRMYUZQIE-WCXIOVBPSA-N 1 3 316.449 2.001 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000157745879 355956545 /nfs/dbraw/zinc/95/65/45/355956545.db2.gz ZQOVGWPSHFFRLU-INIZCTEOSA-N 1 3 324.513 2.140 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000184935737 356199621 /nfs/dbraw/zinc/19/96/21/356199621.db2.gz AXLMHIWOZUMYRE-HZPDHXFCSA-N 1 3 310.486 2.034 10 0 DEAEHO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381616997 356672001 /nfs/dbraw/zinc/67/20/01/356672001.db2.gz ZGSOJPMGACQASU-KRWDZBQOSA-N 1 3 303.450 2.107 10 0 DEAEHO C[C@@H]([NH3+])CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000261877568 296016770 /nfs/dbraw/zinc/01/67/70/296016770.db2.gz SMBOTDHHUAIQCL-RHSMWYFYSA-N 1 3 317.477 2.313 10 0 DEAEHO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCN2CCCCC2)C1 ZINC000195271169 201371539 /nfs/dbraw/zinc/37/15/39/201371539.db2.gz UBZMQMCAGLSBMB-LJQANCHMSA-N 1 3 316.493 2.321 10 0 DEAEHO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCN2CCCCC2)C1 ZINC000195271169 201371542 /nfs/dbraw/zinc/37/15/42/201371542.db2.gz UBZMQMCAGLSBMB-LJQANCHMSA-N 1 3 316.493 2.321 10 0 DEAEHO CCN(CC(C)(C)O)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000092983388 193191164 /nfs/dbraw/zinc/19/11/64/193191164.db2.gz IYSFFOJYIQGFDX-QGZVFWFLSA-N 1 3 300.487 2.264 10 0 DEAEHO CCCN[C@]1(C(N)=O)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756560 193301791 /nfs/dbraw/zinc/30/17/91/193301791.db2.gz ZCPFTDRQKJWWGV-WCQYABFASA-N 1 3 309.376 2.037 10 0 DEAEHO CCCN[C@]1(C(N)=O)CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756560 193301794 /nfs/dbraw/zinc/30/17/94/193301794.db2.gz ZCPFTDRQKJWWGV-WCQYABFASA-N 1 3 309.376 2.037 10 0 DEAEHO CN[C@H]1[C@H](C[N@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428311 193368482 /nfs/dbraw/zinc/36/84/82/193368482.db2.gz GIMXRTRFTNLNGU-GJZGRUSLSA-N 1 3 300.487 2.382 10 0 DEAEHO CN[C@H]1[C@H](C[N@@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428311 193368484 /nfs/dbraw/zinc/36/84/84/193368484.db2.gz GIMXRTRFTNLNGU-GJZGRUSLSA-N 1 3 300.487 2.382 10 0 DEAEHO C[NH2+][C@H]1[C@H](CN(CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428311 193368485 /nfs/dbraw/zinc/36/84/85/193368485.db2.gz GIMXRTRFTNLNGU-GJZGRUSLSA-N 1 3 300.487 2.382 10 0 DEAEHO CCC[NH2+][C@@H]1[C@@H](CN(CCC)CCO)C(C)(C)OC1(C)C ZINC000094428444 193369066 /nfs/dbraw/zinc/36/90/66/193369066.db2.gz KDRUVYKKDIOFLY-HUUCEWRRSA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@@H]1[C@@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428444 193369067 /nfs/dbraw/zinc/36/90/67/193369067.db2.gz KDRUVYKKDIOFLY-HUUCEWRRSA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@@H]1[C@@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428444 193369069 /nfs/dbraw/zinc/36/90/69/193369069.db2.gz KDRUVYKKDIOFLY-HUUCEWRRSA-N 1 3 300.487 2.263 10 0 DEAEHO C[N@H+](Cc1ccc(Br)cc1)C1(CN)CCOCC1 ZINC000042439830 183269999 /nfs/dbraw/zinc/26/99/99/183269999.db2.gz QIYIUJGIURBHJE-UHFFFAOYSA-N 1 3 313.239 2.389 10 0 DEAEHO C[N@@H+](Cc1ccc(Br)cc1)C1(CN)CCOCC1 ZINC000042439830 183270000 /nfs/dbraw/zinc/27/00/00/183270000.db2.gz QIYIUJGIURBHJE-UHFFFAOYSA-N 1 3 313.239 2.389 10 0 DEAEHO C[N@H+](Cc1cccc(Br)c1)C1(CN)CCOCC1 ZINC000042440346 183270156 /nfs/dbraw/zinc/27/01/56/183270156.db2.gz UGJJCONYWYJQPJ-UHFFFAOYSA-N 1 3 313.239 2.389 10 0 DEAEHO C[N@@H+](Cc1cccc(Br)c1)C1(CN)CCOCC1 ZINC000042440346 183270157 /nfs/dbraw/zinc/27/01/57/183270157.db2.gz UGJJCONYWYJQPJ-UHFFFAOYSA-N 1 3 313.239 2.389 10 0 DEAEHO Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1CNC1CC1 ZINC000110275632 194318876 /nfs/dbraw/zinc/31/88/76/194318876.db2.gz DNVYNFKCRQPIIH-AWEZNQCLSA-N 1 3 306.479 2.378 10 0 DEAEHO CCCc1nc(N2CCC[N@@H+]3CCC[C@@H]3C2)sc1CNC ZINC000062942725 184262174 /nfs/dbraw/zinc/26/21/74/184262174.db2.gz YOKHONUOPBVMHE-CYBMUJFWSA-N 1 3 308.495 2.490 10 0 DEAEHO CCCc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)sc1CNC ZINC000062942725 184262175 /nfs/dbraw/zinc/26/21/75/184262175.db2.gz YOKHONUOPBVMHE-CYBMUJFWSA-N 1 3 308.495 2.490 10 0 DEAEHO C[NH+](C)[C@H]1CCN([C@@H](CN)c2ccccc2C(F)(F)F)C1 ZINC000062964749 184262932 /nfs/dbraw/zinc/26/29/32/184262932.db2.gz OAIFBEZGTFGTFK-FZMZJTMJSA-N 1 3 301.356 2.341 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000159291609 197343448 /nfs/dbraw/zinc/34/34/48/197343448.db2.gz GODCDFXQOZAMDT-ZDUSSCGKSA-N 1 3 307.335 2.338 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000176227090 285235954 /nfs/dbraw/zinc/23/59/54/285235954.db2.gz GRCHONBKMLJNFW-JKSUJKDBSA-N 1 3 312.502 2.088 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000176227090 285235958 /nfs/dbraw/zinc/23/59/58/285235958.db2.gz GRCHONBKMLJNFW-JKSUJKDBSA-N 1 3 312.502 2.088 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000247944531 145145848 /nfs/dbraw/zinc/14/58/48/145145848.db2.gz HEXOYWUAQAKEGI-LMMKCTJWSA-N 1 3 318.461 2.151 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000247944531 145145850 /nfs/dbraw/zinc/14/58/50/145145850.db2.gz HEXOYWUAQAKEGI-LMMKCTJWSA-N 1 3 318.461 2.151 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261549155 145206989 /nfs/dbraw/zinc/20/69/89/145206989.db2.gz OGTAHBCRDAIHPY-KZNAEPCWSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000261812359 145229262 /nfs/dbraw/zinc/22/92/62/145229262.db2.gz RXWMKVARIUPDDI-VDHUWJSZSA-N 1 3 315.461 2.141 10 0 DEAEHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834942 145232068 /nfs/dbraw/zinc/23/20/68/145232068.db2.gz ULJYLKLWMPPUOO-DZOHQFGASA-N 1 3 315.461 2.313 10 0 DEAEHO CC(C)C[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184717170 402294394 /nfs/dbraw/zinc/29/43/94/402294394.db2.gz QKVQYDZYPFUMPQ-HNNXBMFYSA-N 1 3 309.498 2.343 10 0 DEAEHO C(CCN1CCOCC1)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000158732101 402310936 /nfs/dbraw/zinc/31/09/36/402310936.db2.gz MZSUTCOHLUEZAZ-UHFFFAOYSA-N 1 3 323.525 2.486 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000186629448 402449274 /nfs/dbraw/zinc/44/92/74/402449274.db2.gz CXFBBAFTKWJXBI-IRXDYDNUSA-N 1 3 318.465 2.025 10 0 DEAEHO CCCCCNC(=O)[C@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178304810 402482502 /nfs/dbraw/zinc/48/25/02/402482502.db2.gz OUMOOTPGTFSMHG-GOEBONIOSA-N 1 3 306.454 2.351 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246756398 402544010 /nfs/dbraw/zinc/54/40/10/402544010.db2.gz MLTNJHLGHKGBDC-ZACQAIPSSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246756398 402544013 /nfs/dbraw/zinc/54/40/13/402544013.db2.gz MLTNJHLGHKGBDC-ZACQAIPSSA-N 1 3 322.497 2.129 10 0 DEAEHO CCC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000248406539 402589649 /nfs/dbraw/zinc/58/96/49/402589649.db2.gz SMJDCUYUQPQCCF-HLLBOEOZSA-N 1 3 309.498 2.486 10 0 DEAEHO CCC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000248406539 402589651 /nfs/dbraw/zinc/58/96/51/402589651.db2.gz SMJDCUYUQPQCCF-HLLBOEOZSA-N 1 3 309.498 2.486 10 0 DEAEHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)C12CCOCC2 ZINC000248922959 402614743 /nfs/dbraw/zinc/61/47/43/402614743.db2.gz FKIYGBLFBXTNSX-LUKYLMHMSA-N 1 3 310.482 2.423 10 0 DEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249774245 402641971 /nfs/dbraw/zinc/64/19/71/402641971.db2.gz VOUBRMHTYLJLEH-IAGOWNOFSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249774245 402641973 /nfs/dbraw/zinc/64/19/73/402641973.db2.gz VOUBRMHTYLJLEH-IAGOWNOFSA-N 1 3 318.465 2.073 10 0 DEAEHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000173669329 402707743 /nfs/dbraw/zinc/70/77/43/402707743.db2.gz UFCPMOALFPLLQL-DOTOQJQBSA-N 1 3 324.513 2.231 10 0 DEAEHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@H]3[C@H]3COCCN3)CC2)C1 ZINC000261841629 402718132 /nfs/dbraw/zinc/71/81/32/402718132.db2.gz ALSGZBGVWISSNO-CEXWTWQISA-N 1 3 321.509 2.140 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175668667 402824388 /nfs/dbraw/zinc/82/43/88/402824388.db2.gz BKPBCLGNDBDIST-MRXNPFEDSA-N 1 3 322.497 2.177 10 0 DEAEHO CN(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000362387897 403951584 /nfs/dbraw/zinc/95/15/84/403951584.db2.gz BZLSUFZQSKXMMT-SFHVURJKSA-N 1 3 317.477 2.007 10 0 DEAEHO C(CN1CC[C@@]2(C1)CCCOC2)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276778 404720883 /nfs/dbraw/zinc/72/08/83/404720883.db2.gz HOLSSGQZPVULED-RTBURBONSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CC[C@@]2(C1)CCCOC2)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276778 404720884 /nfs/dbraw/zinc/72/08/84/404720884.db2.gz HOLSSGQZPVULED-RTBURBONSA-N 1 3 322.493 2.382 10 0 DEAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000397496968 405058072 /nfs/dbraw/zinc/05/80/72/405058072.db2.gz FLFVYJBLVNRMGI-NVXWUHKLSA-N 1 3 320.502 2.497 10 0 DEAEHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000638852067 405714891 /nfs/dbraw/zinc/71/48/91/405714891.db2.gz VDKUMFMEIHMWIZ-QZTJIDSGSA-N 1 3 315.461 2.157 10 0 DEAEHO CC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851753 405715225 /nfs/dbraw/zinc/71/52/25/405715225.db2.gz RQKZHHQPHNPRRN-IAGOWNOFSA-N 1 3 303.450 2.285 10 0 DEAEHO CC[C@@H](N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851753 405715229 /nfs/dbraw/zinc/71/52/29/405715229.db2.gz RQKZHHQPHNPRRN-IAGOWNOFSA-N 1 3 303.450 2.285 10 0 DEAEHO NC[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1ccc2ccccc2c1 ZINC000634770713 406275925 /nfs/dbraw/zinc/27/59/25/406275925.db2.gz VIXRGRPTMUFXHO-BJLQDIEVSA-N 1 3 323.440 2.346 10 0 DEAEHO CCN(CC)CCC[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634949066 406364912 /nfs/dbraw/zinc/36/49/12/406364912.db2.gz GMFHGJLQLBCMGU-LSDHHAIUSA-N 1 3 304.500 2.054 10 0 DEAEHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972219 424917090 /nfs/dbraw/zinc/91/70/90/424917090.db2.gz CNKJLCPFIUTHKY-IWCVFHTOSA-N 1 3 315.461 2.141 10 0 DEAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398047016 269108034 /nfs/dbraw/zinc/10/80/34/269108034.db2.gz WDVTYVKTVFONIN-KCITZHQASA-N 1 3 301.478 2.485 10 0 DEAEHO [NH3+][C@@H](CC1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379659458 685393378 /nfs/dbraw/zinc/39/33/78/685393378.db2.gz ARYYMYQGYZXCJF-ROUUACIJSA-N 1 3 315.461 2.285 10 0 DEAEHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000713005418 792212476 /nfs/dbraw/zinc/21/24/76/792212476.db2.gz UAXYWJYZMXDZCX-IRXDYDNUSA-N 1 3 317.477 2.387 10 0 DEAEHO COC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716619998 792979111 /nfs/dbraw/zinc/97/91/11/792979111.db2.gz JYRDRCPQZVGXLK-ZSYWTGECSA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@@H](CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619998 792979121 /nfs/dbraw/zinc/97/91/21/792979121.db2.gz JYRDRCPQZVGXLK-ZSYWTGECSA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@@H](CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716619998 792979129 /nfs/dbraw/zinc/97/91/29/792979129.db2.gz JYRDRCPQZVGXLK-ZSYWTGECSA-N 1 3 318.461 2.291 10 0 DEAEHO CN[C@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438770 185296682 /nfs/dbraw/zinc/29/66/82/185296682.db2.gz DIENTRPRFSQUPT-JSGCOSHPSA-N 1 3 313.239 2.115 10 0 DEAEHO CN[C@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438770 185296683 /nfs/dbraw/zinc/29/66/83/185296683.db2.gz DIENTRPRFSQUPT-JSGCOSHPSA-N 1 3 313.239 2.115 10 0 DEAEHO COc1ccc2c(c1)[C@H](CN)N(CCCC[NH+]1CCCC1)C2 ZINC000071683127 191006837 /nfs/dbraw/zinc/00/68/37/191006837.db2.gz JRDKSXFPMIZVPS-SFHVURJKSA-N 1 3 303.450 2.387 10 0 DEAEHO CC[NH2+][C@H](Cc1ccccc1Cl)C[C@H]1CN(C)CCN1C ZINC000149684932 186052498 /nfs/dbraw/zinc/05/24/98/186052498.db2.gz ASTUJZHLYYNLOS-CVEARBPZSA-N 1 3 309.885 2.497 10 0 DEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cccc(Cl)n2)CC1 ZINC000173682353 198239956 /nfs/dbraw/zinc/23/99/56/198239956.db2.gz NLGCSTHPTPXAEU-CYBMUJFWSA-N 1 3 311.857 2.260 10 0 DEAEHO C[N@H+](CC[C@@H]1CNCCO1)Cc1cccc(Br)c1 ZINC000091313770 193038430 /nfs/dbraw/zinc/03/84/30/193038430.db2.gz PTILRAKHZCMFIW-CQSZACIVSA-N 1 3 313.239 2.259 10 0 DEAEHO C[N@@H+](CC[C@@H]1CNCCO1)Cc1cccc(Br)c1 ZINC000091313770 193038432 /nfs/dbraw/zinc/03/84/32/193038432.db2.gz PTILRAKHZCMFIW-CQSZACIVSA-N 1 3 313.239 2.259 10 0 DEAEHO CSC1(C[NH3+])CCN(Cc2nn(C)c3ccccc23)CC1 ZINC000091471506 193061612 /nfs/dbraw/zinc/06/16/12/193061612.db2.gz OHCQMUOSXXHBGL-UHFFFAOYSA-N 1 3 304.463 2.230 10 0 DEAEHO C[NH2+]CCOCCN(C)Cc1cccc(Br)c1 ZINC000629569733 367256335 /nfs/dbraw/zinc/25/63/35/367256335.db2.gz DZPZCGYYEZJILX-UHFFFAOYSA-N 1 3 301.228 2.117 10 0 DEAEHO CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC000094634617 193385867 /nfs/dbraw/zinc/38/58/67/193385867.db2.gz WPUZWSJQDOBVKI-HOTGVXAUSA-N 1 3 316.511 2.326 10 0 DEAEHO CS(=O)(=O)[C@H]1CCC[C@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC000094634617 193385869 /nfs/dbraw/zinc/38/58/69/193385869.db2.gz WPUZWSJQDOBVKI-HOTGVXAUSA-N 1 3 316.511 2.326 10 0 DEAEHO CC(C)[NH2+]CC1CCN([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644252 193389713 /nfs/dbraw/zinc/38/97/13/193389713.db2.gz BDHQJXWZOWCELT-JKSUJKDBSA-N 1 3 316.511 2.052 10 0 DEAEHO CCC[NH2+][C@@H]1[C@@H](CN(CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429263 193369187 /nfs/dbraw/zinc/36/91/87/193369187.db2.gz ORDQFFAOXYLHLO-HUUCEWRRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429263 193369189 /nfs/dbraw/zinc/36/91/89/193369189.db2.gz ORDQFFAOXYLHLO-HUUCEWRRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429263 193369190 /nfs/dbraw/zinc/36/91/90/193369190.db2.gz ORDQFFAOXYLHLO-HUUCEWRRSA-N 1 3 300.487 2.261 10 0 DEAEHO CC(C)C[N@H+](CCN(C)C)[C@@]1(CN)CSCC(C)(C)C1 ZINC000094489424 193373424 /nfs/dbraw/zinc/37/34/24/193373424.db2.gz NELNBYTXJFGQAY-INIZCTEOSA-N 1 3 301.544 2.367 10 0 DEAEHO CC(C)C[N@@H+](CCN(C)C)[C@@]1(CN)CSCC(C)(C)C1 ZINC000094489424 193373426 /nfs/dbraw/zinc/37/34/26/193373426.db2.gz NELNBYTXJFGQAY-INIZCTEOSA-N 1 3 301.544 2.367 10 0 DEAEHO CN1CCCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000020217645 182198186 /nfs/dbraw/zinc/19/81/86/182198186.db2.gz XNUYFHBSUXPQEK-AWEZNQCLSA-N 1 3 312.255 2.086 10 0 DEAEHO CN([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCN(C)CC1 ZINC000062709423 184248870 /nfs/dbraw/zinc/24/88/70/184248870.db2.gz PUJNUKLEXZLWAQ-CQSZACIVSA-N 1 3 301.356 2.130 10 0 DEAEHO O=C1O[C@H](CN2CCC(C[NH+]3CCCC3)CC2)CC12CCC2 ZINC000191943626 284965979 /nfs/dbraw/zinc/96/59/79/284965979.db2.gz PPJCYAICJFHAIC-INIZCTEOSA-N 1 3 306.450 2.280 10 0 DEAEHO Cc1cc(N2CCN(C(C)(C)C)CC2)c(C(N)=S)c(C)[nH+]1 ZINC000156633759 197129468 /nfs/dbraw/zinc/12/94/68/197129468.db2.gz WJIYUCXYFXFCMO-UHFFFAOYSA-N 1 3 306.479 2.253 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105174550 285230796 /nfs/dbraw/zinc/23/07/96/285230796.db2.gz BBKDFGDVBBBMQM-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245480577 132566133 /nfs/dbraw/zinc/56/61/33/132566133.db2.gz XLEDEDHAVDVVMZ-DLBZAZTESA-N 1 3 324.513 2.234 10 0 DEAEHO C[C@H]1CCC[C@](CNC(=O)CC2CCN(C)CC2)([NH+](C)C)C1 ZINC000362605754 133241263 /nfs/dbraw/zinc/24/12/63/133241263.db2.gz IIMSQWMJLZMZPI-YJBOKZPZSA-N 1 3 309.498 2.345 10 0 DEAEHO CN(C[C@]1(C)CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000261767711 145224218 /nfs/dbraw/zinc/22/42/18/145224218.db2.gz MBYFVUKKFYYYBH-LJQANCHMSA-N 1 3 316.493 2.020 10 0 DEAEHO CCN(C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960256 145247082 /nfs/dbraw/zinc/24/70/82/145247082.db2.gz HFFQQPNZQBWVQC-KGLIPLIRSA-N 1 3 307.404 2.192 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262121946 145263626 /nfs/dbraw/zinc/26/36/26/145263626.db2.gz IUJZDQAGMBEBFJ-HHARLNAUSA-N 1 3 307.482 2.144 10 0 DEAEHO NCc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073619 145322557 /nfs/dbraw/zinc/32/25/57/145322557.db2.gz ZZHBZKFKJITNBH-KOLCDFICSA-N 1 3 301.312 2.230 10 0 DEAEHO NCc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073616 145322564 /nfs/dbraw/zinc/32/25/64/145322564.db2.gz ZZHBZKFKJITNBH-GXSJLCMTSA-N 1 3 301.312 2.230 10 0 DEAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309711980 145350646 /nfs/dbraw/zinc/35/06/46/145350646.db2.gz JPUHYTYEZTXYNY-DLBZAZTESA-N 1 3 303.450 2.142 10 0 DEAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309711980 145350647 /nfs/dbraw/zinc/35/06/47/145350647.db2.gz JPUHYTYEZTXYNY-DLBZAZTESA-N 1 3 303.450 2.142 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079495472 401874372 /nfs/dbraw/zinc/87/43/72/401874372.db2.gz NWLYGWCHPZYLPX-INIZCTEOSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000048215933 401996046 /nfs/dbraw/zinc/99/60/46/401996046.db2.gz RRFYQRNKAXHZHU-DOTOQJQBSA-N 1 3 320.481 2.319 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000123244723 402117482 /nfs/dbraw/zinc/11/74/82/402117482.db2.gz YYUSDMJJOANNJV-RHSMWYFYSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000123244723 402117484 /nfs/dbraw/zinc/11/74/84/402117484.db2.gz YYUSDMJJOANNJV-RHSMWYFYSA-N 1 3 303.450 2.303 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000101668944 402153827 /nfs/dbraw/zinc/15/38/27/402153827.db2.gz NDCDGKJYQJMSDR-JYJNAYRXSA-N 1 3 309.498 2.486 10 0 DEAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC3(C)C)CC2)CC1 ZINC000102959722 402175576 /nfs/dbraw/zinc/17/55/76/402175576.db2.gz BGASUINBIDMMSL-UHFFFAOYSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000185188024 402332130 /nfs/dbraw/zinc/33/21/30/402332130.db2.gz KQJGEEVUOICQQM-HOTGVXAUSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246099626 402510127 /nfs/dbraw/zinc/51/01/27/402510127.db2.gz HCIVTRSFWWNORE-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246099626 402510129 /nfs/dbraw/zinc/51/01/29/402510129.db2.gz HCIVTRSFWWNORE-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245707942 402481484 /nfs/dbraw/zinc/48/14/84/402481484.db2.gz YWKJFKVVJPPIER-DLBZAZTESA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245707942 402481485 /nfs/dbraw/zinc/48/14/85/402481485.db2.gz YWKJFKVVJPPIER-DLBZAZTESA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCCN(CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245707942 402481487 /nfs/dbraw/zinc/48/14/87/402481487.db2.gz YWKJFKVVJPPIER-DLBZAZTESA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCCN(CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245707942 402481488 /nfs/dbraw/zinc/48/14/88/402481488.db2.gz YWKJFKVVJPPIER-DLBZAZTESA-N 1 3 305.470 2.091 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000246355598 402526636 /nfs/dbraw/zinc/52/66/36/402526636.db2.gz PNBCAHWLBVIXRB-WBVHZDCISA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@H](NCC1(C)OCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000190651305 402615927 /nfs/dbraw/zinc/61/59/27/402615927.db2.gz RGAJXBWYIAFTAO-HNNXBMFYSA-N 1 3 322.449 2.431 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249747789 402640263 /nfs/dbraw/zinc/64/02/63/402640263.db2.gz ACJTZDDCHAAZGK-CVEARBPZSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249747789 402640265 /nfs/dbraw/zinc/64/02/65/402640265.db2.gz ACJTZDDCHAAZGK-CVEARBPZSA-N 1 3 310.486 2.034 10 0 DEAEHO CCC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)N(C)C ZINC000182533695 402697913 /nfs/dbraw/zinc/69/79/13/402697913.db2.gz STMGEKXDADZKKP-NVXWUHKLSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000182533695 402697914 /nfs/dbraw/zinc/69/79/14/402697914.db2.gz STMGEKXDADZKKP-NVXWUHKLSA-N 1 3 305.466 2.353 10 0 DEAEHO CCN1CCN(c2ccccc2CN2CC[NH2+]C(C)(C)C2)CC1 ZINC000263278320 402753746 /nfs/dbraw/zinc/75/37/46/402753746.db2.gz ZDAZJDNVYQZBRN-UHFFFAOYSA-N 1 3 316.493 2.012 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N2CCCN(C3CC3)CC2)CC1 ZINC000194960811 402824376 /nfs/dbraw/zinc/82/43/76/402824376.db2.gz OTUIWZHSSIORDB-UHFFFAOYSA-N 1 3 322.497 2.131 10 0 DEAEHO CCNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348062505 404026244 /nfs/dbraw/zinc/02/62/44/404026244.db2.gz KLNCWIJMSQVDAL-MIGBEJBISA-N 1 3 315.461 2.296 10 0 DEAEHO c1cnn(C2CC([NH2+]CC3CCN(c4ccncc4)CC3)C2)c1 ZINC000638836041 405703599 /nfs/dbraw/zinc/70/35/99/405703599.db2.gz BJAAGKCWCIPVFA-UHFFFAOYSA-N 1 3 311.433 2.488 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000634724286 406248649 /nfs/dbraw/zinc/24/86/49/406248649.db2.gz NIFKNXAJBWHOMZ-BHIYHBOVSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724286 406248651 /nfs/dbraw/zinc/24/86/51/406248651.db2.gz NIFKNXAJBWHOMZ-BHIYHBOVSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724286 406248654 /nfs/dbraw/zinc/24/86/54/406248654.db2.gz NIFKNXAJBWHOMZ-BHIYHBOVSA-N 1 3 320.477 2.130 10 0 DEAEHO CCN(CC)CCC[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634949064 406365037 /nfs/dbraw/zinc/36/50/37/406365037.db2.gz GMFHGJLQLBCMGU-GJZGRUSLSA-N 1 3 304.500 2.054 10 0 DEAEHO CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000390738390 424917385 /nfs/dbraw/zinc/91/73/85/424917385.db2.gz ABFNJWFYVACBFM-INIZCTEOSA-N 1 3 303.450 2.237 10 0 DEAEHO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309924346 424894133 /nfs/dbraw/zinc/89/41/33/424894133.db2.gz WYHUKGWNEWIAQF-QZTJIDSGSA-N 1 3 315.461 2.014 10 0 DEAEHO CN(CC[N@H+](C)C1CCCCC1)C(=O)CC1CCN(C)CC1 ZINC000362738036 269050411 /nfs/dbraw/zinc/05/04/11/269050411.db2.gz SBJDKBBLODZSOA-UHFFFAOYSA-N 1 3 309.498 2.441 10 0 DEAEHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC1CCN(C)CC1 ZINC000362738036 269050412 /nfs/dbraw/zinc/05/04/12/269050412.db2.gz SBJDKBBLODZSOA-UHFFFAOYSA-N 1 3 309.498 2.441 10 0 DEAEHO c1ccc(COCCOCCC[NH2+][C@H]2CCCNCC2)cc1 ZINC000390581479 269098156 /nfs/dbraw/zinc/09/81/56/269098156.db2.gz PMRUYYHEVQZREK-SFHVURJKSA-N 1 3 306.450 2.342 10 0 DEAEHO CO[C@@H](C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495802 269106831 /nfs/dbraw/zinc/10/68/31/269106831.db2.gz PZAWFJSIIIYQCG-HOTGVXAUSA-N 1 3 306.450 2.027 10 0 DEAEHO COC(C)(C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397663279 269106973 /nfs/dbraw/zinc/10/69/73/269106973.db2.gz DWQULHJRWLEBLP-MRXNPFEDSA-N 1 3 320.477 2.417 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826742 279272617 /nfs/dbraw/zinc/27/26/17/279272617.db2.gz IWETUZZISRCTLA-JKSUJKDBSA-N 1 3 312.502 2.136 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261560370 279283164 /nfs/dbraw/zinc/28/31/64/279283164.db2.gz ZUGAVJCSOVIWDT-HYVNUMGLSA-N 1 3 303.450 2.141 10 0 DEAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000077644739 281054651 /nfs/dbraw/zinc/05/46/51/281054651.db2.gz FKSJISHPUMNZAZ-INIZCTEOSA-N 1 3 322.497 2.131 10 0 DEAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000077644739 281054653 /nfs/dbraw/zinc/05/46/53/281054653.db2.gz FKSJISHPUMNZAZ-INIZCTEOSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H](CN1CCCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121791995 281762122 /nfs/dbraw/zinc/76/21/22/281762122.db2.gz ADIVRUWBEKOYOM-KLAILNCOSA-N 1 3 324.513 2.280 10 0 DEAEHO CN(C(=O)[C@]1(C)CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000393945911 337098757 /nfs/dbraw/zinc/09/87/57/337098757.db2.gz FSILUZHYMNZUIE-IBGZPJMESA-N 1 3 315.461 2.252 10 0 DEAEHO CCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261783624 535668872 /nfs/dbraw/zinc/66/88/72/535668872.db2.gz BOEMMJLWFXWMBU-YQQAZPJKSA-N 1 3 303.450 2.408 10 0 DEAEHO CCC[C@](C)([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309738538 625548626 /nfs/dbraw/zinc/54/86/26/625548626.db2.gz VDAOSVVSDRHDJX-AEFFLSMTSA-N 1 3 303.450 2.237 10 0 DEAEHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000713040410 792211513 /nfs/dbraw/zinc/21/15/13/792211513.db2.gz FTIAYZPMTTXYSH-MRXNPFEDSA-N 1 3 305.466 2.244 10 0 DEAEHO COC[C@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620178 792978755 /nfs/dbraw/zinc/97/87/55/792978755.db2.gz LNHVSFNVXGAUHL-CADBVGFASA-N 1 3 318.461 2.027 10 0 DEAEHO CC(=O)NCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693664 793001420 /nfs/dbraw/zinc/00/14/20/793001420.db2.gz PUIUEIJNXABYOE-OTWHNJEPSA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136666033 282089298 /nfs/dbraw/zinc/08/92/98/282089298.db2.gz MDPJIHZHYADDKF-GTPINHCMSA-N 1 3 324.513 2.280 10 0 DEAEHO C[NH+](C)CCN1CCN(C[C@H]2CSc3ccccc32)CC1 ZINC000092663045 185332697 /nfs/dbraw/zinc/33/26/97/185332697.db2.gz XGOFIAUBTHPPFT-HNNXBMFYSA-N 1 3 305.491 2.055 10 0 DEAEHO C[NH2+][C@H](C[C@H]1CN(C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149573200 186050848 /nfs/dbraw/zinc/05/08/48/186050848.db2.gz VEPAZTZUGDKJFR-DZGCQCFKSA-N 1 3 311.857 2.245 10 0 DEAEHO CN(C)CCn1ncc(Cl)c1[C@@](C)(F)[C@H]1CCC[NH2+]C1 ZINC000164005683 186145316 /nfs/dbraw/zinc/14/53/16/186145316.db2.gz CGASUWKOMPSOGR-FZMZJTMJSA-N 1 3 302.825 2.282 10 0 DEAEHO CC[C@@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173682685 198240160 /nfs/dbraw/zinc/24/01/60/198240160.db2.gz BGWHMOJPYJAPDJ-RTBURBONSA-N 1 3 320.477 2.135 10 0 DEAEHO CC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173682685 198240162 /nfs/dbraw/zinc/24/01/62/198240162.db2.gz BGWHMOJPYJAPDJ-RTBURBONSA-N 1 3 320.477 2.135 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382730905 540123432 /nfs/dbraw/zinc/12/34/32/540123432.db2.gz BANYIKHONHKCKN-AEFFLSMTSA-N 1 3 317.477 2.483 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000121447313 355796140 /nfs/dbraw/zinc/79/61/40/355796140.db2.gz UOJHLTGIKRIYLI-SUMDDJOVSA-N 1 3 315.461 2.298 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262666659 356343568 /nfs/dbraw/zinc/34/35/68/356343568.db2.gz KHDMYCQSUSUALX-VQHPVUNQSA-N 1 3 307.482 2.288 10 0 DEAEHO OC1(C[NH2+]CC[C@@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000400610551 283158214 /nfs/dbraw/zinc/15/82/14/283158214.db2.gz HGOOYZPRZJATDG-GOSISDBHSA-N 1 3 318.461 2.030 10 0 DEAEHO CCC[NH2+][C@H]1[C@@H](CN(CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429264 193368317 /nfs/dbraw/zinc/36/83/17/193368317.db2.gz ORDQFFAOXYLHLO-CABCVRRESA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429264 193368318 /nfs/dbraw/zinc/36/83/18/193368318.db2.gz ORDQFFAOXYLHLO-CABCVRRESA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429264 193368320 /nfs/dbraw/zinc/36/83/20/193368320.db2.gz ORDQFFAOXYLHLO-CABCVRRESA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@@H]1[C@@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430085 193368838 /nfs/dbraw/zinc/36/88/38/193368838.db2.gz HKAUMPAKDNSOKI-ZIAGYGMSSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@@H]1[C@@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430085 193368840 /nfs/dbraw/zinc/36/88/40/193368840.db2.gz HKAUMPAKDNSOKI-ZIAGYGMSSA-N 1 3 300.487 2.261 10 0 DEAEHO CC(C)C[N@H+](CCN(C)C)[C@@]1(CN)CSCCC1(C)C ZINC000094484198 193372747 /nfs/dbraw/zinc/37/27/47/193372747.db2.gz ZLULJMDAAOXQNK-INIZCTEOSA-N 1 3 301.544 2.367 10 0 DEAEHO CC(C)C[N@@H+](CCN(C)C)[C@@]1(CN)CSCCC1(C)C ZINC000094484198 193372749 /nfs/dbraw/zinc/37/27/49/193372749.db2.gz ZLULJMDAAOXQNK-INIZCTEOSA-N 1 3 301.544 2.367 10 0 DEAEHO C[NH2+]Cc1cc(Br)c(OCCN(C)C)c(OC)c1 ZINC000019777052 182147826 /nfs/dbraw/zinc/14/78/26/182147826.db2.gz AHDAAQDIAJGTGX-UHFFFAOYSA-N 1 3 317.227 2.118 10 0 DEAEHO C[NH2+]Cc1ccc(Br)cc1N(C)CCN(C)C ZINC000111140269 194394309 /nfs/dbraw/zinc/39/43/09/194394309.db2.gz LZGRSGDOFGSVSA-UHFFFAOYSA-N 1 3 300.244 2.166 10 0 DEAEHO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCN(C)C ZINC000111129973 194393260 /nfs/dbraw/zinc/39/32/60/194393260.db2.gz SWJYJCLVRISXRB-RISCZKNCSA-N 1 3 314.271 2.331 10 0 DEAEHO CN[C@H](CC[C@H]1CCCO1)c1c(Cl)cnn1CC[NH+](C)C ZINC000125542865 195760970 /nfs/dbraw/zinc/76/09/70/195760970.db2.gz TUUOBRVMXWYPIU-TZMCWYRMSA-N 1 3 314.861 2.318 10 0 DEAEHO C[C@H]1CCC[C@@](CNC(=O)CC2CCN(C)CC2)([NH+](C)C)C1 ZINC000362605752 133241655 /nfs/dbraw/zinc/24/16/55/133241655.db2.gz IIMSQWMJLZMZPI-MAUKXSAKSA-N 1 3 309.498 2.345 10 0 DEAEHO C[N@H+](CCCNC(=O)N1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000247218975 145129551 /nfs/dbraw/zinc/12/95/51/145129551.db2.gz BNZLDFOBCPWHEG-KRWDZBQOSA-N 1 3 322.497 2.131 10 0 DEAEHO C[N@@H+](CCCNC(=O)N1CCN2CCC[C@H]2C1)C1CCCCC1 ZINC000247218975 145129553 /nfs/dbraw/zinc/12/95/53/145129553.db2.gz BNZLDFOBCPWHEG-KRWDZBQOSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248828799 145169046 /nfs/dbraw/zinc/16/90/46/145169046.db2.gz APXBVRKYRCBVTB-UXLLHSPISA-N 1 3 303.450 2.283 10 0 DEAEHO C[C@@]1(CN2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]C1 ZINC000261719962 145219658 /nfs/dbraw/zinc/21/96/58/145219658.db2.gz FSLUKQNFMLFICV-GOSISDBHSA-N 1 3 302.466 2.398 10 0 DEAEHO O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261805742 145228035 /nfs/dbraw/zinc/22/80/35/145228035.db2.gz HIMKKMUELKYRPX-HZPDHXFCSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261805742 145228036 /nfs/dbraw/zinc/22/80/36/145228036.db2.gz HIMKKMUELKYRPX-HZPDHXFCSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261805742 145228038 /nfs/dbraw/zinc/22/80/38/145228038.db2.gz HIMKKMUELKYRPX-HZPDHXFCSA-N 1 3 301.434 2.337 10 0 DEAEHO CCN(CC)C(=O)CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261914129 145241238 /nfs/dbraw/zinc/24/12/38/145241238.db2.gz YYLNSTWBPVCEQZ-SFHVURJKSA-N 1 3 309.498 2.347 10 0 DEAEHO CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000123468873 402129319 /nfs/dbraw/zinc/12/93/19/402129319.db2.gz YEHTWCUMEPPRAF-BBWFWOEESA-N 1 3 324.513 2.135 10 0 DEAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000123468873 402129322 /nfs/dbraw/zinc/12/93/22/402129322.db2.gz YEHTWCUMEPPRAF-BBWFWOEESA-N 1 3 324.513 2.135 10 0 DEAEHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(C)CCC3)CC2)CC1 ZINC000176648681 402326250 /nfs/dbraw/zinc/32/62/50/402326250.db2.gz CCAJIKICPJGHCF-UHFFFAOYSA-N 1 3 322.497 2.034 10 0 DEAEHO C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)N(C)Cc1ccccc1 ZINC000168753643 402498663 /nfs/dbraw/zinc/49/86/63/402498663.db2.gz JYBAANUYJYEURA-OAHLLOKOSA-N 1 3 311.429 2.396 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246721395 402542203 /nfs/dbraw/zinc/54/22/03/402542203.db2.gz YSJAVPPKEXXTBQ-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246721395 402542206 /nfs/dbraw/zinc/54/22/06/402542206.db2.gz YSJAVPPKEXXTBQ-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246962879 402551548 /nfs/dbraw/zinc/55/15/48/402551548.db2.gz JWLBDBMIPHLSKL-LSDHHAIUSA-N 1 3 312.502 2.136 10 0 DEAEHO C[C@@H](NCC1(C)OCCCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000190651322 402615982 /nfs/dbraw/zinc/61/59/82/402615982.db2.gz RGAJXBWYIAFTAO-OAHLLOKOSA-N 1 3 322.449 2.431 10 0 DEAEHO CO[C@@H]1CN(C/C=C/C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251931118 402651569 /nfs/dbraw/zinc/65/15/69/402651569.db2.gz TXEKBEJYXOVQTQ-YWLVWCMISA-N 1 3 310.482 2.256 10 0 DEAEHO CO[C@@H]1CN(C/C=C/C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251931118 402651573 /nfs/dbraw/zinc/65/15/73/402651573.db2.gz TXEKBEJYXOVQTQ-YWLVWCMISA-N 1 3 310.482 2.256 10 0 DEAEHO Clc1ccccc1CN1CCC(CNC2=[NH+]CCCN2)CC1 ZINC000263152813 402745423 /nfs/dbraw/zinc/74/54/23/402745423.db2.gz MFIJAXHUAWSZKK-UHFFFAOYSA-N 1 3 320.868 2.491 10 0 DEAEHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000397496966 405059030 /nfs/dbraw/zinc/05/90/30/405059030.db2.gz FLFVYJBLVNRMGI-DOTOQJQBSA-N 1 3 320.502 2.497 10 0 DEAEHO [NH3+]CCCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851524 405715738 /nfs/dbraw/zinc/71/57/38/405715738.db2.gz NPFQIAQXIGLKIM-KRWDZBQOSA-N 1 3 303.450 2.286 10 0 DEAEHO c1cc(CN2CCC(C[NH2+]CCC[C@H]3CCO3)CC2)ccn1 ZINC000639311311 406037276 /nfs/dbraw/zinc/03/72/76/406037276.db2.gz LDOHRLFHBWEKPP-SFHVURJKSA-N 1 3 303.450 2.452 10 0 DEAEHO CC(C)(C)OCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700764 406232010 /nfs/dbraw/zinc/23/20/10/406232010.db2.gz FHULQIFVPSWCAK-SFHVURJKSA-N 1 3 306.450 2.028 10 0 DEAEHO CC(C)(C)OCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700764 406232011 /nfs/dbraw/zinc/23/20/11/406232011.db2.gz FHULQIFVPSWCAK-SFHVURJKSA-N 1 3 306.450 2.028 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118546 406579564 /nfs/dbraw/zinc/57/95/64/406579564.db2.gz AKHSFJKQKXDBTQ-QAPCUYQASA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638119776 406580189 /nfs/dbraw/zinc/58/01/89/406580189.db2.gz VTAQFYFIKLUILD-ZTFGCOKTSA-N 1 3 313.445 2.061 10 0 DEAEHO CCC(CC)(C[NH2+]C(C)C)CN1CCC(OCCO)CC1 ZINC000129426702 196047363 /nfs/dbraw/zinc/04/73/63/196047363.db2.gz PASUAULDQVXXAL-UHFFFAOYSA-N 1 3 300.487 2.264 10 0 DEAEHO CN1CCC[C@@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000134375968 196383758 /nfs/dbraw/zinc/38/37/58/196383758.db2.gz RJMWKASHQMHXDZ-CQSZACIVSA-N 1 3 323.238 2.048 10 0 DEAEHO C[C@@H](CC(N)=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192835 269303379 /nfs/dbraw/zinc/30/33/79/269303379.db2.gz QNHKSXXYTYAHFG-LLLHUVSDSA-N 1 3 301.434 2.036 10 0 DEAEHO C[C@@H](CC(N)=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192835 269303380 /nfs/dbraw/zinc/30/33/80/269303380.db2.gz QNHKSXXYTYAHFG-LLLHUVSDSA-N 1 3 301.434 2.036 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175385636 279309426 /nfs/dbraw/zinc/30/94/26/279309426.db2.gz UAPZPGXDSFUHFU-QGZVFWFLSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000175385636 279309428 /nfs/dbraw/zinc/30/94/28/279309428.db2.gz UAPZPGXDSFUHFU-QGZVFWFLSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175364680 279309984 /nfs/dbraw/zinc/30/99/84/279309984.db2.gz DTGIJHDXPMPGTF-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000157340712 521850261 /nfs/dbraw/zinc/85/02/61/521850261.db2.gz BGZGGPVAGSCPBW-KRWDZBQOSA-N 1 3 303.450 2.239 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281084 528221531 /nfs/dbraw/zinc/22/15/31/528221531.db2.gz KWUVHZUJOBUMAC-KBAYOESNSA-N 1 3 319.493 2.336 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448281084 528221534 /nfs/dbraw/zinc/22/15/34/528221534.db2.gz KWUVHZUJOBUMAC-KBAYOESNSA-N 1 3 319.493 2.336 10 0 DEAEHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCCC2)C12CCOCC2 ZINC000249025515 535407187 /nfs/dbraw/zinc/40/71/87/535407187.db2.gz RLKOKSXXTOBOFH-GVDBMIGSSA-N 1 3 310.482 2.282 10 0 DEAEHO CCN(C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960254 535771011 /nfs/dbraw/zinc/77/10/11/535771011.db2.gz HFFQQPNZQBWVQC-KBPBESRZSA-N 1 3 307.404 2.192 10 0 DEAEHO CN1CCC(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000362564038 536126652 /nfs/dbraw/zinc/12/66/52/536126652.db2.gz GMSXBLAHRPNXRK-KRWDZBQOSA-N 1 3 309.498 2.345 10 0 DEAEHO C[NH+](C)C1CCC(NCc2nc(Br)c[nH]2)CC1 ZINC000715508737 792471071 /nfs/dbraw/zinc/47/10/71/792471071.db2.gz KXMQHRKIQFQCMI-UHFFFAOYSA-N 1 3 301.232 2.135 10 0 DEAEHO COC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677600 792984270 /nfs/dbraw/zinc/98/42/70/792984270.db2.gz GPPNEXQFSVDBHP-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO COC1(OC)CC[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000710968392 1086692338 /nfs/dbraw/zinc/69/23/38/1086692338.db2.gz SWRJQSGYDACMKW-DLBZAZTESA-N 1 3 304.434 2.250 10 0 DEAEHO CC(C)N1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710973723 1086692356 /nfs/dbraw/zinc/69/23/56/1086692356.db2.gz RCWUCLPZXPWSSQ-AWEZNQCLSA-N 1 3 311.470 2.173 10 0 DEAEHO CN(C)CCN[C@H](C[NH3+])c1cc(Cl)ccc1Br ZINC000090251830 185288122 /nfs/dbraw/zinc/28/81/22/185288122.db2.gz LYIHSEIMSCSHJK-GFCCVEGCSA-N 1 3 320.662 2.254 10 0 DEAEHO CCNCc1c(N(C)C[C@H]2CCC[N@@H+]2C)nc2sccn12 ZINC000092633005 185330328 /nfs/dbraw/zinc/33/03/28/185330328.db2.gz AXCJUAPAZLPFHQ-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CCNCc1c(N(C)C[C@H]2CCC[N@H+]2C)nc2sccn12 ZINC000092633005 185330329 /nfs/dbraw/zinc/33/03/29/185330329.db2.gz AXCJUAPAZLPFHQ-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855492 282262753 /nfs/dbraw/zinc/26/27/53/282262753.db2.gz HVMBEFWYHAZBJH-MSOLQXFVSA-N 1 3 315.461 2.061 10 0 DEAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855492 282262754 /nfs/dbraw/zinc/26/27/54/282262754.db2.gz HVMBEFWYHAZBJH-MSOLQXFVSA-N 1 3 315.461 2.061 10 0 DEAEHO CN(C)CCC[N@H+](C)Cc1cc(N)cc(Br)c1 ZINC000148066854 186043397 /nfs/dbraw/zinc/04/33/97/186043397.db2.gz WGIIYJQXPMAGHS-UHFFFAOYSA-N 1 3 300.244 2.415 10 0 DEAEHO CN(C)CCC[N@@H+](C)Cc1cc(N)cc(Br)c1 ZINC000148066854 186043399 /nfs/dbraw/zinc/04/33/99/186043399.db2.gz WGIIYJQXPMAGHS-UHFFFAOYSA-N 1 3 300.244 2.415 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309730799 539878658 /nfs/dbraw/zinc/87/86/58/539878658.db2.gz OZRONCHGRXLOMA-RDJZCZTQSA-N 1 3 303.450 2.013 10 0 DEAEHO CCCN1CCN(c2ccccc2CN2CC[NH2+][C@@H](C)C2)CC1 ZINC000092454942 355634111 /nfs/dbraw/zinc/63/41/11/355634111.db2.gz AVDXLAXBJNXENE-KRWDZBQOSA-N 1 3 316.493 2.012 10 0 DEAEHO C[N@H+](CC[C@H]1CNCCO1)Cc1ccc(Br)cc1 ZINC000091313768 193038779 /nfs/dbraw/zinc/03/87/79/193038779.db2.gz JCQJCHQVZPIGOC-AWEZNQCLSA-N 1 3 313.239 2.259 10 0 DEAEHO C[N@@H+](CC[C@H]1CNCCO1)Cc1ccc(Br)cc1 ZINC000091313768 193038782 /nfs/dbraw/zinc/03/87/82/193038782.db2.gz JCQJCHQVZPIGOC-AWEZNQCLSA-N 1 3 313.239 2.259 10 0 DEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(SC)cc1 ZINC000093382265 193240445 /nfs/dbraw/zinc/24/04/45/193240445.db2.gz GLEJEHUKPWSLEZ-OAHLLOKOSA-N 1 3 306.479 2.422 10 0 DEAEHO CC(C)C[NH2+]Cc1c(N(C)CCN(C)C)nc2sccn12 ZINC000111140297 194394432 /nfs/dbraw/zinc/39/44/32/194394432.db2.gz AAZCFHBHYZDUMH-UHFFFAOYSA-N 1 3 309.483 2.139 10 0 DEAEHO NNc1ccc(Cl)c(CN2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000062969629 184263700 /nfs/dbraw/zinc/26/37/00/184263700.db2.gz AVNWUCXKLZGWNK-LBPRGKRZSA-N 1 3 309.845 2.081 10 0 DEAEHO C[C@@H](CCN1CCN(c2nccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156267195 197100055 /nfs/dbraw/zinc/10/00/55/197100055.db2.gz XHJDWESKVDXGID-LSDHHAIUSA-N 1 3 308.495 2.291 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000245462681 285236530 /nfs/dbraw/zinc/23/65/30/285236530.db2.gz GRCHONBKMLJNFW-HZPDHXFCSA-N 1 3 312.502 2.088 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000245462681 285236531 /nfs/dbraw/zinc/23/65/31/285236531.db2.gz GRCHONBKMLJNFW-HZPDHXFCSA-N 1 3 312.502 2.088 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@H](C)C1 ZINC000360416881 133181020 /nfs/dbraw/zinc/18/10/20/133181020.db2.gz NEUJDBTXWAEBPA-SQNIBIBYSA-N 1 3 311.514 2.055 10 0 DEAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000246951101 145120290 /nfs/dbraw/zinc/12/02/90/145120290.db2.gz DCIRCPMFZXKLSU-HOTGVXAUSA-N 1 3 310.486 2.034 10 0 DEAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000246951101 145120293 /nfs/dbraw/zinc/12/02/93/145120293.db2.gz DCIRCPMFZXKLSU-HOTGVXAUSA-N 1 3 310.486 2.034 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000247319983 145133669 /nfs/dbraw/zinc/13/36/69/145133669.db2.gz LBMXIXOWOSJUAK-DJIMGWMZSA-N 1 3 324.440 2.118 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000247319983 145133670 /nfs/dbraw/zinc/13/36/70/145133670.db2.gz LBMXIXOWOSJUAK-DJIMGWMZSA-N 1 3 324.440 2.118 10 0 DEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000247401410 145135785 /nfs/dbraw/zinc/13/57/85/145135785.db2.gz RCDGLULTMGDLGJ-WMLDXEAASA-N 1 3 303.450 2.207 10 0 DEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000247401410 145135787 /nfs/dbraw/zinc/13/57/87/145135787.db2.gz RCDGLULTMGDLGJ-WMLDXEAASA-N 1 3 303.450 2.207 10 0 DEAEHO C[NH2+]CCC1CCN(CCOCCOc2ccccc2)CC1 ZINC000261986786 145250483 /nfs/dbraw/zinc/25/04/83/145250483.db2.gz KFZFGAXWQWIRGT-UHFFFAOYSA-N 1 3 306.450 2.404 10 0 DEAEHO C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000262433120 145283516 /nfs/dbraw/zinc/28/35/16/145283516.db2.gz RXSVGMHVSRKAGW-RDJZCZTQSA-N 1 3 315.461 2.155 10 0 DEAEHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000358430349 147132745 /nfs/dbraw/zinc/13/27/45/147132745.db2.gz GYYUHHBOABTXMX-IPQPSQTFSA-N 1 3 318.461 2.433 10 0 DEAEHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000358430349 147132747 /nfs/dbraw/zinc/13/27/47/147132747.db2.gz GYYUHHBOABTXMX-IPQPSQTFSA-N 1 3 318.461 2.433 10 0 DEAEHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763215 148053634 /nfs/dbraw/zinc/05/36/34/148053634.db2.gz HBLJMKFFOJRCMX-RCCFBDPRSA-N 1 3 315.461 2.142 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000129154499 401799510 /nfs/dbraw/zinc/79/95/10/401799510.db2.gz OYCDWPUIIJKQBS-IRXDYDNUSA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000129154499 401799514 /nfs/dbraw/zinc/79/95/14/401799514.db2.gz OYCDWPUIIJKQBS-IRXDYDNUSA-N 1 3 324.513 2.138 10 0 DEAEHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000113600767 401783342 /nfs/dbraw/zinc/78/33/42/401783342.db2.gz DCIRCPMFZXKLSU-CVEARBPZSA-N 1 3 310.486 2.034 10 0 DEAEHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000113600767 401783345 /nfs/dbraw/zinc/78/33/45/401783345.db2.gz DCIRCPMFZXKLSU-CVEARBPZSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN(CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CC1 ZINC000107843718 402241805 /nfs/dbraw/zinc/24/18/05/402241805.db2.gz QSDBCKAURUPICC-QGZVFWFLSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553909 402536360 /nfs/dbraw/zinc/53/63/60/402536360.db2.gz YSTNGUSBCVTXCM-VQHPVUNQSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553909 402536364 /nfs/dbraw/zinc/53/63/64/402536364.db2.gz YSTNGUSBCVTXCM-VQHPVUNQSA-N 1 3 324.513 2.231 10 0 DEAEHO CN(C)Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171807574 402623980 /nfs/dbraw/zinc/62/39/80/402623980.db2.gz XNMIZGJDUPERRB-MRXNPFEDSA-N 1 3 302.422 2.060 10 0 DEAEHO CN(C)Cc1cccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171807574 402623984 /nfs/dbraw/zinc/62/39/84/402623984.db2.gz XNMIZGJDUPERRB-MRXNPFEDSA-N 1 3 302.422 2.060 10 0 DEAEHO COCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569892 402700548 /nfs/dbraw/zinc/70/05/48/402700548.db2.gz CDBKMIPCOPYKHE-JWTNVVGKSA-N 1 3 309.498 2.046 10 0 DEAEHO COCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569892 402700551 /nfs/dbraw/zinc/70/05/51/402700551.db2.gz CDBKMIPCOPYKHE-JWTNVVGKSA-N 1 3 309.498 2.046 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CC)C2)CC1 ZINC000194960061 402824513 /nfs/dbraw/zinc/82/45/13/402824513.db2.gz UARUWUSRMQAZMY-MRXNPFEDSA-N 1 3 310.486 2.034 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N(C)Cc1ccccc1 ZINC000377571363 404839852 /nfs/dbraw/zinc/83/98/52/404839852.db2.gz KCDZGPRNICMHSE-BFYDXBDKSA-N 1 3 303.450 2.011 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390750920 424917836 /nfs/dbraw/zinc/91/78/36/424917836.db2.gz SIIXPVXWJJQBFX-SJORKVTESA-N 1 3 303.450 2.141 10 0 DEAEHO CN(C(=O)C[C@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000190153468 281750028 /nfs/dbraw/zinc/75/00/28/281750028.db2.gz JZJWIQSIKZREDF-QGZVFWFLSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261547906 648428305 /nfs/dbraw/zinc/42/83/05/648428305.db2.gz MTVIRHDNXHLMLW-WBVHZDCISA-N 1 3 317.477 2.401 10 0 DEAEHO COC(OC)[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381757094 685402307 /nfs/dbraw/zinc/40/23/07/685402307.db2.gz GTONBNPIIOTJRC-HLLBOEOZSA-N 1 3 306.450 2.494 10 0 DEAEHO O[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638677 792981851 /nfs/dbraw/zinc/98/18/51/792981851.db2.gz PUYHTDDGTYRZBK-OYSTVDSJSA-N 1 3 300.446 2.400 10 0 DEAEHO NC[C@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000087915086 185237465 /nfs/dbraw/zinc/23/74/65/185237465.db2.gz RBYNBEFMHJROJJ-CQSZACIVSA-N 1 3 310.239 2.427 10 0 DEAEHO NC[C@]1(Nc2cccc(Br)c2)CC[N@H+](C2CC2)C1 ZINC000087915086 185237466 /nfs/dbraw/zinc/23/74/66/185237466.db2.gz RBYNBEFMHJROJJ-CQSZACIVSA-N 1 3 310.239 2.427 10 0 DEAEHO C[C@H](NC[C@H](O)COC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661776 356208884 /nfs/dbraw/zinc/20/88/84/356208884.db2.gz JFKNBGKIDGOUHU-UXLLHSPISA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H](NC[C@H](O)COC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661776 356208889 /nfs/dbraw/zinc/20/88/89/356208889.db2.gz JFKNBGKIDGOUHU-UXLLHSPISA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185661776 356208892 /nfs/dbraw/zinc/20/88/92/356208892.db2.gz JFKNBGKIDGOUHU-UXLLHSPISA-N 1 3 312.498 2.405 10 0 DEAEHO CN(CCCNC(=O)C[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000309536883 356410297 /nfs/dbraw/zinc/41/02/97/356410297.db2.gz IREPTVFCRVHZAA-QGZVFWFLSA-N 1 3 303.450 2.014 10 0 DEAEHO COc1ccc(Cl)cc1C[C@H](N)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720254 193096601 /nfs/dbraw/zinc/09/66/01/193096601.db2.gz YTPZWOCGMVCIEA-YCPHGPKFSA-N 1 3 310.825 2.082 10 0 DEAEHO COc1ccc(Cl)cc1C[C@H](N)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720254 193096603 /nfs/dbraw/zinc/09/66/03/193096603.db2.gz YTPZWOCGMVCIEA-YCPHGPKFSA-N 1 3 310.825 2.082 10 0 DEAEHO C[C@H]1CN(CCOc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631844272 368420209 /nfs/dbraw/zinc/42/02/09/368420209.db2.gz WDHIKHNDPWZWOL-RYUDHWBXSA-N 1 3 313.239 2.355 10 0 DEAEHO CCCN[C@@]1(CO)CC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857098 193319849 /nfs/dbraw/zinc/31/98/49/193319849.db2.gz ZYICVWIUZJKNEX-SJORKVTESA-N 1 3 300.487 2.407 10 0 DEAEHO CCCN[C@@]1(CO)CC[C@@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857098 193319852 /nfs/dbraw/zinc/31/98/52/193319852.db2.gz ZYICVWIUZJKNEX-SJORKVTESA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+][C@@]1(CO)CC[C@@H](N(CCOC)C(CC)CC)C1 ZINC000093857098 193319854 /nfs/dbraw/zinc/31/98/54/193319854.db2.gz ZYICVWIUZJKNEX-SJORKVTESA-N 1 3 300.487 2.407 10 0 DEAEHO CC(C)N(C)CCCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635753 193385844 /nfs/dbraw/zinc/38/58/44/193385844.db2.gz NSXKJSYDRMDLGX-GJZGRUSLSA-N 1 3 304.500 2.052 10 0 DEAEHO CCOCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915712 194169256 /nfs/dbraw/zinc/16/92/56/194169256.db2.gz KHKHQNVDKSNNJZ-LJQANCHMSA-N 1 3 320.477 2.400 10 0 DEAEHO CCOCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915712 194169259 /nfs/dbraw/zinc/16/92/59/194169259.db2.gz KHKHQNVDKSNNJZ-LJQANCHMSA-N 1 3 320.477 2.400 10 0 DEAEHO C[N@H+](CCCCO)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915639 194169520 /nfs/dbraw/zinc/16/95/20/194169520.db2.gz BCNIIWMVONWFJQ-LJQANCHMSA-N 1 3 320.477 2.136 10 0 DEAEHO C[N@@H+](CCCCO)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105915639 194169521 /nfs/dbraw/zinc/16/95/21/194169521.db2.gz BCNIIWMVONWFJQ-LJQANCHMSA-N 1 3 320.477 2.136 10 0 DEAEHO CCCN(CCN(C)C)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711401 184248694 /nfs/dbraw/zinc/24/86/94/184248694.db2.gz OKGXLMXSMQJHBL-CQSZACIVSA-N 1 3 303.372 2.377 10 0 DEAEHO O=C(c1cccc(CN2CCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336323 145091493 /nfs/dbraw/zinc/09/14/93/145091493.db2.gz JMXSVWHROAUTFS-SFHVURJKSA-N 1 3 313.445 2.203 10 0 DEAEHO O=C(c1cccc(CN2CCCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195336323 145091495 /nfs/dbraw/zinc/09/14/95/145091495.db2.gz JMXSVWHROAUTFS-SFHVURJKSA-N 1 3 313.445 2.203 10 0 DEAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402947 145101640 /nfs/dbraw/zinc/10/16/40/145101640.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 1 3 313.449 2.429 10 0 DEAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402947 145101641 /nfs/dbraw/zinc/10/16/41/145101641.db2.gz AOXWVKZEGZIEHL-DOTOQJQBSA-N 1 3 313.449 2.429 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948763 145120458 /nfs/dbraw/zinc/12/04/58/145120458.db2.gz SAMNBPSGXXPMLY-MGNMYUMUSA-N 1 3 322.497 2.175 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246948763 145120460 /nfs/dbraw/zinc/12/04/60/145120460.db2.gz SAMNBPSGXXPMLY-MGNMYUMUSA-N 1 3 322.497 2.175 10 0 DEAEHO CCOC(=O)[C@H]1CN(CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261920480 145241797 /nfs/dbraw/zinc/24/17/97/145241797.db2.gz KJMXOIKSSYJNPD-KRWDZBQOSA-N 1 3 302.418 2.149 10 0 DEAEHO Cc1cc(C(C)C)nc(N2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000261927520 145243178 /nfs/dbraw/zinc/24/31/78/145243178.db2.gz LBYHFLJKFRVYPS-UHFFFAOYSA-N 1 3 317.481 2.030 10 0 DEAEHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059107 145258557 /nfs/dbraw/zinc/25/85/57/145258557.db2.gz QYJPBRPALSFRRC-RDJZCZTQSA-N 1 3 322.522 2.205 10 0 DEAEHO Cc1noc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)n1 ZINC000089518221 401950712 /nfs/dbraw/zinc/95/07/12/401950712.db2.gz XNZPJRFYWNRQJG-CYBMUJFWSA-N 1 3 318.421 2.212 10 0 DEAEHO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000120145114 401979798 /nfs/dbraw/zinc/97/97/98/401979798.db2.gz MALHFAVLMDYVHA-RDJZCZTQSA-N 1 3 309.498 2.343 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176139598 402282942 /nfs/dbraw/zinc/28/29/42/402282942.db2.gz SUZSQFKDQBPURO-MRXNPFEDSA-N 1 3 312.502 2.231 10 0 DEAEHO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000163573826 402452682 /nfs/dbraw/zinc/45/26/82/402452682.db2.gz AMOIGRSVHAMYAK-YJBOKZPZSA-N 1 3 315.461 2.409 10 0 DEAEHO Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)NCCC(C)C ZINC000178304851 402482250 /nfs/dbraw/zinc/48/22/50/402482250.db2.gz HTBYNHCDOQGFCI-GOEBONIOSA-N 1 3 306.454 2.207 10 0 DEAEHO CCC[NH+](CCC)CCCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000171239816 402569647 /nfs/dbraw/zinc/56/96/47/402569647.db2.gz MQEHNKXCPORFMP-INIZCTEOSA-N 1 3 312.502 2.282 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000246505801 402534057 /nfs/dbraw/zinc/53/40/57/402534057.db2.gz WUUHZXXCNAUQHC-ZACQAIPSSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000246505801 402534059 /nfs/dbraw/zinc/53/40/59/402534059.db2.gz WUUHZXXCNAUQHC-ZACQAIPSSA-N 1 3 322.497 2.129 10 0 DEAEHO COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CC1CC[NH2+]CC1 ZINC000261805674 402717738 /nfs/dbraw/zinc/71/77/38/402717738.db2.gz HIATWQWKUNETJQ-DLBZAZTESA-N 1 3 308.466 2.430 10 0 DEAEHO C[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561865 402699421 /nfs/dbraw/zinc/69/94/21/402699421.db2.gz XRSQEIDHUBIUHX-ZOBUZTSGSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561865 402699423 /nfs/dbraw/zinc/69/94/23/402699423.db2.gz XRSQEIDHUBIUHX-ZOBUZTSGSA-N 1 3 322.497 2.033 10 0 DEAEHO CCC[N@H+](CC)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000175209757 402788151 /nfs/dbraw/zinc/78/81/51/402788151.db2.gz KFXIZUXIOZLDJX-QGZVFWFLSA-N 1 3 320.481 2.320 10 0 DEAEHO CCC[N@@H+](CC)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000175209757 402788153 /nfs/dbraw/zinc/78/81/53/402788153.db2.gz KFXIZUXIOZLDJX-QGZVFWFLSA-N 1 3 320.481 2.320 10 0 DEAEHO COc1nsc(CNCCCC[NH+](C)C)c1Br ZINC000638451495 405477174 /nfs/dbraw/zinc/47/71/74/405477174.db2.gz ODKHGRFLCNLPQQ-UHFFFAOYSA-N 1 3 322.272 2.346 10 0 DEAEHO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000638079417 406558472 /nfs/dbraw/zinc/55/84/72/406558472.db2.gz DFZLIRBFPMSLQC-FUHWJXTLSA-N 1 3 313.445 2.062 10 0 DEAEHO [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000638079416 406559072 /nfs/dbraw/zinc/55/90/72/406559072.db2.gz DFZLIRBFPMSLQC-AEFFLSMTSA-N 1 3 313.445 2.062 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000303207870 424892600 /nfs/dbraw/zinc/89/26/00/424892600.db2.gz OGFPTCJCLAIICX-WMZOPIPTSA-N 1 3 315.461 2.142 10 0 DEAEHO CN(c1cccc(Br)c1CN)[C@H]1CCC[N@H+](C)C1 ZINC000168306408 517941754 /nfs/dbraw/zinc/94/17/54/517941754.db2.gz BXMNHCZSSQFYTA-NSHDSACASA-N 1 3 312.255 2.438 10 0 DEAEHO CN(c1cccc(Br)c1CN)[C@H]1CCC[N@@H+](C)C1 ZINC000168306408 517941766 /nfs/dbraw/zinc/94/17/66/517941766.db2.gz BXMNHCZSSQFYTA-NSHDSACASA-N 1 3 312.255 2.438 10 0 DEAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178877400 636471579 /nfs/dbraw/zinc/47/15/79/636471579.db2.gz OAKWUKQOIVPLQE-RHSMWYFYSA-N 1 3 318.465 2.140 10 0 DEAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178877400 636471581 /nfs/dbraw/zinc/47/15/81/636471581.db2.gz OAKWUKQOIVPLQE-RHSMWYFYSA-N 1 3 318.465 2.140 10 0 DEAEHO Brc1cnc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000714952801 792375049 /nfs/dbraw/zinc/37/50/49/792375049.db2.gz VQCXJDNJDIVAQF-OPRDCNLKSA-N 1 3 316.268 2.383 10 0 DEAEHO CC(C)CNCc1nc(CN(C)C[C@H]2CCC[N@@H+]2C)cs1 ZINC000092674606 185332857 /nfs/dbraw/zinc/33/28/57/185332857.db2.gz VPPLMBQKRJQLTR-OAHLLOKOSA-N 1 3 310.511 2.415 10 0 DEAEHO CC(C)CNCc1nc(CN(C)C[C@H]2CCC[N@H+]2C)cs1 ZINC000092674606 185332858 /nfs/dbraw/zinc/33/28/58/185332858.db2.gz VPPLMBQKRJQLTR-OAHLLOKOSA-N 1 3 310.511 2.415 10 0 DEAEHO [NH3+]C1CCN(CCNCc2cc(Br)cs2)CC1 ZINC000092721545 185336227 /nfs/dbraw/zinc/33/62/27/185336227.db2.gz CAWCPTKYQONMOU-UHFFFAOYSA-N 1 3 318.284 2.023 10 0 DEAEHO C[NH2+][C@H](Cc1ccc(F)cc1Cl)C[C@@H]1CN(C)CCN1C ZINC000149583779 186050790 /nfs/dbraw/zinc/05/07/90/186050790.db2.gz MJRSPINNRPJKBO-HUUCEWRRSA-N 1 3 313.848 2.246 10 0 DEAEHO C=Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617507070 363162245 /nfs/dbraw/zinc/16/22/45/363162245.db2.gz HAZQWFDJQRCZDJ-HNNXBMFYSA-N 1 3 303.450 2.331 10 0 DEAEHO C=Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617507070 363162250 /nfs/dbraw/zinc/16/22/50/363162250.db2.gz HAZQWFDJQRCZDJ-HNNXBMFYSA-N 1 3 303.450 2.331 10 0 DEAEHO COC[C@H](C)[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173682838 198239541 /nfs/dbraw/zinc/23/95/41/198239541.db2.gz RBKBBVWGKBPLFT-LPHOPBHVSA-N 1 3 320.477 2.399 10 0 DEAEHO COC[C@H](C)[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173682838 198239542 /nfs/dbraw/zinc/23/95/42/198239542.db2.gz RBKBBVWGKBPLFT-LPHOPBHVSA-N 1 3 320.477 2.399 10 0 DEAEHO CN(C)C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000107899571 355729761 /nfs/dbraw/zinc/72/97/61/355729761.db2.gz NLGMQOQQUDSADN-CQSZACIVSA-N 1 3 301.356 2.213 10 0 DEAEHO NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000152717110 283324064 /nfs/dbraw/zinc/32/40/64/283324064.db2.gz QRAGLSXMNSREHY-GDBMZVCRSA-N 1 3 307.482 2.417 10 0 DEAEHO CN(C)C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195315421 201379049 /nfs/dbraw/zinc/37/90/49/201379049.db2.gz IUTFRLYLVIGQQY-SFHVURJKSA-N 1 3 315.461 2.280 10 0 DEAEHO C[N@@H+]1CCC[C@@H]1CCOc1nc(C(F)(F)F)ccc1CN ZINC000094334490 193360189 /nfs/dbraw/zinc/36/01/89/193360189.db2.gz RZBLJAZMLSDGQP-LLVKDONJSA-N 1 3 303.328 2.422 10 0 DEAEHO C[N@H+]1CCC[C@@H]1CCOc1nc(C(F)(F)F)ccc1CN ZINC000094334490 193360190 /nfs/dbraw/zinc/36/01/90/193360190.db2.gz RZBLJAZMLSDGQP-LLVKDONJSA-N 1 3 303.328 2.422 10 0 DEAEHO CCCNCc1c(N(C)CCC[NH+](C)C)nc2sccn12 ZINC000111140973 194394392 /nfs/dbraw/zinc/39/43/92/194394392.db2.gz BLQQPYMESWCEKF-UHFFFAOYSA-N 1 3 309.483 2.283 10 0 DEAEHO CN(C)CCN(C)c1nc(C[C@@H]([NH3+])c2ccccc2)cs1 ZINC000111151294 194396655 /nfs/dbraw/zinc/39/66/55/194396655.db2.gz YDWAWJKJZACJJP-OAHLLOKOSA-N 1 3 304.463 2.383 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000156441802 197113473 /nfs/dbraw/zinc/11/34/73/197113473.db2.gz PUFSYWGMSSNHPG-RHSMWYFYSA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000156441802 197113474 /nfs/dbraw/zinc/11/34/74/197113474.db2.gz PUFSYWGMSSNHPG-RHSMWYFYSA-N 1 3 301.434 2.057 10 0 DEAEHO c1ccc(C[N@H+]2C[C@@H]3CCN(C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115333 /nfs/dbraw/zinc/11/53/33/257115333.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 1 3 301.434 2.014 10 0 DEAEHO c1ccc(C[N@@H+]2C[C@@H]3CCN(C[C@@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876279 257115334 /nfs/dbraw/zinc/11/53/34/257115334.db2.gz ACOZSRMIEDIZFJ-JZXOWHBKSA-N 1 3 301.434 2.014 10 0 DEAEHO c1csc(CN2C[C@@H]3CCC[C@H](C[NH+]4CCOCC4)[C@@H]3C2)n1 ZINC000263621720 257103980 /nfs/dbraw/zinc/10/39/80/257103980.db2.gz BWLJWQMGAKCHIV-PMPSAXMXSA-N 1 3 321.490 2.323 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000247320000 145133214 /nfs/dbraw/zinc/13/32/14/145133214.db2.gz LBMXIXOWOSJUAK-HYVNUMGLSA-N 1 3 324.440 2.118 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000247320000 145133215 /nfs/dbraw/zinc/13/32/15/145133215.db2.gz LBMXIXOWOSJUAK-HYVNUMGLSA-N 1 3 324.440 2.118 10 0 DEAEHO Cc1ccc([C@@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000262411459 292200489 /nfs/dbraw/zinc/20/04/89/292200489.db2.gz QPEQOUBTODXBCB-MAUKXSAKSA-N 1 3 315.461 2.104 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000128333516 401772347 /nfs/dbraw/zinc/77/23/47/401772347.db2.gz YLIPSFHFKLZDPK-IKGGRYGDSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000128333516 401772349 /nfs/dbraw/zinc/77/23/49/401772349.db2.gz YLIPSFHFKLZDPK-IKGGRYGDSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110103 401783773 /nfs/dbraw/zinc/78/37/73/401783773.db2.gz FAOGQNGHGRYRBV-GOSISDBHSA-N 1 3 317.477 2.355 10 0 DEAEHO CC(C)NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110103 401783774 /nfs/dbraw/zinc/78/37/74/401783774.db2.gz FAOGQNGHGRYRBV-GOSISDBHSA-N 1 3 317.477 2.355 10 0 DEAEHO COCCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000177983580 402449270 /nfs/dbraw/zinc/44/92/70/402449270.db2.gz URGDTRXNKBUCFN-QGZVFWFLSA-N 1 3 311.514 2.341 10 0 DEAEHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)C12CCOCC2 ZINC000186258813 402415448 /nfs/dbraw/zinc/41/54/48/402415448.db2.gz RLKOKSXXTOBOFH-BRWVUGGUSA-N 1 3 310.482 2.282 10 0 DEAEHO CN1CCC[C@H]1CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000162694745 402429032 /nfs/dbraw/zinc/42/90/32/402429032.db2.gz JJPOHVINYKWREZ-INIZCTEOSA-N 1 3 313.449 2.393 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000245672421 402477680 /nfs/dbraw/zinc/47/76/80/402477680.db2.gz FMWRZEGANACEQU-RDJZCZTQSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246280515 402522778 /nfs/dbraw/zinc/52/27/78/402522778.db2.gz NMMQCQSKSJCZDF-RDHHWEPZSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249747798 402640175 /nfs/dbraw/zinc/64/01/75/402640175.db2.gz ACJTZDDCHAAZGK-HZPDHXFCSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249747798 402640177 /nfs/dbraw/zinc/64/01/77/402640177.db2.gz ACJTZDDCHAAZGK-HZPDHXFCSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000249762045 402641267 /nfs/dbraw/zinc/64/12/67/402641267.db2.gz LSVYGVXAGGDCAF-ZACQAIPSSA-N 1 3 324.513 2.138 10 0 DEAEHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640124 402714992 /nfs/dbraw/zinc/71/49/92/402714992.db2.gz DUOOHXWMGTZETL-XYPHTWIQSA-N 1 3 309.417 2.180 10 0 DEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000173471486 402698769 /nfs/dbraw/zinc/69/87/69/402698769.db2.gz XYCRNLQACXSKQO-ZWKOTPCHSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000173471486 402698770 /nfs/dbraw/zinc/69/87/70/402698770.db2.gz XYCRNLQACXSKQO-ZWKOTPCHSA-N 1 3 315.461 2.447 10 0 DEAEHO CC(C)C1CCC(N2CCN(C(=O)CC[C@H](C)[NH3+])CC2)CC1 ZINC000193321436 402770432 /nfs/dbraw/zinc/77/04/32/402770432.db2.gz OTBHXIZBEZCOAY-GTPINHCMSA-N 1 3 309.498 2.473 10 0 DEAEHO CCN1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728573 402827361 /nfs/dbraw/zinc/82/73/61/402827361.db2.gz AOXWVKZEGZIEHL-WBVHZDCISA-N 1 3 313.449 2.429 10 0 DEAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728573 402827363 /nfs/dbraw/zinc/82/73/63/402827363.db2.gz AOXWVKZEGZIEHL-WBVHZDCISA-N 1 3 313.449 2.429 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000194150199 402785585 /nfs/dbraw/zinc/78/55/85/402785585.db2.gz MBLUJHDPYHZQKU-KRWDZBQOSA-N 1 3 318.465 2.032 10 0 DEAEHO O=C(Nc1ccccc1)N1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000333277762 403714104 /nfs/dbraw/zinc/71/41/04/403714104.db2.gz LTTLMJNTOCKNMV-JKSUJKDBSA-N 1 3 302.422 2.025 10 0 DEAEHO CC(C)(C)n1cnc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000329746278 404439215 /nfs/dbraw/zinc/43/92/15/404439215.db2.gz RSKYRAPLSKAHLV-CQSZACIVSA-N 1 3 319.453 2.124 10 0 DEAEHO C(CCN1CCOCC2(CC2)C1)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000360099634 404818044 /nfs/dbraw/zinc/81/80/44/404818044.db2.gz UKEZDHVODMBIFX-UHFFFAOYSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CCN1CCOCC2(CC2)C1)CC[N@H+]1CCOCC2(CC2)C1 ZINC000360099634 404818047 /nfs/dbraw/zinc/81/80/47/404818047.db2.gz UKEZDHVODMBIFX-UHFFFAOYSA-N 1 3 322.493 2.382 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771362 406275431 /nfs/dbraw/zinc/27/54/31/406275431.db2.gz SBHOOJAXOVEXHX-AYBZRNKSSA-N 1 3 315.461 2.013 10 0 DEAEHO c1nc(C2CC2)ncc1CCNC1CC[NH+](CC2CC2)CC1 ZINC000537094756 406281759 /nfs/dbraw/zinc/28/17/59/406281759.db2.gz VJHGIZGBGDCYLH-UHFFFAOYSA-N 1 3 300.450 2.361 10 0 DEAEHO CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000638100758 406570771 /nfs/dbraw/zinc/57/07/71/406570771.db2.gz NONBZMSWRHRCTM-KRWDZBQOSA-N 1 3 313.445 2.157 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000129027842 196012921 /nfs/dbraw/zinc/01/29/21/196012921.db2.gz FXNMBCUQKBWVBQ-HOTGVXAUSA-N 1 3 312.502 2.136 10 0 DEAEHO C[C@H](CNC(=O)C1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000390778659 424917708 /nfs/dbraw/zinc/91/77/08/424917708.db2.gz PGJSPOGGDJQLAK-ODIFPOPNSA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000397587710 269106557 /nfs/dbraw/zinc/10/65/57/269106557.db2.gz KFOZQSKZUWZOEY-JFIYKMOQSA-N 1 3 318.461 2.169 10 0 DEAEHO CCC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)N(C)C ZINC000161802888 276038532 /nfs/dbraw/zinc/03/85/32/276038532.db2.gz SEGLHAHQSXSERL-IAGOWNOFSA-N 1 3 305.466 2.444 10 0 DEAEHO CC1(C)CCCN[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262502530 278220307 /nfs/dbraw/zinc/22/03/07/278220307.db2.gz MDDRHNWWIQGGFR-MRXNPFEDSA-N 1 3 307.482 2.242 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000245462679 279326287 /nfs/dbraw/zinc/32/62/87/279326287.db2.gz GRCHONBKMLJNFW-CVEARBPZSA-N 1 3 312.502 2.088 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000245462679 279326289 /nfs/dbraw/zinc/32/62/89/279326289.db2.gz GRCHONBKMLJNFW-CVEARBPZSA-N 1 3 312.502 2.088 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000111847457 519842557 /nfs/dbraw/zinc/84/25/57/519842557.db2.gz GAMXSGDPFQQLFQ-QGZVFWFLSA-N 1 3 324.513 2.282 10 0 DEAEHO CC1(C)CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@H]1[NH3+] ZINC000261949314 535349528 /nfs/dbraw/zinc/34/95/28/535349528.db2.gz JZTLWDXTFFDCTP-QGZVFWFLSA-N 1 3 315.461 2.482 10 0 DEAEHO CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000261783621 535668986 /nfs/dbraw/zinc/66/89/86/535668986.db2.gz BOEMMJLWFXWMBU-UXLLHSPISA-N 1 3 303.450 2.408 10 0 DEAEHO COC(OC)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381757102 685402062 /nfs/dbraw/zinc/40/20/62/685402062.db2.gz GTONBNPIIOTJRC-ZOBUZTSGSA-N 1 3 306.450 2.494 10 0 DEAEHO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000710968394 1086692510 /nfs/dbraw/zinc/69/25/10/1086692510.db2.gz SWRJQSGYDACMKW-IRXDYDNUSA-N 1 3 304.434 2.250 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)CN1Cc1ccccc1 ZINC000711344642 1087069619 /nfs/dbraw/zinc/06/96/19/1087069619.db2.gz JLASIKYYWMVSDW-OIISXLGYSA-N 1 3 315.461 2.011 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000152424844 282144637 /nfs/dbraw/zinc/14/46/37/282144637.db2.gz DGBKUCGZXZQERV-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000152424844 282144638 /nfs/dbraw/zinc/14/46/38/282144638.db2.gz DGBKUCGZXZQERV-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO [NH3+]Cc1ccc([C@@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088417764 185249208 /nfs/dbraw/zinc/24/92/08/185249208.db2.gz PIYDQUASZNARBM-KBPBESRZSA-N 1 3 302.340 2.453 10 0 DEAEHO COc1cccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000192950943 539710606 /nfs/dbraw/zinc/71/06/06/539710606.db2.gz RGHGYTBQHSRBPK-AWEZNQCLSA-N 1 3 324.440 2.359 10 0 DEAEHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447550 283157223 /nfs/dbraw/zinc/15/72/23/283157223.db2.gz NXCVKRBBAVDROC-GOEBONIOSA-N 1 3 323.481 2.483 10 0 DEAEHO c1cc(OC[C@@H]2CCCO2)ccc1CNCCC[NH+]1CCC1 ZINC000578247192 356787017 /nfs/dbraw/zinc/78/70/17/356787017.db2.gz NZMFJKBJLJHLAX-SFHVURJKSA-N 1 3 304.434 2.430 10 0 DEAEHO C[NH2+]CCOCCN(C)Cc1ccc(C)c(Br)c1 ZINC000629653661 367287595 /nfs/dbraw/zinc/28/75/95/367287595.db2.gz LWZGPHDFHSCLDP-UHFFFAOYSA-N 1 3 315.255 2.425 10 0 DEAEHO CC[C@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106386577 194205320 /nfs/dbraw/zinc/20/53/20/194205320.db2.gz BGWHMOJPYJAPDJ-OALUTQOASA-N 1 3 320.477 2.135 10 0 DEAEHO CC[C@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106386577 194205322 /nfs/dbraw/zinc/20/53/22/194205322.db2.gz BGWHMOJPYJAPDJ-OALUTQOASA-N 1 3 320.477 2.135 10 0 DEAEHO CC(C)C[C@H](C)OC[C@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071526 184204197 /nfs/dbraw/zinc/20/41/97/184204197.db2.gz XISCAGMBMMCTHF-IXDOHACOSA-N 1 3 300.487 2.120 10 0 DEAEHO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071526 184204198 /nfs/dbraw/zinc/20/41/98/184204198.db2.gz XISCAGMBMMCTHF-IXDOHACOSA-N 1 3 300.487 2.120 10 0 DEAEHO CN[C@H](c1c(Br)cnn1CC[NH+](C)C)C(C)C ZINC000158690700 197295264 /nfs/dbraw/zinc/29/52/64/197295264.db2.gz NLERBCINYZCTQU-NSHDSACASA-N 1 3 303.248 2.124 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(Br)cc1 ZINC000234729801 285219994 /nfs/dbraw/zinc/21/99/94/285219994.db2.gz SZBDSETZQPSIMC-CYBMUJFWSA-N 1 3 301.228 2.293 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1C ZINC000357407877 133076084 /nfs/dbraw/zinc/07/60/84/133076084.db2.gz FPKYMJNUWMDRDL-MAUKXSAKSA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1C ZINC000357407877 133076085 /nfs/dbraw/zinc/07/60/85/133076085.db2.gz FPKYMJNUWMDRDL-MAUKXSAKSA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000248997009 145175131 /nfs/dbraw/zinc/17/51/31/145175131.db2.gz PFMNHYJJMXRGQQ-NUIAMIPMSA-N 1 3 309.498 2.091 10 0 DEAEHO CN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261558161 145208153 /nfs/dbraw/zinc/20/81/53/145208153.db2.gz XXYPNSHWEMAJJE-SFHVURJKSA-N 1 3 315.461 2.109 10 0 DEAEHO N[C@@H](CC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261784427 145225628 /nfs/dbraw/zinc/22/56/28/145225628.db2.gz SWMRGQVAHZDDFG-SFHVURJKSA-N 1 3 311.429 2.107 10 0 DEAEHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262093899 145260599 /nfs/dbraw/zinc/26/05/99/145260599.db2.gz UZWLPHOZBIFHKC-BZSNNMDCSA-N 1 3 302.466 2.006 10 0 DEAEHO C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000262311836 145275585 /nfs/dbraw/zinc/27/55/85/145275585.db2.gz BPCJYETYFLXHBY-RDJZCZTQSA-N 1 3 307.482 2.099 10 0 DEAEHO CN(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561957 145293409 /nfs/dbraw/zinc/29/34/09/145293409.db2.gz VQMGVXCHSMOKAS-JKSUJKDBSA-N 1 3 303.450 2.184 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362892 401914396 /nfs/dbraw/zinc/91/43/96/401914396.db2.gz ATRZJDNPSJNUJR-GJZGRUSLSA-N 1 3 314.518 2.238 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1cc(Br)ccc1F ZINC000234793436 402360978 /nfs/dbraw/zinc/36/09/78/402360978.db2.gz HERXKMBPOYMNJB-LBPRGKRZSA-N 1 3 319.218 2.432 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245482417 402464912 /nfs/dbraw/zinc/46/49/12/402464912.db2.gz ZHGWEIBGFARXDE-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245482417 402464915 /nfs/dbraw/zinc/46/49/15/402464915.db2.gz ZHGWEIBGFARXDE-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H]1CCCN(C(=O)C2CC[NH+](CCCN3CCCC3)CC2)C1 ZINC000170793967 402526299 /nfs/dbraw/zinc/52/62/99/402526299.db2.gz GJQPBTYHMCUXHR-KRWDZBQOSA-N 1 3 321.509 2.443 10 0 DEAEHO C[C@H](NC[C@@H](O)COC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560026 402595600 /nfs/dbraw/zinc/59/56/00/402595600.db2.gz JFKNBGKIDGOUHU-ZMSDIMECSA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H](NC[C@@H](O)COC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560026 402595603 /nfs/dbraw/zinc/59/56/03/402595603.db2.gz JFKNBGKIDGOUHU-ZMSDIMECSA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000248560026 402595605 /nfs/dbraw/zinc/59/56/05/402595605.db2.gz JFKNBGKIDGOUHU-ZMSDIMECSA-N 1 3 312.498 2.405 10 0 DEAEHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@@H]3[C@@H]3COCCN3)CC2)C1 ZINC000261841632 402717989 /nfs/dbraw/zinc/71/79/89/402717989.db2.gz ALSGZBGVWISSNO-FHWLQOOXSA-N 1 3 321.509 2.140 10 0 DEAEHO Cc1nc(C)c(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000172792024 402675884 /nfs/dbraw/zinc/67/58/84/402675884.db2.gz KRAGRJQDOZAALR-GFCCVEGCSA-N 1 3 311.495 2.285 10 0 DEAEHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851386 405713435 /nfs/dbraw/zinc/71/34/35/405713435.db2.gz JLNGLXKSNNERJZ-WBVHZDCISA-N 1 3 303.450 2.285 10 0 DEAEHO C[NH2+]CCC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850418 405713501 /nfs/dbraw/zinc/71/35/01/405713501.db2.gz GCBNOGFUBYBVFT-KRWDZBQOSA-N 1 3 303.450 2.157 10 0 DEAEHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000638081432 406560000 /nfs/dbraw/zinc/56/00/00/406560000.db2.gz YUNHSAUXRIBHSY-WBVHZDCISA-N 1 3 303.450 2.155 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)CCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000638103175 406571892 /nfs/dbraw/zinc/57/18/92/406571892.db2.gz LJHKHMCZCPTNHI-MAUKXSAKSA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CCCNC1 ZINC000643489437 407006667 /nfs/dbraw/zinc/00/66/67/407006667.db2.gz JIXRTRBCHYJMCS-NWDGAFQWSA-N 1 3 315.259 2.013 10 0 DEAEHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000195127638 424880612 /nfs/dbraw/zinc/88/06/12/424880612.db2.gz NRJCZQXYRKQZQP-IRXDYDNUSA-N 1 3 324.513 2.136 10 0 DEAEHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972220 424916707 /nfs/dbraw/zinc/91/67/07/424916707.db2.gz CNKJLCPFIUTHKY-KUQKPQIMSA-N 1 3 315.461 2.141 10 0 DEAEHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248184717 535996150 /nfs/dbraw/zinc/99/61/50/535996150.db2.gz XBRCQGINUHPSIV-QZTJIDSGSA-N 1 3 315.461 2.305 10 0 DEAEHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248184717 535996156 /nfs/dbraw/zinc/99/61/56/535996156.db2.gz XBRCQGINUHPSIV-QZTJIDSGSA-N 1 3 315.461 2.305 10 0 DEAEHO COC(OC)[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381757100 685401799 /nfs/dbraw/zinc/40/17/99/685401799.db2.gz GTONBNPIIOTJRC-VYDXJSESSA-N 1 3 306.450 2.494 10 0 DEAEHO OCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716635416 792982022 /nfs/dbraw/zinc/98/20/22/792982022.db2.gz FSNDGVKGFRZDLT-BZSNNMDCSA-N 1 3 300.446 2.402 10 0 DEAEHO CN(C)CCN[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000087912145 185237213 /nfs/dbraw/zinc/23/72/13/185237213.db2.gz DRCVVYXKEWCGJA-GFCCVEGCSA-N 1 3 307.385 2.450 10 0 DEAEHO CCN(CC)CCN[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000087912729 185237376 /nfs/dbraw/zinc/23/73/76/185237376.db2.gz QIDIYJMTPMFASI-AWEZNQCLSA-N 1 3 301.381 2.219 10 0 DEAEHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580726 282255109 /nfs/dbraw/zinc/25/51/09/282255109.db2.gz GERXJYDOUAHZCZ-INIZCTEOSA-N 1 3 303.450 2.280 10 0 DEAEHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580726 282255113 /nfs/dbraw/zinc/25/51/13/282255113.db2.gz GERXJYDOUAHZCZ-INIZCTEOSA-N 1 3 303.450 2.280 10 0 DEAEHO CC(C)CN(CCN(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080506114 192163903 /nfs/dbraw/zinc/16/39/03/192163903.db2.gz OWQMQISXTWBVSB-ALOPSCKCSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)CN(CCN(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000080506114 192163906 /nfs/dbraw/zinc/16/39/06/192163906.db2.gz OWQMQISXTWBVSB-ALOPSCKCSA-N 1 3 324.513 2.231 10 0 DEAEHO CC[NH+](CC)CCCN1Cc2c(cc(OC)cc2F)[C@H]1CN ZINC000071683460 191007562 /nfs/dbraw/zinc/00/75/62/191007562.db2.gz FAMLGGYRHZUKOQ-QGZVFWFLSA-N 1 3 309.429 2.382 10 0 DEAEHO CN(C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(CCc1nccs1)C2 ZINC000071683843 191007573 /nfs/dbraw/zinc/00/75/73/191007573.db2.gz KNKQGGKCEDKNFC-MRXNPFEDSA-N 1 3 316.474 2.263 10 0 DEAEHO CN(C)CCn1ncc(Cl)c1C1(F)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000163999807 186145302 /nfs/dbraw/zinc/14/53/02/186145302.db2.gz FJZOBMQQTROMMH-BVUQATHDSA-N 1 3 300.809 2.177 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000382730907 540123441 /nfs/dbraw/zinc/12/34/41/540123441.db2.gz BANYIKHONHKCKN-SJLPKXTDSA-N 1 3 317.477 2.483 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000193311887 201027356 /nfs/dbraw/zinc/02/73/56/201027356.db2.gz DUJXDXNASYFUDA-GJZGRUSLSA-N 1 3 303.450 2.456 10 0 DEAEHO C[N@H+](CC[C@H]1CNCCO1)Cc1cccc(Br)c1 ZINC000091313772 193038510 /nfs/dbraw/zinc/03/85/10/193038510.db2.gz PTILRAKHZCMFIW-AWEZNQCLSA-N 1 3 313.239 2.259 10 0 DEAEHO C[N@@H+](CC[C@H]1CNCCO1)Cc1cccc(Br)c1 ZINC000091313772 193038512 /nfs/dbraw/zinc/03/85/12/193038512.db2.gz PTILRAKHZCMFIW-AWEZNQCLSA-N 1 3 313.239 2.259 10 0 DEAEHO C[NH+](C)[C@H]1CCCN(c2cc(Br)ccc2CN)C1 ZINC000091393765 193050570 /nfs/dbraw/zinc/05/05/70/193050570.db2.gz AQJQTDIPXVLBBL-ZDUSSCGKSA-N 1 3 312.255 2.438 10 0 DEAEHO c1cc(OCCC[N@@H+]2CCC[C@@H]3CNCC[C@H]32)cc2c1OCO2 ZINC000631886506 368441464 /nfs/dbraw/zinc/44/14/64/368441464.db2.gz IGUBFAAKIQMPJT-GDBMZVCRSA-N 1 3 318.417 2.258 10 0 DEAEHO c1cc(OCCC[N@H+]2CCC[C@@H]3CNCC[C@H]32)cc2c1OCO2 ZINC000631886506 368441470 /nfs/dbraw/zinc/44/14/70/368441470.db2.gz IGUBFAAKIQMPJT-GDBMZVCRSA-N 1 3 318.417 2.258 10 0 DEAEHO COCC[N@H+](CC(C)C)[C@H]1CCC[C@@](CO)(NC(C)C)C1 ZINC000093782964 193307201 /nfs/dbraw/zinc/30/72/01/193307201.db2.gz ZGTKSLRPDRUWEZ-DLBZAZTESA-N 1 3 300.487 2.263 10 0 DEAEHO COCC[N@@H+](CC(C)C)[C@H]1CCC[C@@](CO)(NC(C)C)C1 ZINC000093782964 193307204 /nfs/dbraw/zinc/30/72/04/193307204.db2.gz ZGTKSLRPDRUWEZ-DLBZAZTESA-N 1 3 300.487 2.263 10 0 DEAEHO COCCN(CC(C)C)[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093782964 193307206 /nfs/dbraw/zinc/30/72/06/193307206.db2.gz ZGTKSLRPDRUWEZ-DLBZAZTESA-N 1 3 300.487 2.263 10 0 DEAEHO c1cc2c(cc1NC1CC[NH+](CC3CC3)CC1)OCCNC2 ZINC000530182078 284361978 /nfs/dbraw/zinc/36/19/78/284361978.db2.gz RDPKILVNKNLKGW-UHFFFAOYSA-N 1 3 301.434 2.455 10 0 DEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1ccccc1OC(F)F ZINC000111133800 194394425 /nfs/dbraw/zinc/39/44/25/194394425.db2.gz SYUPCDVRNUCMGA-CYBMUJFWSA-N 1 3 301.381 2.171 10 0 DEAEHO C[NH2+][C@H](CN(C)CCN(C)C)c1cccc(C(F)(F)F)c1 ZINC000111134734 194394018 /nfs/dbraw/zinc/39/40/18/194394018.db2.gz CHPXNTXXEJFNSY-CQSZACIVSA-N 1 3 303.372 2.459 10 0 DEAEHO C[NH+](C)[C@@H]1CCN([C@@H](CN)c2ccccc2C(F)(F)F)C1 ZINC000062964748 184263076 /nfs/dbraw/zinc/26/30/76/184263076.db2.gz OAIFBEZGTFGTFK-RISCZKNCSA-N 1 3 301.356 2.341 10 0 DEAEHO CCc1nc(C2CCN(CCC[NH+]3CCCCC3)CC2)n[nH]1 ZINC000190699713 145046527 /nfs/dbraw/zinc/04/65/27/145046527.db2.gz WRPASSIPWFTKTC-UHFFFAOYSA-N 1 3 305.470 2.423 10 0 DEAEHO CCc1n[nH]c(C2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000190699713 145046530 /nfs/dbraw/zinc/04/65/30/145046530.db2.gz WRPASSIPWFTKTC-UHFFFAOYSA-N 1 3 305.470 2.423 10 0 DEAEHO CCc1nnc(C2CCN(CCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000190699713 145046532 /nfs/dbraw/zinc/04/65/32/145046532.db2.gz WRPASSIPWFTKTC-UHFFFAOYSA-N 1 3 305.470 2.423 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261549153 145206953 /nfs/dbraw/zinc/20/69/53/145206953.db2.gz OGTAHBCRDAIHPY-FGTMMUONSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H](CC(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[NH2+]C1 ZINC000261765574 145224304 /nfs/dbraw/zinc/22/43/04/145224304.db2.gz QRCXFSYAPIXXRH-QWHCGFSZSA-N 1 3 319.424 2.436 10 0 DEAEHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000305877606 145348655 /nfs/dbraw/zinc/34/86/55/145348655.db2.gz SBKSOJPCISNBDD-RCCFBDPRSA-N 1 3 300.446 2.402 10 0 DEAEHO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113513796 401781638 /nfs/dbraw/zinc/78/16/38/401781638.db2.gz LAJPAXHLENBZJJ-IAGOWNOFSA-N 1 3 320.477 2.433 10 0 DEAEHO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113513796 401781642 /nfs/dbraw/zinc/78/16/42/401781642.db2.gz LAJPAXHLENBZJJ-IAGOWNOFSA-N 1 3 320.477 2.433 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000119097694 401925696 /nfs/dbraw/zinc/92/56/96/401925696.db2.gz JLHPBPRCYZJLEY-OTBWCIGPSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N(C)C1CC1 ZINC000107846991 402242158 /nfs/dbraw/zinc/24/21/58/402242158.db2.gz XEONCICDCHSYCI-WBVHZDCISA-N 1 3 322.497 2.129 10 0 DEAEHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000125720556 402246999 /nfs/dbraw/zinc/24/69/99/402246999.db2.gz ZNGPBGRENZJGER-UHFFFAOYSA-N 1 3 307.482 2.197 10 0 DEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247284908 402562616 /nfs/dbraw/zinc/56/26/16/402562616.db2.gz KMWDQEHRGAQEDT-IKGGRYGDSA-N 1 3 324.513 2.088 10 0 DEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247284908 402562619 /nfs/dbraw/zinc/56/26/19/402562619.db2.gz KMWDQEHRGAQEDT-IKGGRYGDSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)[C@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170781889 402524525 /nfs/dbraw/zinc/52/45/25/402524525.db2.gz YKGBFHVMGKDVOE-OAHLLOKOSA-N 1 3 309.498 2.343 10 0 DEAEHO CC(C)[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170781886 402524543 /nfs/dbraw/zinc/52/45/43/402524543.db2.gz YKGBFHVMGKDVOE-HNNXBMFYSA-N 1 3 309.498 2.343 10 0 DEAEHO C[C@H]1C[C@@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000179743418 402599556 /nfs/dbraw/zinc/59/95/56/402599556.db2.gz ULZVKVHXZCHWBT-GJZGRUSLSA-N 1 3 318.465 2.449 10 0 DEAEHO C[C@H]1C[C@@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000179743418 402599558 /nfs/dbraw/zinc/59/95/58/402599558.db2.gz ULZVKVHXZCHWBT-GJZGRUSLSA-N 1 3 318.465 2.449 10 0 DEAEHO CCC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000181473500 402646554 /nfs/dbraw/zinc/64/65/54/402646554.db2.gz SMJDCUYUQPQCCF-ZMSDIMECSA-N 1 3 309.498 2.486 10 0 DEAEHO CCC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000181473500 402646556 /nfs/dbraw/zinc/64/65/56/402646556.db2.gz SMJDCUYUQPQCCF-ZMSDIMECSA-N 1 3 309.498 2.486 10 0 DEAEHO c1ncn2cc(C[NH2+]C3CCN(c4ccncc4)CC3)ccc12 ZINC000297508387 404565381 /nfs/dbraw/zinc/56/53/81/404565381.db2.gz MBHSGNUKWOMCHL-UHFFFAOYSA-N 1 3 307.401 2.488 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193727823 424871490 /nfs/dbraw/zinc/87/14/90/424871490.db2.gz OULCKJQVQIRJKZ-KRWDZBQOSA-N 1 3 324.513 2.136 10 0 DEAEHO C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000390777113 424917359 /nfs/dbraw/zinc/91/73/59/424917359.db2.gz OBPKHNKXGSURSA-NVXWUHKLSA-N 1 3 303.450 2.142 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398039248 424922091 /nfs/dbraw/zinc/92/20/91/424922091.db2.gz KIKGCULHPNHHDW-JQHSSLGASA-N 1 3 317.477 2.387 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309593273 424893196 /nfs/dbraw/zinc/89/31/96/424893196.db2.gz PJGAUINUXJEDEE-IRXDYDNUSA-N 1 3 303.450 2.141 10 0 DEAEHO CN1CC=C(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000392196003 269099301 /nfs/dbraw/zinc/09/93/01/269099301.db2.gz COLIETVGWJILJX-INIZCTEOSA-N 1 3 323.481 2.485 10 0 DEAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397688508 269106679 /nfs/dbraw/zinc/10/66/79/269106679.db2.gz OYHNDDMIPQSXKX-FUHWJXTLSA-N 1 3 318.461 2.028 10 0 DEAEHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246486390 278257629 /nfs/dbraw/zinc/25/76/29/278257629.db2.gz OYWZQCFURGNVJC-JJTUDDRGSA-N 1 3 307.482 2.144 10 0 DEAEHO C[C@@H]1CN(C[C@@H]2CCCN2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000170794134 297018414 /nfs/dbraw/zinc/01/84/14/297018414.db2.gz BWJHEYZRPOCLNR-KURKYZTESA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCCN2CCCC2)C[C@@H](C)O1 ZINC000170794134 297018416 /nfs/dbraw/zinc/01/84/16/297018416.db2.gz BWJHEYZRPOCLNR-KURKYZTESA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCCN2CCCC2)C[C@@H](C)O1 ZINC000170794134 297018417 /nfs/dbraw/zinc/01/84/17/297018417.db2.gz BWJHEYZRPOCLNR-KURKYZTESA-N 1 3 309.498 2.046 10 0 DEAEHO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000238035515 295336971 /nfs/dbraw/zinc/33/69/71/295336971.db2.gz YYNKGPPMIRKCQW-IRXDYDNUSA-N 1 3 307.482 2.228 10 0 DEAEHO CN1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000248851627 523966103 /nfs/dbraw/zinc/96/61/03/523966103.db2.gz BIGVVKWXBXGFOX-QZTJIDSGSA-N 1 3 309.413 2.321 10 0 DEAEHO COC[C@H](CCO)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619643 792978383 /nfs/dbraw/zinc/97/83/83/792978383.db2.gz GMHMIQFDRWBCAR-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@H](CCO)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619643 792978388 /nfs/dbraw/zinc/97/83/88/792978388.db2.gz GMHMIQFDRWBCAR-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619643 792978394 /nfs/dbraw/zinc/97/83/94/792978394.db2.gz GMHMIQFDRWBCAR-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO CC(=O)NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716693662 793001726 /nfs/dbraw/zinc/00/17/26/793001726.db2.gz PUIUEIJNXABYOE-FHWLQOOXSA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCC(=O)Nc1cccc(Cl)c1 ZINC000090327567 185291276 /nfs/dbraw/zinc/29/12/76/185291276.db2.gz QRKSMENGVKTMPM-LALPHHSUSA-N 1 3 307.825 2.208 10 0 DEAEHO CN[C@@H]1COC[C@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438771 185296687 /nfs/dbraw/zinc/29/66/87/185296687.db2.gz DIENTRPRFSQUPT-TZMCWYRMSA-N 1 3 313.239 2.115 10 0 DEAEHO CN[C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438771 185296688 /nfs/dbraw/zinc/29/66/88/185296688.db2.gz DIENTRPRFSQUPT-TZMCWYRMSA-N 1 3 313.239 2.115 10 0 DEAEHO CN(C)C1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000185180945 539670775 /nfs/dbraw/zinc/67/07/75/539670775.db2.gz UFOBNIXGIZDPMG-UHFFFAOYSA-N 1 3 309.498 2.297 10 0 DEAEHO CC[NH2+][C@@H](Cc1ccc(CC)s1)C[C@@H]1CN(C)CCN1C ZINC000149690040 186052779 /nfs/dbraw/zinc/05/27/79/186052779.db2.gz IHSIRDAWDRHFBN-HUUCEWRRSA-N 1 3 309.523 2.467 10 0 DEAEHO CN(C)CCn1ncc(Cl)c1[C@](C)(F)[C@H]1CCC[NH2+]C1 ZINC000164005805 186145609 /nfs/dbraw/zinc/14/56/09/186145609.db2.gz CGASUWKOMPSOGR-SMDDNHRTSA-N 1 3 302.825 2.282 10 0 DEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333551949 539963271 /nfs/dbraw/zinc/96/32/71/539963271.db2.gz KIEYWMRMYUZQIE-NCOADZHNSA-N 1 3 316.449 2.001 10 0 DEAEHO Cc1ccc(CN2CCC3(C[N@H+](C)C[C@H]3CO)CC2)cc1C ZINC000169789478 355983523 /nfs/dbraw/zinc/98/35/23/355983523.db2.gz MSBJWKOCPSXQCK-SFHVURJKSA-N 1 3 302.462 2.440 10 0 DEAEHO Cc1ccc(CN2CCC3(C[N@@H+](C)C[C@H]3CO)CC2)cc1C ZINC000169789478 355983529 /nfs/dbraw/zinc/98/35/29/355983529.db2.gz MSBJWKOCPSXQCK-SFHVURJKSA-N 1 3 302.462 2.440 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262666658 356343727 /nfs/dbraw/zinc/34/37/27/356343727.db2.gz KHDMYCQSUSUALX-NCOADZHNSA-N 1 3 307.482 2.288 10 0 DEAEHO COc1ccc(CN2CCC(C[NH3+])(SC)CC2)cc1OC ZINC000091470793 193060687 /nfs/dbraw/zinc/06/06/87/193060687.db2.gz XIIZFPKXAGBNNP-UHFFFAOYSA-N 1 3 310.463 2.360 10 0 DEAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631692 193082978 /nfs/dbraw/zinc/08/29/78/193082978.db2.gz MOSNPQKBXYFNMM-GJZGRUSLSA-N 1 3 303.454 2.277 10 0 DEAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631692 193082979 /nfs/dbraw/zinc/08/29/79/193082979.db2.gz MOSNPQKBXYFNMM-GJZGRUSLSA-N 1 3 303.454 2.277 10 0 DEAEHO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCCCC3)c2)O1 ZINC000261752620 203109345 /nfs/dbraw/zinc/10/93/45/203109345.db2.gz DVJHMAZBXLEMIA-SJORKVTESA-N 1 3 317.433 2.117 10 0 DEAEHO CS(=O)(=O)[C@H]1CCC[C@@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC000094634619 193386337 /nfs/dbraw/zinc/38/63/37/193386337.db2.gz WPUZWSJQDOBVKI-CVEARBPZSA-N 1 3 316.511 2.326 10 0 DEAEHO CS(=O)(=O)[C@H]1CCC[C@@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC000094634619 193386339 /nfs/dbraw/zinc/38/63/39/193386339.db2.gz WPUZWSJQDOBVKI-CVEARBPZSA-N 1 3 316.511 2.326 10 0 DEAEHO CCC[NH2+][C@@H]1[C@H](CN(CCC)CCO)C(C)(C)OC1(C)C ZINC000094428442 193368564 /nfs/dbraw/zinc/36/85/64/193368564.db2.gz KDRUVYKKDIOFLY-LSDHHAIUSA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@@H]1[C@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428442 193368566 /nfs/dbraw/zinc/36/85/66/193368566.db2.gz KDRUVYKKDIOFLY-LSDHHAIUSA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@@H]1[C@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428442 193368567 /nfs/dbraw/zinc/36/85/67/193368567.db2.gz KDRUVYKKDIOFLY-LSDHHAIUSA-N 1 3 300.487 2.263 10 0 DEAEHO CC1(C)CCSC[C@@]1(C[NH3+])N1CC[C@H](N2CCCCC2)C1 ZINC000094484315 193373003 /nfs/dbraw/zinc/37/30/03/193373003.db2.gz NEDHKFFJPMSARB-DOTOQJQBSA-N 1 3 311.539 2.407 10 0 DEAEHO CC1(C)CSC[C@@](CN)([N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000094489554 193373200 /nfs/dbraw/zinc/37/32/00/193373200.db2.gz MCEYGPWOQSVSMN-DOTOQJQBSA-N 1 3 311.539 2.407 10 0 DEAEHO CC1(C)CSC[C@@](CN)([N@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000094489554 193373202 /nfs/dbraw/zinc/37/32/02/193373202.db2.gz MCEYGPWOQSVSMN-DOTOQJQBSA-N 1 3 311.539 2.407 10 0 DEAEHO CC1(C)CSC[C@@](C[NH3+])(N2CC[C@H](N3CCCCC3)C2)C1 ZINC000094489554 193373204 /nfs/dbraw/zinc/37/32/04/193373204.db2.gz MCEYGPWOQSVSMN-DOTOQJQBSA-N 1 3 311.539 2.407 10 0 DEAEHO c1cc2c(c(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c1)OCO2 ZINC000530247979 284385572 /nfs/dbraw/zinc/38/55/72/284385572.db2.gz FPSRPKPRUNUCMC-INIZCTEOSA-N 1 3 318.417 2.006 10 0 DEAEHO C[NH+](C)[C@@H]1CCN(c2nc(-c3ccccc3)c(CN)s2)C1 ZINC000110275425 194319200 /nfs/dbraw/zinc/31/92/00/194319200.db2.gz ZUODZXHEGCVHJT-CYBMUJFWSA-N 1 3 302.447 2.409 10 0 DEAEHO CCCc1nc(N2CC[C@@H](N3CCCC3)C2)sc1C[NH2+]C ZINC000110275677 194318838 /nfs/dbraw/zinc/31/88/38/194318838.db2.gz BARRYSIBKORCDA-CYBMUJFWSA-N 1 3 308.495 2.490 10 0 DEAEHO C[NH+](C)C[C@@H]1CCCN1c1cc(Br)ccc1CN ZINC000061645992 184181139 /nfs/dbraw/zinc/18/11/39/184181139.db2.gz FLRRJPDNJJPDNZ-ZDUSSCGKSA-N 1 3 312.255 2.438 10 0 DEAEHO O=C1NCCCC[C@H]1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120292673 195136460 /nfs/dbraw/zinc/13/64/60/195136460.db2.gz FCSVBJRQOCPEDF-QGZVFWFLSA-N 1 3 307.482 2.243 10 0 DEAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000247508382 145139680 /nfs/dbraw/zinc/13/96/80/145139680.db2.gz YEHTWCUMEPPRAF-ZACQAIPSSA-N 1 3 324.513 2.135 10 0 DEAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000247508382 145139681 /nfs/dbraw/zinc/13/96/81/145139681.db2.gz YEHTWCUMEPPRAF-ZACQAIPSSA-N 1 3 324.513 2.135 10 0 DEAEHO COc1ccccc1N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249045210 145176677 /nfs/dbraw/zinc/17/66/77/145176677.db2.gz VVVZEBSYVCTPCK-XYTVBORESA-N 1 3 315.461 2.489 10 0 DEAEHO COc1ccccc1N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249045210 145176679 /nfs/dbraw/zinc/17/66/79/145176679.db2.gz VVVZEBSYVCTPCK-XYTVBORESA-N 1 3 315.461 2.489 10 0 DEAEHO OC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000305877605 145348682 /nfs/dbraw/zinc/34/86/82/145348682.db2.gz SBKSOJPCISNBDD-OKZBNKHCSA-N 1 3 300.446 2.402 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127327461 401729379 /nfs/dbraw/zinc/72/93/79/401729379.db2.gz ZZIPBMUDHBIPJX-ZBFHGGJFSA-N 1 3 322.497 2.033 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000078434392 401851123 /nfs/dbraw/zinc/85/11/23/401851123.db2.gz XNKSYCJXBCXYTD-WBVHZDCISA-N 1 3 320.481 2.319 10 0 DEAEHO C[NH+]1CCC(NCc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000176830536 402340814 /nfs/dbraw/zinc/34/08/14/402340814.db2.gz WBVCWBJTEMDUOD-UHFFFAOYSA-N 1 3 311.429 2.080 10 0 DEAEHO Cc1nccn1C[C@@H]1CCCN1CC(=O)N(C)c1ccccc1 ZINC000178306215 402482642 /nfs/dbraw/zinc/48/26/42/402482642.db2.gz XYJIPBSOIOZWOT-KRWDZBQOSA-N 1 3 312.417 2.319 10 0 DEAEHO C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)N(C)Cc1ccccc1 ZINC000168753546 402498635 /nfs/dbraw/zinc/49/86/35/402498635.db2.gz JYBAANUYJYEURA-HNNXBMFYSA-N 1 3 311.429 2.396 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189958616 402568172 /nfs/dbraw/zinc/56/81/72/402568172.db2.gz JYNGIPOJBBDNNQ-OAHLLOKOSA-N 1 3 312.502 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246341762 402525825 /nfs/dbraw/zinc/52/58/25/402525825.db2.gz OVLLSFJPSVARLE-XHSDSOJGSA-N 1 3 312.502 2.087 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246341762 402525828 /nfs/dbraw/zinc/52/58/28/402525828.db2.gz OVLLSFJPSVARLE-XHSDSOJGSA-N 1 3 312.502 2.087 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCN3CCCC3)C2)n1 ZINC000179270289 402583311 /nfs/dbraw/zinc/58/33/11/402583311.db2.gz FRFIFCVWEAGACE-QGZVFWFLSA-N 1 3 305.470 2.093 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCN3CCCC3)C2)n1 ZINC000179270289 402583314 /nfs/dbraw/zinc/58/33/14/402583314.db2.gz FRFIFCVWEAGACE-QGZVFWFLSA-N 1 3 305.470 2.093 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000173278384 402690721 /nfs/dbraw/zinc/69/07/21/402690721.db2.gz UTYDXSMHXXUJFT-DZGCQCFKSA-N 1 3 324.513 2.420 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000175106285 402779595 /nfs/dbraw/zinc/77/95/95/402779595.db2.gz PBHJAFANJMCARD-YOEHRIQHSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000175106285 402779598 /nfs/dbraw/zinc/77/95/98/402779598.db2.gz PBHJAFANJMCARD-YOEHRIQHSA-N 1 3 303.450 2.303 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000194691152 402810680 /nfs/dbraw/zinc/81/06/80/402810680.db2.gz RMILIKDLGRYCSL-MSOLQXFVSA-N 1 3 315.461 2.109 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000194691152 402810682 /nfs/dbraw/zinc/81/06/82/402810682.db2.gz RMILIKDLGRYCSL-MSOLQXFVSA-N 1 3 315.461 2.109 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000194148072 402785747 /nfs/dbraw/zinc/78/57/47/402785747.db2.gz ZOLQKZAZPZPWMH-QGZVFWFLSA-N 1 3 324.513 2.282 10 0 DEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000333559161 403780457 /nfs/dbraw/zinc/78/04/57/403780457.db2.gz KPHOOXOTIZNUHT-NCOADZHNSA-N 1 3 316.449 2.001 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323581361 404092885 /nfs/dbraw/zinc/09/28/85/404092885.db2.gz ZCGVUNLSMMWWRT-KRWDZBQOSA-N 1 3 303.450 2.094 10 0 DEAEHO CN1CCC(CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000363850655 404226769 /nfs/dbraw/zinc/22/67/69/404226769.db2.gz PZCMOEXZFOZJMC-QGZVFWFLSA-N 1 3 307.482 2.053 10 0 DEAEHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000397496972 405058393 /nfs/dbraw/zinc/05/83/93/405058393.db2.gz FLFVYJBLVNRMGI-WBVHZDCISA-N 1 3 320.502 2.497 10 0 DEAEHO O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)F ZINC000436287255 405066706 /nfs/dbraw/zinc/06/67/06/405066706.db2.gz ISZJYPQYEDTOMW-QKPAOTATSA-N 1 3 310.388 2.398 10 0 DEAEHO C[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423060821 405697415 /nfs/dbraw/zinc/69/74/15/405697415.db2.gz JBKMMODPVROYLZ-ZYSHUDEJSA-N 1 3 301.478 2.485 10 0 DEAEHO C[NH2+]CCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850419 405713933 /nfs/dbraw/zinc/71/39/33/405713933.db2.gz GCBNOGFUBYBVFT-QGZVFWFLSA-N 1 3 303.450 2.157 10 0 DEAEHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635010081 406398561 /nfs/dbraw/zinc/39/85/61/406398561.db2.gz YAUDMCAKXCOOJF-OYSPMZIOSA-N 1 3 315.461 2.333 10 0 DEAEHO COCCC[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397611542 269106474 /nfs/dbraw/zinc/10/64/74/269106474.db2.gz ZXFGUCGOOVVHGA-QGZVFWFLSA-N 1 3 320.477 2.418 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111826663 278969902 /nfs/dbraw/zinc/96/99/02/278969902.db2.gz NXZNMFLUQPKXDP-INIZCTEOSA-N 1 3 312.502 2.135 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111826666 279123165 /nfs/dbraw/zinc/12/31/65/279123165.db2.gz NXZNMFLUQPKXDP-MRXNPFEDSA-N 1 3 312.502 2.135 10 0 DEAEHO c1nc([C@@H]2CCCO2)sc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576823699 326321995 /nfs/dbraw/zinc/32/19/95/326321995.db2.gz WWEAUROOLPGZRJ-GUTXKFCHSA-N 1 3 307.463 2.426 10 0 DEAEHO OC1CC(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638673 792982365 /nfs/dbraw/zinc/98/23/65/792982365.db2.gz PUYHTDDGTYRZBK-CKGODYTQSA-N 1 3 300.446 2.400 10 0 DEAEHO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000710995321 1086692190 /nfs/dbraw/zinc/69/21/90/1086692190.db2.gz MHXNXDGKDGPPJZ-SZMVWBNQSA-N 1 3 318.461 2.496 10 0 DEAEHO CC(C)(C)OC(=O)N1CC(C[NH2+]CCCN2CCCCC2)C1 ZINC000710974586 1086692311 /nfs/dbraw/zinc/69/23/11/1086692311.db2.gz VMLLMHHJGHOJKR-UHFFFAOYSA-N 1 3 311.470 2.319 10 0 DEAEHO C[N@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903271 282393894 /nfs/dbraw/zinc/39/38/94/282393894.db2.gz ACZHZSWPWYPALC-SFHVURJKSA-N 1 3 320.477 2.135 10 0 DEAEHO C[N@@H+](CC1CCN(C[C@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903271 282393895 /nfs/dbraw/zinc/39/38/95/282393895.db2.gz ACZHZSWPWYPALC-SFHVURJKSA-N 1 3 320.477 2.135 10 0 DEAEHO C[C@H]1CN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CCN1C ZINC000164307124 186155361 /nfs/dbraw/zinc/15/53/61/186155361.db2.gz QXFLOAVJVBHNLU-VIFPVBQESA-N 1 3 300.328 2.130 10 0 DEAEHO CC(C)[NH+](CCCNC(=O)N1CCCN(C2CC2)CC1)C(C)C ZINC000072518516 191186120 /nfs/dbraw/zinc/18/61/20/191186120.db2.gz HCQZVTCPRTYCGT-UHFFFAOYSA-N 1 3 324.513 2.375 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073722623 191347763 /nfs/dbraw/zinc/34/77/63/191347763.db2.gz VFPABFYCNGMQIQ-IFFAKLHKSA-N 1 3 324.513 2.277 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073722623 191347766 /nfs/dbraw/zinc/34/77/66/191347766.db2.gz VFPABFYCNGMQIQ-IFFAKLHKSA-N 1 3 324.513 2.277 10 0 DEAEHO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000381880001 356672944 /nfs/dbraw/zinc/67/29/44/356672944.db2.gz OLEMZFRPVIREMT-GJZGRUSLSA-N 1 3 313.486 2.421 10 0 DEAEHO C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)N1[C@H](C)CC[C@@H]1C ZINC000181205912 199265412 /nfs/dbraw/zinc/26/54/12/199265412.db2.gz YWIMKDFPPPIQRH-MJBXVCDLSA-N 1 3 305.422 2.224 10 0 DEAEHO CCNCc1c(N2CCC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000091393766 193051048 /nfs/dbraw/zinc/05/10/48/193051048.db2.gz NBAQRXQWDQNXOV-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1CNC1CC1 ZINC000092004864 193139636 /nfs/dbraw/zinc/13/96/36/193139636.db2.gz NVPGURKCNHGWHY-KGLIPLIRSA-N 1 3 306.479 2.376 10 0 DEAEHO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)sc1CNC1CC1 ZINC000092004864 193139638 /nfs/dbraw/zinc/13/96/38/193139638.db2.gz NVPGURKCNHGWHY-KGLIPLIRSA-N 1 3 306.479 2.376 10 0 DEAEHO CC[NH2+][C@@H]1[C@H](CN(CCCOC)CCOC)CCC1(C)C ZINC000094317435 193359666 /nfs/dbraw/zinc/35/96/66/193359666.db2.gz VJTSVEOXUXTEPZ-JKSUJKDBSA-N 1 3 300.487 2.386 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000111132553 194394722 /nfs/dbraw/zinc/39/47/22/194394722.db2.gz ILYCZORSBOSEKO-ZDUSSCGKSA-N 1 3 318.234 2.081 10 0 DEAEHO CC[NH+](CC)[C@H]1CCN(c2nc3sccn3c2CNC)C1 ZINC000062967247 184263531 /nfs/dbraw/zinc/26/35/31/184263531.db2.gz KCAUCDIZACQFMQ-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO COc1ccc(C[N@@H+]2CC[C@@H]3CO[C@@H](CN(C)C)[C@@H]3C2)cc1 ZINC000247965911 257112646 /nfs/dbraw/zinc/11/26/46/257112646.db2.gz GKMGDWSOHBLDOI-NXHRZFHOSA-N 1 3 304.434 2.094 10 0 DEAEHO COc1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](CN(C)C)[C@@H]3C2)cc1 ZINC000247965911 257112648 /nfs/dbraw/zinc/11/26/48/257112648.db2.gz GKMGDWSOHBLDOI-NXHRZFHOSA-N 1 3 304.434 2.094 10 0 DEAEHO CN(C)CCOc1cccc(NC(=O)CC2CC[NH+](C)CC2)c1 ZINC000362696466 133246140 /nfs/dbraw/zinc/24/61/40/133246140.db2.gz CRSWPIWYBWSTHO-UHFFFAOYSA-N 1 3 319.449 2.297 10 0 DEAEHO CN1CCC(CC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000362696466 133246141 /nfs/dbraw/zinc/24/61/41/133246141.db2.gz CRSWPIWYBWSTHO-UHFFFAOYSA-N 1 3 319.449 2.297 10 0 DEAEHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000362721931 133247856 /nfs/dbraw/zinc/24/78/56/133247856.db2.gz DCQRJNWSCFYMMS-KRWDZBQOSA-N 1 3 309.498 2.489 10 0 DEAEHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000362721931 133247857 /nfs/dbraw/zinc/24/78/57/133247857.db2.gz DCQRJNWSCFYMMS-KRWDZBQOSA-N 1 3 309.498 2.489 10 0 DEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000245444273 145092387 /nfs/dbraw/zinc/09/23/87/145092387.db2.gz XYCRNLQACXSKQO-ROUUACIJSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000245444273 145092388 /nfs/dbraw/zinc/09/23/88/145092388.db2.gz XYCRNLQACXSKQO-ROUUACIJSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246696362 145110688 /nfs/dbraw/zinc/11/06/88/145110688.db2.gz XNBIQCSNTROXQL-JKSUJKDBSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246696362 145110689 /nfs/dbraw/zinc/11/06/89/145110689.db2.gz XNBIQCSNTROXQL-JKSUJKDBSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000261547905 145207228 /nfs/dbraw/zinc/20/72/28/145207228.db2.gz MTVIRHDNXHLMLW-RDJZCZTQSA-N 1 3 317.477 2.401 10 0 DEAEHO C[C@H](CC(=O)Nc1ccc2c(c1F)CCNC2)[C@@H]1CCC[NH2+]C1 ZINC000261764065 145224035 /nfs/dbraw/zinc/22/40/35/145224035.db2.gz QRCXFSYAPIXXRH-CHWSQXEVSA-N 1 3 319.424 2.436 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000261812350 145229352 /nfs/dbraw/zinc/22/93/52/145229352.db2.gz RXWMKVARIUPDDI-DZOHQFGASA-N 1 3 315.461 2.141 10 0 DEAEHO C[C@H]([NH3+])CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000261877572 145237342 /nfs/dbraw/zinc/23/73/42/145237342.db2.gz SMBOTDHHUAIQCL-WMLDXEAASA-N 1 3 317.477 2.313 10 0 DEAEHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000305877603 145348596 /nfs/dbraw/zinc/34/85/96/145348596.db2.gz SBKSOJPCISNBDD-FGTMMUONSA-N 1 3 300.446 2.402 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111841737 401725796 /nfs/dbraw/zinc/72/57/96/401725796.db2.gz BYQMOKOIKHWJDV-INIZCTEOSA-N 1 3 310.486 2.036 10 0 DEAEHO Cc1cc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)no1 ZINC000047971007 401991325 /nfs/dbraw/zinc/99/13/25/401991325.db2.gz JBMQWMLNUFTHJZ-UHFFFAOYSA-N 1 3 320.437 2.119 10 0 DEAEHO CC1CCN(C(=O)C2CC[NH+](CCCN3CCCC3)CC2)CC1 ZINC000153061868 402124797 /nfs/dbraw/zinc/12/47/97/402124797.db2.gz ROWXVBRJXPRSOR-UHFFFAOYSA-N 1 3 321.509 2.443 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000176414293 402307171 /nfs/dbraw/zinc/30/71/71/402307171.db2.gz GUDYFDARVXABBB-QGZVFWFLSA-N 1 3 324.513 2.234 10 0 DEAEHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176486656 402313548 /nfs/dbraw/zinc/31/35/48/402313548.db2.gz SHSPIXIYWLBWFL-QGZVFWFLSA-N 1 3 322.497 2.129 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1cc(Br)ccc1F ZINC000234729340 402360943 /nfs/dbraw/zinc/36/09/43/402360943.db2.gz HERXKMBPOYMNJB-GFCCVEGCSA-N 1 3 319.218 2.432 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000245467872 402464183 /nfs/dbraw/zinc/46/41/83/402464183.db2.gz KGDFCSPPYOOFSY-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245467872 402464185 /nfs/dbraw/zinc/46/41/85/402464185.db2.gz KGDFCSPPYOOFSY-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246352312 402526808 /nfs/dbraw/zinc/52/68/08/402526808.db2.gz PFFSDSFDNVSXSV-RBSFLKMASA-N 1 3 312.502 2.087 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000246385742 402528741 /nfs/dbraw/zinc/52/87/41/402528741.db2.gz OYCDWPUIIJKQBS-SJORKVTESA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000246385742 402528744 /nfs/dbraw/zinc/52/87/44/402528744.db2.gz OYCDWPUIIJKQBS-SJORKVTESA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249752654 402640592 /nfs/dbraw/zinc/64/05/92/402640592.db2.gz DXJABOYYWHRAAD-IAGOWNOFSA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249752654 402640594 /nfs/dbraw/zinc/64/05/94/402640594.db2.gz DXJABOYYWHRAAD-IAGOWNOFSA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146253 402785640 /nfs/dbraw/zinc/78/56/40/402785640.db2.gz LSVYGVXAGGDCAF-BBWFWOEESA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146253 402785642 /nfs/dbraw/zinc/78/56/42/402785642.db2.gz LSVYGVXAGGDCAF-BBWFWOEESA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000194160093 402786228 /nfs/dbraw/zinc/78/62/28/402786228.db2.gz LPSBEPQYFPZROE-HNNXBMFYSA-N 1 3 310.486 2.033 10 0 DEAEHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CS1 ZINC000397496970 405058211 /nfs/dbraw/zinc/05/82/11/405058211.db2.gz FLFVYJBLVNRMGI-RDJZCZTQSA-N 1 3 320.502 2.497 10 0 DEAEHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000638852135 405715585 /nfs/dbraw/zinc/71/55/85/405715585.db2.gz VDKUMFMEIHMWIZ-ROUUACIJSA-N 1 3 315.461 2.157 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000634724287 406248974 /nfs/dbraw/zinc/24/89/74/406248974.db2.gz NIFKNXAJBWHOMZ-NZSAHSFTSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724287 406248976 /nfs/dbraw/zinc/24/89/76/406248976.db2.gz NIFKNXAJBWHOMZ-NZSAHSFTSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724287 406248980 /nfs/dbraw/zinc/24/89/80/406248980.db2.gz NIFKNXAJBWHOMZ-NZSAHSFTSA-N 1 3 320.477 2.130 10 0 DEAEHO C[C@H]1CSC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507065 269106449 /nfs/dbraw/zinc/10/64/49/269106449.db2.gz JTRXPFAQPCTNGG-DOTOQJQBSA-N 1 3 320.502 2.355 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105174547 279318428 /nfs/dbraw/zinc/31/84/28/279318428.db2.gz BBKDFGDVBBBMQM-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398014377 337303936 /nfs/dbraw/zinc/30/39/36/337303936.db2.gz FMYOHQURMCMFFS-BPQIPLTHSA-N 1 3 315.461 2.155 10 0 DEAEHO CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261846856 535512061 /nfs/dbraw/zinc/51/20/61/535512061.db2.gz AWXOGMZQMRMVCR-BBWFWOEESA-N 1 3 304.434 2.332 10 0 DEAEHO CCN1CC[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054971 622722890 /nfs/dbraw/zinc/72/28/90/622722890.db2.gz GDIZWUOLMYHNCO-LSDHHAIUSA-N 1 3 311.470 2.317 10 0 DEAEHO CC[N@@H+]1CC[C@@H](CNC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054971 622722894 /nfs/dbraw/zinc/72/28/94/622722894.db2.gz GDIZWUOLMYHNCO-LSDHHAIUSA-N 1 3 311.470 2.317 10 0 DEAEHO CC[N@H+]1CC[C@@H](CNC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054971 622722896 /nfs/dbraw/zinc/72/28/96/622722896.db2.gz GDIZWUOLMYHNCO-LSDHHAIUSA-N 1 3 311.470 2.317 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261547803 635892441 /nfs/dbraw/zinc/89/24/41/635892441.db2.gz MTVIRHDNXHLMLW-DOTOQJQBSA-N 1 3 317.477 2.401 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261560371 635900232 /nfs/dbraw/zinc/90/02/32/635900232.db2.gz ZUGAVJCSOVIWDT-OIISXLGYSA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@H]1CCCN(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138087830 282098743 /nfs/dbraw/zinc/09/87/43/282098743.db2.gz IAJHRUYXICNWAF-GTPINHCMSA-N 1 3 324.513 2.138 10 0 DEAEHO NC[C@@]1(Nc2cccc(Br)c2)CC[N@@H+](C2CC2)C1 ZINC000087915085 185237260 /nfs/dbraw/zinc/23/72/60/185237260.db2.gz RBYNBEFMHJROJJ-AWEZNQCLSA-N 1 3 310.239 2.427 10 0 DEAEHO NC[C@@]1(Nc2cccc(Br)c2)CC[N@H+](C2CC2)C1 ZINC000087915085 185237261 /nfs/dbraw/zinc/23/72/61/185237261.db2.gz RBYNBEFMHJROJJ-AWEZNQCLSA-N 1 3 310.239 2.427 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247130305 282478997 /nfs/dbraw/zinc/47/89/97/282478997.db2.gz SGIZSLSUVNUDBC-ARFHVFGLSA-N 1 3 312.502 2.135 10 0 DEAEHO CC[C@H](C)[C@@H]([NH3+])c1c(Br)cnn1CCN(C)C ZINC000159682708 186135319 /nfs/dbraw/zinc/13/53/19/186135319.db2.gz YXVITRKGXAHEEJ-GXSJLCMTSA-N 1 3 303.248 2.253 10 0 DEAEHO CN1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC000333523207 539962539 /nfs/dbraw/zinc/96/25/39/539962539.db2.gz GXEQXQMKQKFJQI-SJJHQCBESA-N 1 3 316.449 2.001 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000057792726 354580161 /nfs/dbraw/zinc/58/01/61/354580161.db2.gz INJHNAFOHUWBSH-MRXNPFEDSA-N 1 3 310.486 2.082 10 0 DEAEHO O=C1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC000390900721 540135842 /nfs/dbraw/zinc/13/58/42/540135842.db2.gz NRPRLYUQHPUKSM-OOKSDGMUSA-N 1 3 313.445 2.050 10 0 DEAEHO O=C1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC000390900721 540135847 /nfs/dbraw/zinc/13/58/47/540135847.db2.gz NRPRLYUQHPUKSM-OOKSDGMUSA-N 1 3 313.445 2.050 10 0 DEAEHO C[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN(CCCOC)CCOC ZINC000079670232 191961381 /nfs/dbraw/zinc/96/13/81/191961381.db2.gz QGANCEPRWTYILD-CVEARBPZSA-N 1 3 300.487 2.386 10 0 DEAEHO NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000152717254 283324969 /nfs/dbraw/zinc/32/49/69/283324969.db2.gz QRAGLSXMNSREHY-ZBFHGGJFSA-N 1 3 307.482 2.417 10 0 DEAEHO C[C@H](NCC1(N2CCCCC2)CC[NH+](C)CC1)c1nccn1C ZINC000183037888 299282926 /nfs/dbraw/zinc/28/29/26/299282926.db2.gz RAFXZPZBGXNDJR-INIZCTEOSA-N 1 3 319.497 2.021 10 0 DEAEHO c1n[nH]cc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000624215875 365337027 /nfs/dbraw/zinc/33/70/27/365337027.db2.gz IFBRSLVQECFOSI-UHFFFAOYSA-N 1 3 313.449 2.102 10 0 DEAEHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc2c1OCCO2 ZINC000092253538 193180501 /nfs/dbraw/zinc/18/05/01/193180501.db2.gz GIMCZWVWSHMFLJ-AWEZNQCLSA-N 1 3 320.433 2.240 10 0 DEAEHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc2c1OCCO2 ZINC000092253538 193180502 /nfs/dbraw/zinc/18/05/02/193180502.db2.gz GIMCZWVWSHMFLJ-AWEZNQCLSA-N 1 3 320.433 2.240 10 0 DEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@H]1c1ccc(Cl)c(F)c1 ZINC000093382451 193240653 /nfs/dbraw/zinc/24/06/53/193240653.db2.gz ZTMVZMJFUWHCDQ-AWEZNQCLSA-N 1 3 312.820 2.492 10 0 DEAEHO CC(C)N(CC(=O)NCc1cccs1)CC1CC[NH2+]CC1 ZINC000094025846 193340137 /nfs/dbraw/zinc/34/01/37/193340137.db2.gz RCTUMXCZKYACHE-UHFFFAOYSA-N 1 3 309.479 2.074 10 0 DEAEHO CC1(C)CCSC[C@@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000094484259 193372431 /nfs/dbraw/zinc/37/24/31/193372431.db2.gz USBIVQNAXOLAAT-QGZVFWFLSA-N 1 3 311.539 2.407 10 0 DEAEHO CC[NH+](CC)CCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000043004582 183326963 /nfs/dbraw/zinc/32/69/63/183326963.db2.gz WWAPIGDKPOYNKV-QGZVFWFLSA-N 1 3 320.481 2.320 10 0 DEAEHO CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCN(C)CC1 ZINC000062709421 184248721 /nfs/dbraw/zinc/24/87/21/184248721.db2.gz PUJNUKLEXZLWAQ-AWEZNQCLSA-N 1 3 301.356 2.130 10 0 DEAEHO Cc1cc(N2CCC(C[NH+](C)C)CC2)c(C(N)=S)c(C)n1 ZINC000156650663 197129952 /nfs/dbraw/zinc/12/99/52/197129952.db2.gz ZKDQXFSYSLBFEV-UHFFFAOYSA-N 1 3 306.479 2.111 10 0 DEAEHO COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000193047049 145081513 /nfs/dbraw/zinc/08/15/13/145081513.db2.gz IKWMDOUVOWHBMQ-GOOCMWNKSA-N 1 3 318.417 2.197 10 0 DEAEHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247473932 145138523 /nfs/dbraw/zinc/13/85/23/145138523.db2.gz HPXYSNKMMVOSFJ-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247473932 145138524 /nfs/dbraw/zinc/13/85/24/145138524.db2.gz HPXYSNKMMVOSFJ-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO CN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261558160 145208190 /nfs/dbraw/zinc/20/81/90/145208190.db2.gz XXYPNSHWEMAJJE-GOSISDBHSA-N 1 3 315.461 2.109 10 0 DEAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309711982 145351185 /nfs/dbraw/zinc/35/11/85/145351185.db2.gz JPUHYTYEZTXYNY-IAGOWNOFSA-N 1 3 303.450 2.142 10 0 DEAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309711982 145351186 /nfs/dbraw/zinc/35/11/86/145351186.db2.gz JPUHYTYEZTXYNY-IAGOWNOFSA-N 1 3 303.450 2.142 10 0 DEAEHO NC(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971879 401991438 /nfs/dbraw/zinc/99/14/38/401991438.db2.gz SEPDLBOTQAJELA-UHFFFAOYSA-N 1 3 301.434 2.093 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1ccc(Br)s1 ZINC000234729855 402360745 /nfs/dbraw/zinc/36/07/45/402360745.db2.gz BFCMCBDQYVGGJG-SECBINFHSA-N 1 3 307.257 2.354 10 0 DEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246012802 402503473 /nfs/dbraw/zinc/50/34/73/402503473.db2.gz KYFGSLWHQRDITR-BZUAXINKSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246352303 402526578 /nfs/dbraw/zinc/52/65/78/402526578.db2.gz PFFSDSFDNVSXSV-KFWWJZLASA-N 1 3 312.502 2.087 10 0 DEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000246522752 402535290 /nfs/dbraw/zinc/53/52/90/402535290.db2.gz VANRCMDQGHKDBD-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000246522752 402535294 /nfs/dbraw/zinc/53/52/94/402535294.db2.gz VANRCMDQGHKDBD-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)N1CCCCCC1 ZINC000246606327 402538134 /nfs/dbraw/zinc/53/81/34/402538134.db2.gz QZMBZRNJGQCRPE-BBWFWOEESA-N 1 3 307.482 2.336 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)N1CCCCCC1 ZINC000246606327 402538138 /nfs/dbraw/zinc/53/81/38/402538138.db2.gz QZMBZRNJGQCRPE-BBWFWOEESA-N 1 3 307.482 2.336 10 0 DEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760498 402748471 /nfs/dbraw/zinc/74/84/71/402748471.db2.gz YFOBZLHGKDMQHP-MOPGFXCFSA-N 1 3 323.525 2.030 10 0 DEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000192760498 402748475 /nfs/dbraw/zinc/74/84/75/402748475.db2.gz YFOBZLHGKDMQHP-MOPGFXCFSA-N 1 3 323.525 2.030 10 0 DEAEHO C([C@@H]1CCOC1)N1CCCC2(CCC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998708 404066410 /nfs/dbraw/zinc/06/64/10/404066410.db2.gz XVOUXMJZMARCPG-ADUPEVMXSA-N 1 3 322.493 2.237 10 0 DEAEHO C([C@@H]1CCOC1)N1CCCC2(CCC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998708 404066419 /nfs/dbraw/zinc/06/64/19/404066419.db2.gz XVOUXMJZMARCPG-ADUPEVMXSA-N 1 3 322.493 2.237 10 0 DEAEHO C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)N(C)Cc1ccccc1 ZINC000634768386 406274456 /nfs/dbraw/zinc/27/44/56/406274456.db2.gz IDJCYGAHLYECRP-AYBZRNKSSA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000525291531 406482729 /nfs/dbraw/zinc/48/27/29/406482729.db2.gz KPEYAJHFLNAAPZ-MRXNPFEDSA-N 1 3 315.461 2.354 10 0 DEAEHO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000525291531 406482733 /nfs/dbraw/zinc/48/27/33/406482733.db2.gz KPEYAJHFLNAAPZ-MRXNPFEDSA-N 1 3 315.461 2.354 10 0 DEAEHO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1CCCCCC1 ZINC000129625808 196063551 /nfs/dbraw/zinc/06/35/51/196063551.db2.gz KBROYHBRBMXIIY-KLAILNCOSA-N 1 3 309.498 2.488 10 0 DEAEHO c1ccc(CN2CCCO[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619069 269098261 /nfs/dbraw/zinc/09/82/61/269098261.db2.gz YZNGCNAMQAKGEA-RBUKOAKNSA-N 1 3 317.477 2.009 10 0 DEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000397688507 269106766 /nfs/dbraw/zinc/10/67/66/269106766.db2.gz OYHNDDMIPQSXKX-AEFFLSMTSA-N 1 3 318.461 2.028 10 0 DEAEHO c1nc([C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814008 275075677 /nfs/dbraw/zinc/07/56/77/275075677.db2.gz PZKSCXJVZZNGEA-CVEARBPZSA-N 1 3 302.466 2.398 10 0 DEAEHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@H](OCC)C23CCOCC3)C1 ZINC000249032409 276014022 /nfs/dbraw/zinc/01/40/22/276014022.db2.gz STNRJEWECLGBEN-IKGGRYGDSA-N 1 3 310.482 2.282 10 0 DEAEHO CC(=O)[C@](C)(O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450494471 277100437 /nfs/dbraw/zinc/10/04/37/277100437.db2.gz MAQOLAFSNRQDSE-MAUKXSAKSA-N 1 3 310.482 2.303 10 0 DEAEHO CC(=O)[C@](C)(O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494471 277100438 /nfs/dbraw/zinc/10/04/38/277100438.db2.gz MAQOLAFSNRQDSE-MAUKXSAKSA-N 1 3 310.482 2.303 10 0 DEAEHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2F)CC[NH2+]1 ZINC000262370273 300396414 /nfs/dbraw/zinc/39/64/14/300396414.db2.gz LQHOBHMXPKJDLR-GJZGRUSLSA-N 1 3 321.440 2.104 10 0 DEAEHO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000157340870 523784796 /nfs/dbraw/zinc/78/47/96/523784796.db2.gz BGZGGPVAGSCPBW-QGZVFWFLSA-N 1 3 303.450 2.239 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000246245530 525432189 /nfs/dbraw/zinc/43/21/89/525432189.db2.gz JHXVMGJPGKAEQX-SPUZQDLCSA-N 1 3 315.461 2.283 10 0 DEAEHO COC[C@@H](CCO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619640 792978587 /nfs/dbraw/zinc/97/85/87/792978587.db2.gz GMHMIQFDRWBCAR-MANSERQUSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@@H](CCO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619640 792978592 /nfs/dbraw/zinc/97/85/92/792978592.db2.gz GMHMIQFDRWBCAR-MANSERQUSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619640 792978598 /nfs/dbraw/zinc/97/85/98/792978598.db2.gz GMHMIQFDRWBCAR-MANSERQUSA-N 1 3 318.461 2.027 10 0 DEAEHO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734582 793005565 /nfs/dbraw/zinc/00/55/65/793005565.db2.gz WEPXOBXBVZCEEM-OWLYRPNTSA-N 1 3 315.461 2.154 10 0 DEAEHO COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000710995320 1086692450 /nfs/dbraw/zinc/69/24/50/1086692450.db2.gz MHXNXDGKDGPPJZ-NXHRZFHOSA-N 1 3 318.461 2.496 10 0 DEAEHO CN(CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CCC(F)(F)F ZINC000088434651 185249925 /nfs/dbraw/zinc/24/99/25/185249925.db2.gz YSOKBXJDGZVZTG-CYBMUJFWSA-N 1 3 309.376 2.037 10 0 DEAEHO COc1ccc(Cl)c2c1CN(C1CCN(C)CC1)[C@H]2C[NH3+] ZINC000071684018 191008193 /nfs/dbraw/zinc/00/81/93/191008193.db2.gz UMHMINMSTDHPSI-AWEZNQCLSA-N 1 3 309.841 2.258 10 0 DEAEHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000245944348 539759443 /nfs/dbraw/zinc/75/94/43/539759443.db2.gz VMUMHJQIUIPDJJ-IXDOHACOSA-N 1 3 312.498 2.407 10 0 DEAEHO C[NH+](C)Cc1cccc(NC(=O)N2CCCN(C3CC3)CC2)c1 ZINC000143850620 186034235 /nfs/dbraw/zinc/03/42/35/186034235.db2.gz FWXWMJXSIOFLRD-UHFFFAOYSA-N 1 3 316.449 2.450 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000398065387 540140373 /nfs/dbraw/zinc/14/03/73/540140373.db2.gz HLLNVASRKYBADY-GOEBONIOSA-N 1 3 301.434 2.037 10 0 DEAEHO CN(CCCNC(=O)C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000309563927 356410257 /nfs/dbraw/zinc/41/02/57/356410257.db2.gz UNSSVCGFHOFOFQ-UHFFFAOYSA-N 1 3 303.450 2.142 10 0 DEAEHO c1cc(OCCC[N@@H+]2CCC[C@H]3CNCC[C@H]32)cc2c1OCO2 ZINC000631886509 368441059 /nfs/dbraw/zinc/44/10/59/368441059.db2.gz IGUBFAAKIQMPJT-GOEBONIOSA-N 1 3 318.417 2.258 10 0 DEAEHO c1cc(OCCC[N@H+]2CCC[C@H]3CNCC[C@H]32)cc2c1OCO2 ZINC000631886509 368441062 /nfs/dbraw/zinc/44/10/62/368441062.db2.gz IGUBFAAKIQMPJT-GOEBONIOSA-N 1 3 318.417 2.258 10 0 DEAEHO COCCNC[C@]1(C[N@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982815 193191648 /nfs/dbraw/zinc/19/16/48/193191648.db2.gz NUFUXCGOXWORCI-WBVHZDCISA-N 1 3 300.487 2.122 10 0 DEAEHO COCCNC[C@]1(C[N@@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982815 193191650 /nfs/dbraw/zinc/19/16/50/193191650.db2.gz NUFUXCGOXWORCI-WBVHZDCISA-N 1 3 300.487 2.122 10 0 DEAEHO COCC[NH2+]C[C@]1(CN(C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982815 193191652 /nfs/dbraw/zinc/19/16/52/193191652.db2.gz NUFUXCGOXWORCI-WBVHZDCISA-N 1 3 300.487 2.122 10 0 DEAEHO Cc1cc(C)n2c(CN(C)CC3CC[NH+](C)CC3)cnc2n1 ZINC000093088947 193201941 /nfs/dbraw/zinc/20/19/41/193201941.db2.gz QQDNFHCVVIWLHP-UHFFFAOYSA-N 1 3 301.438 2.120 10 0 DEAEHO C[NH2+][C@H]1[C@H](CN(CCCOC)CCOC)CCCC1(C)C ZINC000094287543 193356208 /nfs/dbraw/zinc/35/62/08/193356208.db2.gz KRGSOASSEZVGPR-HOTGVXAUSA-N 1 3 300.487 2.386 10 0 DEAEHO CN1CCCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475267 182221401 /nfs/dbraw/zinc/22/14/01/182221401.db2.gz WLDBDLJSBUWYRO-NSHDSACASA-N 1 3 318.284 2.148 10 0 DEAEHO c1cc(C[N@H+]2C[C@@H]3CCN(C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114129 /nfs/dbraw/zinc/11/41/29/257114129.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 1 3 301.434 2.014 10 0 DEAEHO c1cc(C[N@@H+]2C[C@@H]3CCN(C[C@@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954413 257114130 /nfs/dbraw/zinc/11/41/30/257114130.db2.gz ZKXRGQZQRGZTND-KSZLIROESA-N 1 3 301.434 2.014 10 0 DEAEHO CCCOc1ccc(OCC[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193644988 145089100 /nfs/dbraw/zinc/08/91/00/145089100.db2.gz NAYZGGMFNYLWTH-IYBDPMFKSA-N 1 3 304.434 2.348 10 0 DEAEHO CCCOc1ccc(OCC[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193644988 145089102 /nfs/dbraw/zinc/08/91/02/145089102.db2.gz NAYZGGMFNYLWTH-IYBDPMFKSA-N 1 3 304.434 2.348 10 0 DEAEHO CCN(CC)C(=O)CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261914127 145240965 /nfs/dbraw/zinc/24/09/65/145240965.db2.gz YYLNSTWBPVCEQZ-GOSISDBHSA-N 1 3 309.498 2.347 10 0 DEAEHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N1CCCC[C@@H]1C ZINC000262438493 145284608 /nfs/dbraw/zinc/28/46/08/145284608.db2.gz UOQBEJPMOYKWRI-NBOOPKSLSA-N 1 3 307.482 2.145 10 0 DEAEHO COC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000358430351 147132804 /nfs/dbraw/zinc/13/28/04/147132804.db2.gz GYYUHHBOABTXMX-XVLXNVKGSA-N 1 3 318.461 2.433 10 0 DEAEHO COC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OC ZINC000358430351 147132806 /nfs/dbraw/zinc/13/28/06/147132806.db2.gz GYYUHHBOABTXMX-XVLXNVKGSA-N 1 3 318.461 2.433 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000111847455 401725975 /nfs/dbraw/zinc/72/59/75/401725975.db2.gz GAMXSGDPFQQLFQ-KRWDZBQOSA-N 1 3 324.513 2.282 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000123244934 402117614 /nfs/dbraw/zinc/11/76/14/402117614.db2.gz YYUSDMJJOANNJV-WMLDXEAASA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000123244934 402117617 /nfs/dbraw/zinc/11/76/17/402117617.db2.gz YYUSDMJJOANNJV-WMLDXEAASA-N 1 3 303.450 2.303 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000154878108 402236971 /nfs/dbraw/zinc/23/69/71/402236971.db2.gz CRTALKUFTSYMPK-WBVHZDCISA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000154878108 402236975 /nfs/dbraw/zinc/23/69/75/402236975.db2.gz CRTALKUFTSYMPK-WBVHZDCISA-N 1 3 305.466 2.353 10 0 DEAEHO COCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862930 402209931 /nfs/dbraw/zinc/20/99/31/402209931.db2.gz BUEDXQBMHOSECH-LJQANCHMSA-N 1 3 320.477 2.400 10 0 DEAEHO COCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862930 402209932 /nfs/dbraw/zinc/20/99/32/402209932.db2.gz BUEDXQBMHOSECH-LJQANCHMSA-N 1 3 320.477 2.400 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000176971184 402355476 /nfs/dbraw/zinc/35/54/76/402355476.db2.gz JBWAIKJSYXCXRX-QGZVFWFLSA-N 1 3 303.450 2.305 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000176971184 402355479 /nfs/dbraw/zinc/35/54/79/402355479.db2.gz JBWAIKJSYXCXRX-QGZVFWFLSA-N 1 3 303.450 2.305 10 0 DEAEHO N[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237834849 402422790 /nfs/dbraw/zinc/42/27/90/402422790.db2.gz KBTWGXGRHFWBIN-GOSISDBHSA-N 1 3 315.461 2.411 10 0 DEAEHO C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[C@H](N)c1ccccc1 ZINC000186506744 402437563 /nfs/dbraw/zinc/43/75/63/402437563.db2.gz POSBJYAAOPIRNN-QRTARXTBSA-N 1 3 301.434 2.066 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)N1CCCCCC1 ZINC000246606334 402537957 /nfs/dbraw/zinc/53/79/57/402537957.db2.gz QZMBZRNJGQCRPE-GVDBMIGSSA-N 1 3 307.482 2.336 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)N1CCCCCC1 ZINC000246606334 402537959 /nfs/dbraw/zinc/53/79/59/402537959.db2.gz QZMBZRNJGQCRPE-GVDBMIGSSA-N 1 3 307.482 2.336 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249762904 402641131 /nfs/dbraw/zinc/64/11/31/402641131.db2.gz YSIBQJRRQRJERC-HZPDHXFCSA-N 1 3 324.513 2.280 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249762904 402641132 /nfs/dbraw/zinc/64/11/32/402641132.db2.gz YSIBQJRRQRJERC-HZPDHXFCSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[N@H+](CCCN1CCN(C(C)C)CC1)CCc1nccs1 ZINC000192777985 402749538 /nfs/dbraw/zinc/74/95/38/402749538.db2.gz RIMPAZXQIJSUJP-UHFFFAOYSA-N 1 3 324.538 2.424 10 0 DEAEHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1nccs1 ZINC000192777985 402749542 /nfs/dbraw/zinc/74/95/42/402749542.db2.gz RIMPAZXQIJSUJP-UHFFFAOYSA-N 1 3 324.538 2.424 10 0 DEAEHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827147 /nfs/dbraw/zinc/82/71/47/402827147.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 1 3 313.449 2.429 10 0 DEAEHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@H](C)C1 ZINC000175728591 402827148 /nfs/dbraw/zinc/82/71/48/402827148.db2.gz AOXWVKZEGZIEHL-NVXWUHKLSA-N 1 3 313.449 2.429 10 0 DEAEHO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000323788783 404094675 /nfs/dbraw/zinc/09/46/75/404094675.db2.gz GBPZCGNWYFVSPV-SFHVURJKSA-N 1 3 315.461 2.111 10 0 DEAEHO NC1(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000638850771 405713661 /nfs/dbraw/zinc/71/36/61/405713661.db2.gz HHXOJWKCTGTNPT-KRWDZBQOSA-N 1 3 315.461 2.429 10 0 DEAEHO NC1(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000638850771 405713664 /nfs/dbraw/zinc/71/36/64/405713664.db2.gz HHXOJWKCTGTNPT-KRWDZBQOSA-N 1 3 315.461 2.429 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638119769 406581065 /nfs/dbraw/zinc/58/10/65/406581065.db2.gz VTAQFYFIKLUILD-FHLIZLRMSA-N 1 3 313.445 2.061 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303208612 424892714 /nfs/dbraw/zinc/89/27/14/424892714.db2.gz XQQUKJDWEHMDID-KSZLIROESA-N 1 3 315.461 2.142 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303208615 424892765 /nfs/dbraw/zinc/89/27/65/424892765.db2.gz XQQUKJDWEHMDID-RCCFBDPRSA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000333902913 269002703 /nfs/dbraw/zinc/00/27/03/269002703.db2.gz JCLNSHVNDXEENV-IHRRRGAJSA-N 1 3 322.478 2.016 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246563116 279125746 /nfs/dbraw/zinc/12/57/46/279125746.db2.gz BKWAJRGGNLISKM-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246563116 279125748 /nfs/dbraw/zinc/12/57/48/279125748.db2.gz BKWAJRGGNLISKM-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000176249553 279298226 /nfs/dbraw/zinc/29/82/26/279298226.db2.gz XLEDEDHAVDVVMZ-IAGOWNOFSA-N 1 3 324.513 2.234 10 0 DEAEHO CCCCOC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195216787 528626377 /nfs/dbraw/zinc/62/63/77/528626377.db2.gz NSSZJYTYKRQZCS-JFIYKMOQSA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195216787 528626384 /nfs/dbraw/zinc/62/63/84/528626384.db2.gz NSSZJYTYKRQZCS-JFIYKMOQSA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000195216787 528626386 /nfs/dbraw/zinc/62/63/86/528626386.db2.gz NSSZJYTYKRQZCS-JFIYKMOQSA-N 1 3 312.498 2.407 10 0 DEAEHO CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261846860 535512908 /nfs/dbraw/zinc/51/29/08/535512908.db2.gz AWXOGMZQMRMVCR-BRWVUGGUSA-N 1 3 304.434 2.332 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC000358300022 535527056 /nfs/dbraw/zinc/52/70/56/535527056.db2.gz NFXJECUFCKCNFP-RKVPGOIHSA-N 1 3 322.497 2.376 10 0 DEAEHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000232500655 635930538 /nfs/dbraw/zinc/93/05/38/635930538.db2.gz QAKCTPJXOUDRGP-GOEBONIOSA-N 1 3 323.481 2.460 10 0 DEAEHO CCN(C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399495 647473564 /nfs/dbraw/zinc/47/35/64/647473564.db2.gz KTPGSOYGSOWMBY-WMZOPIPTSA-N 1 3 320.477 2.405 10 0 DEAEHO Cc1cc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N)n1 ZINC000398134334 790248795 /nfs/dbraw/zinc/24/87/95/790248795.db2.gz UKGYQVLPGOLXIT-INIZCTEOSA-N 1 3 313.449 2.188 10 0 DEAEHO Cc1cc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(N)n1 ZINC000398134334 790248800 /nfs/dbraw/zinc/24/88/00/790248800.db2.gz UKGYQVLPGOLXIT-INIZCTEOSA-N 1 3 313.449 2.188 10 0 DEAEHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000713005414 792211641 /nfs/dbraw/zinc/21/16/41/792211641.db2.gz UAXYWJYZMXDZCX-DLBZAZTESA-N 1 3 317.477 2.387 10 0 DEAEHO CCN(CC)CCN[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000087912724 185237332 /nfs/dbraw/zinc/23/73/32/185237332.db2.gz LHMYFCKWPKDVPS-CQSZACIVSA-N 1 3 314.271 2.380 10 0 DEAEHO CC(C)CO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181559814 539651805 /nfs/dbraw/zinc/65/18/05/539651805.db2.gz GTCWQACTXLKZPW-YESZJQIVSA-N 1 3 312.498 2.263 10 0 DEAEHO COc1cccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000192950955 539710826 /nfs/dbraw/zinc/71/08/26/539710826.db2.gz RGHGYTBQHSRBPK-CQSZACIVSA-N 1 3 324.440 2.359 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175710097 186191118 /nfs/dbraw/zinc/19/11/18/186191118.db2.gz IDIZBRQDVWRLBI-ZDUSSCGKSA-N 1 3 315.417 2.318 10 0 DEAEHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901096 198004226 /nfs/dbraw/zinc/00/42/26/198004226.db2.gz HPXYSNKMMVOSFJ-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901096 198004228 /nfs/dbraw/zinc/00/42/28/198004228.db2.gz HPXYSNKMMVOSFJ-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO CN1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccccc1 ZINC000333523206 539962238 /nfs/dbraw/zinc/96/22/38/539962238.db2.gz GXEQXQMKQKFJQI-GQGLESIBSA-N 1 3 316.449 2.001 10 0 DEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccccc1 ZINC000333551950 539963240 /nfs/dbraw/zinc/96/32/40/539963240.db2.gz KIEYWMRMYUZQIE-VVLHAWIVSA-N 1 3 316.449 2.001 10 0 DEAEHO CCN1CCN(CCC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182075158 199382959 /nfs/dbraw/zinc/38/29/59/199382959.db2.gz UZFCPENUVYHULS-GOSISDBHSA-N 1 3 303.494 2.482 10 0 DEAEHO [NH3+]C1(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000398050484 540140317 /nfs/dbraw/zinc/14/03/17/540140317.db2.gz WCVYPVIKWVAMQC-MRXNPFEDSA-N 1 3 301.434 2.039 10 0 DEAEHO CSCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000130870572 355845152 /nfs/dbraw/zinc/84/51/52/355845152.db2.gz MZXIWJGRQGVYAE-OAHLLOKOSA-N 1 3 307.463 2.301 10 0 DEAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000400760669 283158482 /nfs/dbraw/zinc/15/84/82/283158482.db2.gz YBQYFCVDEKZJSU-ILXRZTDVSA-N 1 3 313.486 2.419 10 0 DEAEHO CSC1(C[NH3+])CCN(C[C@H]2OCCc3ccccc32)CC1 ZINC000091472967 193061136 /nfs/dbraw/zinc/06/11/36/193061136.db2.gz IFCOMOFMBQUEIU-MRXNPFEDSA-N 1 3 306.475 2.457 10 0 DEAEHO COc1ccc(OCCN2CCC(C[NH3+])(SC)CC2)cc1 ZINC000091473703 193061350 /nfs/dbraw/zinc/06/13/50/193061350.db2.gz KQXUUXDURFRSMT-UHFFFAOYSA-N 1 3 310.463 2.230 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783251 193307480 /nfs/dbraw/zinc/30/74/80/193307480.db2.gz NUMVCWHNHSDDDU-GVDBMIGSSA-N 1 3 300.487 2.407 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@@H]([N@@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783251 193307481 /nfs/dbraw/zinc/30/74/81/193307481.db2.gz NUMVCWHNHSDDDU-GVDBMIGSSA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+][C@]1(CO)CCC[C@@H](N(CCOC)[C@@H](C)CC)C1 ZINC000093783251 193307482 /nfs/dbraw/zinc/30/74/82/193307482.db2.gz NUMVCWHNHSDDDU-GVDBMIGSSA-N 1 3 300.487 2.407 10 0 DEAEHO CC[NH2+][C@H]1[C@H](CN(CCCOC)CCOC)CCC1(C)C ZINC000094317436 193359868 /nfs/dbraw/zinc/35/98/68/193359868.db2.gz VJTSVEOXUXTEPZ-HOTGVXAUSA-N 1 3 300.487 2.386 10 0 DEAEHO C[C@H](C(N)=S)[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000109471381 194267509 /nfs/dbraw/zinc/26/75/09/194267509.db2.gz KEDNIHGRBDHUJR-GFCCVEGCSA-N 1 3 300.431 2.031 10 0 DEAEHO CC[C@@H]1CN(c2cc(Br)ccc2C[NH3+])CCN1C ZINC000110730703 194354643 /nfs/dbraw/zinc/35/46/43/194354643.db2.gz HVYMNMPSSCLVLN-CYBMUJFWSA-N 1 3 312.255 2.438 10 0 DEAEHO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCN(C)C ZINC000111129672 194393380 /nfs/dbraw/zinc/39/33/80/194393380.db2.gz LWGGCDXBZLZXDO-FZMZJTMJSA-N 1 3 314.271 2.331 10 0 DEAEHO C[NH+](C)C[C@H]1CCCN1c1cc(Br)ccc1CN ZINC000061645994 184181184 /nfs/dbraw/zinc/18/11/84/184181184.db2.gz FLRRJPDNJJPDNZ-CYBMUJFWSA-N 1 3 312.255 2.438 10 0 DEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000066125370 184391045 /nfs/dbraw/zinc/39/10/45/184391045.db2.gz GLIYKLJOZLNCKQ-OAHLLOKOSA-N 1 3 321.465 2.087 10 0 DEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000066125370 184391046 /nfs/dbraw/zinc/39/10/46/184391046.db2.gz GLIYKLJOZLNCKQ-OAHLLOKOSA-N 1 3 321.465 2.087 10 0 DEAEHO CCN[C@H](c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158769788 197299855 /nfs/dbraw/zinc/29/98/55/197299855.db2.gz VORYVBJZVCFUPG-LBPRGKRZSA-N 1 3 315.259 2.268 10 0 DEAEHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247473923 145138455 /nfs/dbraw/zinc/13/84/55/145138455.db2.gz HPXYSNKMMVOSFJ-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247473923 145138456 /nfs/dbraw/zinc/13/84/56/145138456.db2.gz HPXYSNKMMVOSFJ-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO CN(C[C@]1(C)CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261679575 145216421 /nfs/dbraw/zinc/21/64/21/145216421.db2.gz AEOQHUSCGDDYPS-LJQANCHMSA-N 1 3 315.461 2.223 10 0 DEAEHO CC1(C)CN(CCC(=O)NCc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261811014 145228968 /nfs/dbraw/zinc/22/89/68/145228968.db2.gz WTYNGIRSHLXDLK-OAHLLOKOSA-N 1 3 323.868 2.406 10 0 DEAEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834946 145232100 /nfs/dbraw/zinc/23/21/00/145232100.db2.gz ULJYLKLWMPPUOO-NRSFXHEJSA-N 1 3 315.461 2.313 10 0 DEAEHO CC1CCC(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000262372494 145279483 /nfs/dbraw/zinc/27/94/83/145279483.db2.gz MFHZTUUMUUAOKK-YZUHTNEWSA-N 1 3 307.482 2.097 10 0 DEAEHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422762148 296622964 /nfs/dbraw/zinc/62/29/64/296622964.db2.gz RVAVFQAZDWMMLJ-WJFTUGDTSA-N 1 3 300.446 2.291 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000152374083 402092534 /nfs/dbraw/zinc/09/25/34/402092534.db2.gz HRGUUVRGYQXOKK-YESZJQIVSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000152374083 402092539 /nfs/dbraw/zinc/09/25/39/402092539.db2.gz HRGUUVRGYQXOKK-YESZJQIVSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1C1CC1 ZINC000122147852 402063661 /nfs/dbraw/zinc/06/36/61/402063661.db2.gz LFUKBRIIUKSAAX-PRLABOORSA-N 1 3 322.497 2.031 10 0 DEAEHO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(OCCN(C)C)cc1 ZINC000154514173 402216225 /nfs/dbraw/zinc/21/62/25/402216225.db2.gz RNLGBNGQHOEGNA-RDJZCZTQSA-N 1 3 305.466 2.372 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000157746916 402298179 /nfs/dbraw/zinc/29/81/79/402298179.db2.gz UCFBEBDQUALVGH-INIZCTEOSA-N 1 3 324.513 2.282 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000162791367 402432179 /nfs/dbraw/zinc/43/21/79/402432179.db2.gz HEXOYWUAQAKEGI-ZHALLVOQSA-N 1 3 318.461 2.151 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000162791367 402432182 /nfs/dbraw/zinc/43/21/82/402432182.db2.gz HEXOYWUAQAKEGI-ZHALLVOQSA-N 1 3 318.461 2.151 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246438657 402531198 /nfs/dbraw/zinc/53/11/98/402531198.db2.gz UBGAQOAQYZWPQZ-DOTOQJQBSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)N1CCCCCC1 ZINC000246606347 402537997 /nfs/dbraw/zinc/53/79/97/402537997.db2.gz QZMBZRNJGQCRPE-ZACQAIPSSA-N 1 3 307.482 2.336 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)N1CCCCCC1 ZINC000246606347 402538000 /nfs/dbraw/zinc/53/80/00/402538000.db2.gz QZMBZRNJGQCRPE-ZACQAIPSSA-N 1 3 307.482 2.336 10 0 DEAEHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@@H]3[C@H]3COCCN3)CC2)C1 ZINC000261841635 402718270 /nfs/dbraw/zinc/71/82/70/402718270.db2.gz ALSGZBGVWISSNO-GBESFXJTSA-N 1 3 321.509 2.140 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(CC)C2)CC1 ZINC000194960075 402824471 /nfs/dbraw/zinc/82/44/71/402824471.db2.gz UARUWUSRMQAZMY-INIZCTEOSA-N 1 3 310.486 2.034 10 0 DEAEHO Cn1c2ccc(C[N@H+](C)CC3CCN(C)CC3)cc2sc1=O ZINC000195007069 402826300 /nfs/dbraw/zinc/82/63/00/402826300.db2.gz XFIVQOFUYCWFQR-UHFFFAOYSA-N 1 3 319.474 2.374 10 0 DEAEHO Cn1c2ccc(C[N@@H+](C)CC3CCN(C)CC3)cc2sc1=O ZINC000195007069 402826301 /nfs/dbraw/zinc/82/63/01/402826301.db2.gz XFIVQOFUYCWFQR-UHFFFAOYSA-N 1 3 319.474 2.374 10 0 DEAEHO NC1(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000638850782 405713518 /nfs/dbraw/zinc/71/35/18/405713518.db2.gz HHXOJWKCTGTNPT-QGZVFWFLSA-N 1 3 315.461 2.429 10 0 DEAEHO NC1(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000638850782 405713519 /nfs/dbraw/zinc/71/35/19/405713519.db2.gz HHXOJWKCTGTNPT-QGZVFWFLSA-N 1 3 315.461 2.429 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638103510 406571551 /nfs/dbraw/zinc/57/15/51/406571551.db2.gz PPPKICJMSOYUNX-OLMNPRSZSA-N 1 3 313.445 2.203 10 0 DEAEHO CCC[NH2+]CC(CC)(CC)CN1CCC(OCCO)CC1 ZINC000129392710 196043804 /nfs/dbraw/zinc/04/38/04/196043804.db2.gz WOPROSWDFLKYMJ-UHFFFAOYSA-N 1 3 300.487 2.266 10 0 DEAEHO CSc1ccc(CN2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC000130627476 196096970 /nfs/dbraw/zinc/09/69/70/196096970.db2.gz MIHCJZJUUUAXJS-MRXNPFEDSA-N 1 3 305.491 2.406 10 0 DEAEHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423011552 230315037 /nfs/dbraw/zinc/31/50/37/230315037.db2.gz JEZOFRWNSFVBKC-BRWVUGGUSA-N 1 3 300.450 2.407 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309897399 424894169 /nfs/dbraw/zinc/89/41/69/424894169.db2.gz GZKOHAXMVCDWDJ-SFHVURJKSA-N 1 3 317.477 2.483 10 0 DEAEHO N[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237835116 527381861 /nfs/dbraw/zinc/38/18/61/527381861.db2.gz RYDJURYTWNZTCM-QGZVFWFLSA-N 1 3 301.434 2.163 10 0 DEAEHO CCC[C@@](C)([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309738539 625548472 /nfs/dbraw/zinc/54/84/72/625548472.db2.gz VDAOSVVSDRHDJX-FUHWJXTLSA-N 1 3 303.450 2.237 10 0 DEAEHO CCC[C@@](C)([NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309738540 625549305 /nfs/dbraw/zinc/54/93/05/625549305.db2.gz VDAOSVVSDRHDJX-SJLPKXTDSA-N 1 3 303.450 2.237 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381828615 685402050 /nfs/dbraw/zinc/40/20/50/685402050.db2.gz IAUHGNLFVNYKAL-BHIYHBOVSA-N 1 3 320.477 2.273 10 0 DEAEHO COC[C@@H](CCO)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619642 792979258 /nfs/dbraw/zinc/97/92/58/792979258.db2.gz GMHMIQFDRWBCAR-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@@H](CCO)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619642 792979269 /nfs/dbraw/zinc/97/92/69/792979269.db2.gz GMHMIQFDRWBCAR-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619642 792979278 /nfs/dbraw/zinc/97/92/78/792979278.db2.gz GMHMIQFDRWBCAR-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CCN[C@H]1COC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495474 185299014 /nfs/dbraw/zinc/29/90/14/185299014.db2.gz YFZRVLWQFOVJJH-SKDRFNHKSA-N 1 3 319.268 2.225 10 0 DEAEHO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000118786026 295716638 /nfs/dbraw/zinc/71/66/38/295716638.db2.gz MSBFENPCSVVHGK-INIZCTEOSA-N 1 3 307.482 2.338 10 0 DEAEHO [NH3+]CC1(CNCc2cc(Br)cs2)CCOCC1 ZINC000138234607 186015253 /nfs/dbraw/zinc/01/52/53/186015253.db2.gz PVCZXBNJKSZQLA-UHFFFAOYSA-N 1 3 319.268 2.356 10 0 DEAEHO NCC1(C[NH2+]Cc2cc(Br)cs2)CCOCC1 ZINC000138234607 186015255 /nfs/dbraw/zinc/01/52/55/186015255.db2.gz PVCZXBNJKSZQLA-UHFFFAOYSA-N 1 3 319.268 2.356 10 0 DEAEHO CC[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262665951 356343671 /nfs/dbraw/zinc/34/36/71/356343671.db2.gz JTABYAWCOOKKKW-KBAYOESNSA-N 1 3 315.461 2.067 10 0 DEAEHO CCCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000359667816 283337968 /nfs/dbraw/zinc/33/79/68/283337968.db2.gz PWKAWYKJCMXOSB-SJORKVTESA-N 1 3 307.482 2.195 10 0 DEAEHO COc1c(C)cnc(CN2CCC(C[NH3+])(SC)CC2)c1C ZINC000091473351 193061413 /nfs/dbraw/zinc/06/14/13/193061413.db2.gz LXKDSWYVPPRFSR-UHFFFAOYSA-N 1 3 309.479 2.363 10 0 DEAEHO C[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)N3C)nc1C1CC1 ZINC000092004876 193139389 /nfs/dbraw/zinc/13/93/89/193139389.db2.gz DEUFDYOFFUECMF-OLZOCXBDSA-N 1 3 306.479 2.413 10 0 DEAEHO COCC[N@H+](CC(C)C)[C@@H]1CCC[C@@](CO)(NC(C)C)C1 ZINC000093782963 193307731 /nfs/dbraw/zinc/30/77/31/193307731.db2.gz ZGTKSLRPDRUWEZ-IAGOWNOFSA-N 1 3 300.487 2.263 10 0 DEAEHO COCC[N@@H+](CC(C)C)[C@@H]1CCC[C@@](CO)(NC(C)C)C1 ZINC000093782963 193307732 /nfs/dbraw/zinc/30/77/32/193307732.db2.gz ZGTKSLRPDRUWEZ-IAGOWNOFSA-N 1 3 300.487 2.263 10 0 DEAEHO COCCN(CC(C)C)[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093782963 193307735 /nfs/dbraw/zinc/30/77/35/193307735.db2.gz ZGTKSLRPDRUWEZ-IAGOWNOFSA-N 1 3 300.487 2.263 10 0 DEAEHO C[NH+](C)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2CN)C1 ZINC000094334351 193360379 /nfs/dbraw/zinc/36/03/79/193360379.db2.gz UQZKCGAAACDLNF-NSHDSACASA-N 1 3 302.344 2.090 10 0 DEAEHO CN1CCCN([C@@H](C[NH3+])c2ccccc2Br)CC1 ZINC000020217712 182198243 /nfs/dbraw/zinc/19/82/43/182198243.db2.gz OSJPZGWORYDMNE-AWEZNQCLSA-N 1 3 312.255 2.086 10 0 DEAEHO O=C([C@H]1CC12CCN(C[C@H]1CCC[NH2+]C1)CC2)N1CCCCC1 ZINC000262000786 284544057 /nfs/dbraw/zinc/54/40/57/284544057.db2.gz UATHGBIRCRGKIG-DLBZAZTESA-N 1 3 319.493 2.101 10 0 DEAEHO CC(C)C[C@H](C)OC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071530 184204564 /nfs/dbraw/zinc/20/45/64/184204564.db2.gz XISCAGMBMMCTHF-IKGGRYGDSA-N 1 3 300.487 2.120 10 0 DEAEHO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071530 184204565 /nfs/dbraw/zinc/20/45/65/184204565.db2.gz XISCAGMBMMCTHF-IKGGRYGDSA-N 1 3 300.487 2.120 10 0 DEAEHO Cc1nc(N2CCC[N@@H+]3CCC[C@@H]3C2)sc1CNC1CC1 ZINC000062942722 184261954 /nfs/dbraw/zinc/26/19/54/184261954.db2.gz PCCHMZKECPDPKB-CQSZACIVSA-N 1 3 306.479 2.378 10 0 DEAEHO Cc1nc(N2CCC[N@H+]3CCC[C@@H]3C2)sc1CNC1CC1 ZINC000062942722 184261956 /nfs/dbraw/zinc/26/19/56/184261956.db2.gz PCCHMZKECPDPKB-CQSZACIVSA-N 1 3 306.479 2.378 10 0 DEAEHO CCCN1CCN([C@]2(C[NH3+])CCC[C@H](C(F)(F)F)C2)CC1 ZINC000069383207 184511505 /nfs/dbraw/zinc/51/15/05/184511505.db2.gz TVIBRVYHANDCGU-UONOGXRCSA-N 1 3 307.404 2.464 10 0 DEAEHO CCN1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402969 145101749 /nfs/dbraw/zinc/10/17/49/145101749.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 1 3 313.449 2.429 10 0 DEAEHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)[C@@H](C)C1 ZINC000246402969 145101750 /nfs/dbraw/zinc/10/17/50/145101750.db2.gz AOXWVKZEGZIEHL-RDJZCZTQSA-N 1 3 313.449 2.429 10 0 DEAEHO CCN(Cc1ccccc1)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000261560065 145207778 /nfs/dbraw/zinc/20/77/78/145207778.db2.gz ZMCGROGEGUBCRC-OAHLLOKOSA-N 1 3 303.450 2.094 10 0 DEAEHO FC(F)(F)Cn1cc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000262063219 145258703 /nfs/dbraw/zinc/25/87/03/145258703.db2.gz RJJPZAQINGEWLJ-UHFFFAOYSA-N 1 3 302.344 2.021 10 0 DEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000111841716 401725911 /nfs/dbraw/zinc/72/59/11/401725911.db2.gz NPBCOUPBFCOQNA-HOTGVXAUSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000111841716 401725913 /nfs/dbraw/zinc/72/59/13/401725913.db2.gz NPBCOUPBFCOQNA-HOTGVXAUSA-N 1 3 324.513 2.280 10 0 DEAEHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919025 401761800 /nfs/dbraw/zinc/76/18/00/401761800.db2.gz UJNSPZGHJAQEFE-KRWDZBQOSA-N 1 3 307.482 2.195 10 0 DEAEHO CN(C[C@H]1CCCN(C)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119094105 401925360 /nfs/dbraw/zinc/92/53/60/401925360.db2.gz MPJCYPSCVNETCH-CGZBRXJRSA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119039593 401920831 /nfs/dbraw/zinc/92/08/31/401920831.db2.gz NMMQCQSKSJCZDF-VXLLPVPCSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000176249575 402294019 /nfs/dbraw/zinc/29/40/19/402294019.db2.gz XLEDEDHAVDVVMZ-SJORKVTESA-N 1 3 324.513 2.234 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000245201846 402452226 /nfs/dbraw/zinc/45/22/26/402452226.db2.gz NDCDGKJYQJMSDR-OAGGEKHMSA-N 1 3 309.498 2.486 10 0 DEAEHO CN1CCC[C@@H]1CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000162694595 402429143 /nfs/dbraw/zinc/42/91/43/402429143.db2.gz JJPOHVINYKWREZ-MRXNPFEDSA-N 1 3 313.449 2.393 10 0 DEAEHO CCCCCNC(=O)[C@@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178304793 402482889 /nfs/dbraw/zinc/48/28/89/402482889.db2.gz OUMOOTPGTFSMHG-GDBMZVCRSA-N 1 3 306.454 2.351 10 0 DEAEHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](C)COC)cc2)CC1 ZINC000187675985 402507741 /nfs/dbraw/zinc/50/77/41/402507741.db2.gz ZPXQANWJIAQQFC-QGZVFWFLSA-N 1 3 319.493 2.196 10 0 DEAEHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000246176516 402515855 /nfs/dbraw/zinc/51/58/55/402515855.db2.gz BQUDBAGSEZVZMP-KZNAEPCWSA-N 1 3 315.461 2.237 10 0 DEAEHO CCC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000248406541 402589762 /nfs/dbraw/zinc/58/97/62/402589762.db2.gz SMJDCUYUQPQCCF-YQQAZPJKSA-N 1 3 309.498 2.486 10 0 DEAEHO CCC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000248406541 402589763 /nfs/dbraw/zinc/58/97/63/402589763.db2.gz SMJDCUYUQPQCCF-YQQAZPJKSA-N 1 3 309.498 2.486 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248572537 402597072 /nfs/dbraw/zinc/59/70/72/402597072.db2.gz CXFBBAFTKWJXBI-IAGOWNOFSA-N 1 3 318.465 2.025 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCOCC2 ZINC000248905270 402614042 /nfs/dbraw/zinc/61/40/42/402614042.db2.gz BAYWDVPNWHKDEK-VVLHAWIVSA-N 1 3 308.466 2.177 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCOCC2 ZINC000248905270 402614043 /nfs/dbraw/zinc/61/40/43/402614043.db2.gz BAYWDVPNWHKDEK-VVLHAWIVSA-N 1 3 308.466 2.177 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000194148336 402785789 /nfs/dbraw/zinc/78/57/89/402785789.db2.gz DXJABOYYWHRAAD-DLBZAZTESA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000194148336 402785792 /nfs/dbraw/zinc/78/57/92/402785792.db2.gz DXJABOYYWHRAAD-DLBZAZTESA-N 1 3 324.513 2.425 10 0 DEAEHO CO[C@@H]1CN(C/C=C\C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342738099 403328615 /nfs/dbraw/zinc/32/86/15/403328615.db2.gz TXEKBEJYXOVQTQ-HFYUZJEPSA-N 1 3 310.482 2.256 10 0 DEAEHO CO[C@@H]1CN(C/C=C\C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342738099 403328620 /nfs/dbraw/zinc/32/86/20/403328620.db2.gz TXEKBEJYXOVQTQ-HFYUZJEPSA-N 1 3 310.482 2.256 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCOCC2 ZINC000248905265 286398724 /nfs/dbraw/zinc/39/87/24/286398724.db2.gz BAYWDVPNWHKDEK-LTIDMASMSA-N 1 3 308.466 2.177 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C12CCOCC2 ZINC000248905265 286398725 /nfs/dbraw/zinc/39/87/25/286398725.db2.gz BAYWDVPNWHKDEK-LTIDMASMSA-N 1 3 308.466 2.177 10 0 DEAEHO [NH3+]CCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379653951 405028073 /nfs/dbraw/zinc/02/80/73/405028073.db2.gz HFHZUYHJYMKNAM-QGZVFWFLSA-N 1 3 303.450 2.286 10 0 DEAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379662726 405028368 /nfs/dbraw/zinc/02/83/68/405028368.db2.gz JCNOBANOLZKXQM-CGTJXYLNSA-N 1 3 315.461 2.155 10 0 DEAEHO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851511 405713671 /nfs/dbraw/zinc/71/36/71/405713671.db2.gz NHNFTPHXOCRCSN-RDJZCZTQSA-N 1 3 303.450 2.155 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)CCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000638103176 406571281 /nfs/dbraw/zinc/57/12/81/406571281.db2.gz LJHKHMCZCPTNHI-QAPCUYQASA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)CCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000638103178 406571662 /nfs/dbraw/zinc/57/16/62/406571662.db2.gz LJHKHMCZCPTNHI-YJBOKZPZSA-N 1 3 315.461 2.155 10 0 DEAEHO [NH3+]CCc1cc(OCCN2CCCC2)ccc1Br ZINC000129201841 196028052 /nfs/dbraw/zinc/02/80/52/196028052.db2.gz ABYUXNAPRXKMBY-UHFFFAOYSA-N 1 3 313.239 2.425 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000398035624 424922704 /nfs/dbraw/zinc/92/27/04/424922704.db2.gz PNNWLXKYOXANKM-KUQKPQIMSA-N 1 3 315.461 2.283 10 0 DEAEHO C[C@H](CC(N)=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192837 269303775 /nfs/dbraw/zinc/30/37/75/269303775.db2.gz QNHKSXXYTYAHFG-MXASKKJJSA-N 1 3 301.434 2.036 10 0 DEAEHO C[C@H](CC(N)=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192837 269303776 /nfs/dbraw/zinc/30/37/76/269303776.db2.gz QNHKSXXYTYAHFG-MXASKKJJSA-N 1 3 301.434 2.036 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000248866400 279395582 /nfs/dbraw/zinc/39/55/82/279395582.db2.gz NIFICXTZUIWNCR-HOTGVXAUSA-N 1 3 303.450 2.237 10 0 DEAEHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2NCCCC2(C)C)cc1 ZINC000261890023 535908667 /nfs/dbraw/zinc/90/86/67/535908667.db2.gz NQEPFFGLRBHQJR-INIZCTEOSA-N 1 3 319.449 2.344 10 0 DEAEHO Cc1cc(NCC2([N@H+](C)Cc3ccccc3)CCC2)nc(N)n1 ZINC000386419503 685417361 /nfs/dbraw/zinc/41/73/61/685417361.db2.gz HJEWYVBRGMSEDI-UHFFFAOYSA-N 1 3 311.433 2.086 10 0 DEAEHO Cc1cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)nc(N)n1 ZINC000386419503 685417364 /nfs/dbraw/zinc/41/73/64/685417364.db2.gz HJEWYVBRGMSEDI-UHFFFAOYSA-N 1 3 311.433 2.086 10 0 DEAEHO OCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)CC1 ZINC000716635419 792982616 /nfs/dbraw/zinc/98/26/16/792982616.db2.gz FSNDGVKGFRZDLT-KSZLIROESA-N 1 3 300.446 2.402 10 0 DEAEHO O[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716639000 792983008 /nfs/dbraw/zinc/98/30/08/792983008.db2.gz RENVAPBMPSSGPP-WNHJNPCNSA-N 1 3 300.446 2.400 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000721944805 1085026982 /nfs/dbraw/zinc/02/69/82/1085026982.db2.gz UMTBYCFGXDIAMS-LVQVYYBASA-N 1 3 323.481 2.458 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000721944805 1085026988 /nfs/dbraw/zinc/02/69/88/1085026988.db2.gz UMTBYCFGXDIAMS-LVQVYYBASA-N 1 3 323.481 2.458 10 0 DEAEHO CC(C)[NH2+][C@@](C)(CCCCN(C)CCC(F)(F)F)C(N)=O ZINC000088434984 185250142 /nfs/dbraw/zinc/25/01/42/185250142.db2.gz PAZUSFKKGIZVKI-ZDUSSCGKSA-N 1 3 311.392 2.283 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842408 282359135 /nfs/dbraw/zinc/35/91/35/282359135.db2.gz NOPWUAQWOCSBCZ-HNNXBMFYSA-N 1 3 324.513 2.423 10 0 DEAEHO CN(C)Cc1ccc2c(c1)[C@H](C[NH3+])N(Cc1nccs1)C2 ZINC000071683820 191007419 /nfs/dbraw/zinc/00/74/19/191007419.db2.gz MCDFWKKOGLZRCU-HNNXBMFYSA-N 1 3 302.447 2.220 10 0 DEAEHO C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@@H]1CN(C)CCN1C ZINC000149590483 186051894 /nfs/dbraw/zinc/05/18/94/186051894.db2.gz MWSFJHPSLYDMAG-CHWSQXEVSA-N 1 3 313.848 2.246 10 0 DEAEHO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CCN1C ZINC000164307003 186154911 /nfs/dbraw/zinc/15/49/11/186154911.db2.gz QXFLOAVJVBHNLU-SECBINFHSA-N 1 3 300.328 2.130 10 0 DEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000073722470 191348359 /nfs/dbraw/zinc/34/83/59/191348359.db2.gz RYJCSUTUQLBDDT-JKSUJKDBSA-N 1 3 312.502 2.088 10 0 DEAEHO O=C([C@@H]1CC12CCN(C[C@@H]1CCC[NH2+]C1)CC2)N1CCCCC1 ZINC000262000792 296001918 /nfs/dbraw/zinc/00/19/18/296001918.db2.gz UATHGBIRCRGKIG-SJORKVTESA-N 1 3 319.493 2.101 10 0 DEAEHO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCCN(C2CCCC2)CC1 ZINC000262643027 296069057 /nfs/dbraw/zinc/06/90/57/296069057.db2.gz LVTMSQDBDHWQQK-JQHSSLGASA-N 1 3 319.493 2.384 10 0 DEAEHO C[NH+](C)[C@@H]1CCCN(c2cc(Br)ccc2CN)C1 ZINC000091393764 193049834 /nfs/dbraw/zinc/04/98/34/193049834.db2.gz AQJQTDIPXVLBBL-CYBMUJFWSA-N 1 3 312.255 2.438 10 0 DEAEHO C[C@@H]1CN(CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631844273 368420684 /nfs/dbraw/zinc/42/06/84/368420684.db2.gz WDHIKHNDPWZWOL-VXGBXAGGSA-N 1 3 313.239 2.355 10 0 DEAEHO C[NH2+][C@@H]1[C@@H](CN(CCCOC)CCOC)CCCC1(C)C ZINC000094287544 193356031 /nfs/dbraw/zinc/35/60/31/193356031.db2.gz KRGSOASSEZVGPR-HZPDHXFCSA-N 1 3 300.487 2.386 10 0 DEAEHO CC[NH2+]C1CCC(N(C)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634026 193385622 /nfs/dbraw/zinc/38/56/22/193385622.db2.gz BISIZFYNLHQCPK-FJBKBRRZSA-N 1 3 316.511 2.195 10 0 DEAEHO C[C@H]1CN2CCCC[C@@H]2CN1Cc1[nH+]c(NN)ccc1Cl ZINC000094442288 193369668 /nfs/dbraw/zinc/36/96/68/193369668.db2.gz ODDMGVUXESDOKZ-NWDGAFQWSA-N 1 3 309.845 2.079 10 0 DEAEHO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCN(C)C ZINC000111129978 194393364 /nfs/dbraw/zinc/39/33/64/194393364.db2.gz SWJYJCLVRISXRB-BXUZGUMPSA-N 1 3 314.271 2.331 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000539417682 285076849 /nfs/dbraw/zinc/07/68/49/285076849.db2.gz RZPNJJIVKDNWRR-UHFFFAOYSA-N 1 3 317.477 2.309 10 0 DEAEHO CN(C)CCN1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@H]2C1 ZINC000247994459 257113582 /nfs/dbraw/zinc/11/35/82/257113582.db2.gz MFODYIQOZXTYFO-RBUKOAKNSA-N 1 3 301.478 2.044 10 0 DEAEHO CN(C)CCN1CC[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]2C1 ZINC000247994459 257113583 /nfs/dbraw/zinc/11/35/83/257113583.db2.gz MFODYIQOZXTYFO-RBUKOAKNSA-N 1 3 301.478 2.044 10 0 DEAEHO O[C@H](Cc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171387135 144809495 /nfs/dbraw/zinc/80/94/95/144809495.db2.gz FDIKWPAVZNWBKX-LJQANCHMSA-N 1 3 302.462 2.398 10 0 DEAEHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C12CCOCC2 ZINC000186374872 144981509 /nfs/dbraw/zinc/98/15/09/144981509.db2.gz FKIYGBLFBXTNSX-LTIDMASMSA-N 1 3 310.482 2.423 10 0 DEAEHO CC(C)[NH2+]CCN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191536047 145060074 /nfs/dbraw/zinc/06/00/74/145060074.db2.gz WQNXNTPDUGZTSL-IRXDYDNUSA-N 1 3 311.514 2.196 10 0 DEAEHO CC(C)OC(=O)c1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193607203 145087540 /nfs/dbraw/zinc/08/75/40/145087540.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 1 3 302.418 2.245 10 0 DEAEHO CC(C)OC(=O)c1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193607203 145087541 /nfs/dbraw/zinc/08/75/41/145087541.db2.gz SGRDIWOBUBDOSU-CALCHBBNSA-N 1 3 302.418 2.245 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247944537 145145419 /nfs/dbraw/zinc/14/54/19/145145419.db2.gz HEXOYWUAQAKEGI-SCTDSRPQSA-N 1 3 318.461 2.151 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247944537 145145421 /nfs/dbraw/zinc/14/54/21/145145421.db2.gz HEXOYWUAQAKEGI-SCTDSRPQSA-N 1 3 318.461 2.151 10 0 DEAEHO CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261550899 145207301 /nfs/dbraw/zinc/20/73/01/145207301.db2.gz PXDNIBWVWWABJR-SJLPKXTDSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@H]1CCCN1C(=O)CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261861154 145234891 /nfs/dbraw/zinc/23/48/91/145234891.db2.gz WHWUSTVSRNLHMN-JQHSSLGASA-N 1 3 315.461 2.062 10 0 DEAEHO NC1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000261951311 145246370 /nfs/dbraw/zinc/24/63/70/145246370.db2.gz ZAVPTRVPBHSRFC-UHFFFAOYSA-N 1 3 317.433 2.119 10 0 DEAEHO CN(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561954 145293672 /nfs/dbraw/zinc/29/36/72/145293672.db2.gz VQMGVXCHSMOKAS-HOTGVXAUSA-N 1 3 303.450 2.184 10 0 DEAEHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763212 148053554 /nfs/dbraw/zinc/05/35/54/148053554.db2.gz HBLJMKFFOJRCMX-FGTMMUONSA-N 1 3 315.461 2.142 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127326861 401729118 /nfs/dbraw/zinc/72/91/18/401729118.db2.gz ZZIPBMUDHBIPJX-GOEBONIOSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@H](CC1CC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112719603 401756482 /nfs/dbraw/zinc/75/64/82/401756482.db2.gz GTVNXARGHARVCC-CQSZACIVSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119039700 401920746 /nfs/dbraw/zinc/92/07/46/401920746.db2.gz NMMQCQSKSJCZDF-OTBWCIGPSA-N 1 3 324.513 2.088 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164736303 402467958 /nfs/dbraw/zinc/46/79/58/402467958.db2.gz NMNRXHNAWNPHOD-WMLDXEAASA-N 1 3 303.450 2.272 10 0 DEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)CC(C)C ZINC000170828191 402530189 /nfs/dbraw/zinc/53/01/89/402530189.db2.gz IVFLQVHJXZOGOO-JKSUJKDBSA-N 1 3 312.502 2.088 10 0 DEAEHO C[C@@H](C(=O)N1CCCN(C2CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178747361 402533786 /nfs/dbraw/zinc/53/37/86/402533786.db2.gz FWBYSMQQGPQLAA-PBHICJAKSA-N 1 3 301.434 2.019 10 0 DEAEHO C[C@@H](C(=O)N1CCCN(C2CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178747381 402533886 /nfs/dbraw/zinc/53/38/86/402533886.db2.gz FWBYSMQQGPQLAA-RHSMWYFYSA-N 1 3 301.434 2.019 10 0 DEAEHO C[C@@H](CCNC(=O)NCCN1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000248373932 402588422 /nfs/dbraw/zinc/58/84/22/402588422.db2.gz MPTUJLPBZBKFCZ-IRXDYDNUSA-N 1 3 324.513 2.425 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000175028918 402772356 /nfs/dbraw/zinc/77/23/56/402772356.db2.gz YQZCKBMIWITZEO-QZTJIDSGSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000175028918 402772358 /nfs/dbraw/zinc/77/23/58/402772358.db2.gz YQZCKBMIWITZEO-QZTJIDSGSA-N 1 3 315.461 2.447 10 0 DEAEHO CC(=O)[C@](C)(O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347752644 403846429 /nfs/dbraw/zinc/84/64/29/403846429.db2.gz KFQCTQIVIAKXCH-LJQANCHMSA-N 1 3 318.461 2.170 10 0 DEAEHO CC(=O)[C@](C)(O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000347752644 403846432 /nfs/dbraw/zinc/84/64/32/403846432.db2.gz KFQCTQIVIAKXCH-LJQANCHMSA-N 1 3 318.461 2.170 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379681896 405029161 /nfs/dbraw/zinc/02/91/61/405029161.db2.gz UOJHLTGIKRIYLI-HHXXYDBFSA-N 1 3 315.461 2.298 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000389875879 405040966 /nfs/dbraw/zinc/04/09/66/405040966.db2.gz LRGIZRPCXBEQSR-FZCLSBEQSA-N 1 3 315.461 2.011 10 0 DEAEHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000635010080 406398525 /nfs/dbraw/zinc/39/85/25/406398525.db2.gz YAUDMCAKXCOOJF-IAAVTCLWSA-N 1 3 315.461 2.333 10 0 DEAEHO CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000638081429 406559899 /nfs/dbraw/zinc/55/98/99/406559899.db2.gz YUNHSAUXRIBHSY-RDJZCZTQSA-N 1 3 303.450 2.155 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256164 406634175 /nfs/dbraw/zinc/63/41/75/406634175.db2.gz CQWNFLYYVDTHNO-NXHRZFHOSA-N 1 3 315.461 2.107 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000572256164 406634179 /nfs/dbraw/zinc/63/41/79/406634179.db2.gz CQWNFLYYVDTHNO-NXHRZFHOSA-N 1 3 315.461 2.107 10 0 DEAEHO CCN1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000363398551 269055762 /nfs/dbraw/zinc/05/57/62/269055762.db2.gz LDQNYQUVHISRFO-UHFFFAOYSA-N 1 3 315.461 2.450 10 0 DEAEHO c1ccc(COCCOCCC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000390581477 269098059 /nfs/dbraw/zinc/09/80/59/269098059.db2.gz PMRUYYHEVQZREK-GOSISDBHSA-N 1 3 306.450 2.342 10 0 DEAEHO C[C@@H]1CSC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507067 269106541 /nfs/dbraw/zinc/10/65/41/269106541.db2.gz JTRXPFAQPCTNGG-NVXWUHKLSA-N 1 3 320.502 2.355 10 0 DEAEHO CO[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495801 269106822 /nfs/dbraw/zinc/10/68/22/269106822.db2.gz PZAWFJSIIIYQCG-CVEARBPZSA-N 1 3 306.450 2.027 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175364700 279332720 /nfs/dbraw/zinc/33/27/20/279332720.db2.gz DTGIJHDXPMPGTF-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](C)COC)cc2)CC1 ZINC000187676004 333236041 /nfs/dbraw/zinc/23/60/41/333236041.db2.gz ZPXQANWJIAQQFC-KRWDZBQOSA-N 1 3 319.493 2.196 10 0 DEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000398112434 337306179 /nfs/dbraw/zinc/30/61/79/337306179.db2.gz DMIMMEUDAZPVCW-CGTJXYLNSA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398163301 337307634 /nfs/dbraw/zinc/30/76/34/337307634.db2.gz SNDPNIFNMNESEG-HHXXYDBFSA-N 1 3 315.461 2.155 10 0 DEAEHO COc1ccccc1N1CCN([C@@H]2C[C@H]3C[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000584627296 337376202 /nfs/dbraw/zinc/37/62/02/337376202.db2.gz RYFNTWUMDXXCPE-ZYGGUILKSA-N 1 3 315.461 2.333 10 0 DEAEHO COCCOCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309886872 625203224 /nfs/dbraw/zinc/20/32/24/625203224.db2.gz ZREMUOJTZUVFMK-CEXWTWQISA-N 1 3 318.461 2.150 10 0 DEAEHO COCCOCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309886872 625203228 /nfs/dbraw/zinc/20/32/28/625203228.db2.gz ZREMUOJTZUVFMK-CEXWTWQISA-N 1 3 318.461 2.150 10 0 DEAEHO COCCOCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309886872 625203230 /nfs/dbraw/zinc/20/32/30/625203230.db2.gz ZREMUOJTZUVFMK-CEXWTWQISA-N 1 3 318.461 2.150 10 0 DEAEHO O[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716638989 792982406 /nfs/dbraw/zinc/98/24/06/792982406.db2.gz RENVAPBMPSSGPP-DSLXNQLJSA-N 1 3 300.446 2.400 10 0 DEAEHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000711285776 1087043084 /nfs/dbraw/zinc/04/30/84/1087043084.db2.gz XMSHGROYCKEGQV-SJORKVTESA-N 1 3 315.461 2.013 10 0 DEAEHO C[NH+](C)CC1CCC(NC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000192769529 282080138 /nfs/dbraw/zinc/08/01/38/282080138.db2.gz GLTRRHBKRDPLEZ-UHFFFAOYSA-N 1 3 307.482 2.097 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000082539576 185190917 /nfs/dbraw/zinc/19/09/17/185190917.db2.gz YRUWWZRDLPOKCK-JTQLQIEISA-N 1 3 306.273 2.004 10 0 DEAEHO NC[C@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000087914747 185237252 /nfs/dbraw/zinc/23/72/52/185237252.db2.gz TVUVAIAMBXOQQR-CQSZACIVSA-N 1 3 310.239 2.427 10 0 DEAEHO NC[C@]1(Nc2ccc(Br)cc2)CC[N@H+](C2CC2)C1 ZINC000087914747 185237253 /nfs/dbraw/zinc/23/72/53/185237253.db2.gz TVUVAIAMBXOQQR-CQSZACIVSA-N 1 3 310.239 2.427 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195128079 282369340 /nfs/dbraw/zinc/36/93/40/282369340.db2.gz POCBOKZQMPRVFN-INIZCTEOSA-N 1 3 310.486 2.034 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195128079 282369343 /nfs/dbraw/zinc/36/93/43/282369343.db2.gz POCBOKZQMPRVFN-INIZCTEOSA-N 1 3 310.486 2.034 10 0 DEAEHO CC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@H]1CN(C)CCN1C ZINC000149610976 186051550 /nfs/dbraw/zinc/05/15/50/186051550.db2.gz OTDKRTUKDLUZSO-SJORKVTESA-N 1 3 309.885 2.497 10 0 DEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)CC(C)C ZINC000171900004 198004278 /nfs/dbraw/zinc/00/42/78/198004278.db2.gz FCPRKSMDZKAHLZ-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399548403 283153254 /nfs/dbraw/zinc/15/32/54/283153254.db2.gz BJLQOIJCTRWXBC-BFYDXBDKSA-N 1 3 305.466 2.243 10 0 DEAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000400760675 283158663 /nfs/dbraw/zinc/15/86/63/283158663.db2.gz YBQYFCVDEKZJSU-QLFBSQMISA-N 1 3 313.486 2.419 10 0 DEAEHO CCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1CNC1CC1 ZINC000091429769 193054950 /nfs/dbraw/zinc/05/49/50/193054950.db2.gz QOGYOGRPCFRDSN-ZDUSSCGKSA-N 1 3 308.495 2.488 10 0 DEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(Cl)c(F)c1 ZINC000093382452 193240849 /nfs/dbraw/zinc/24/08/49/193240849.db2.gz ZTMVZMJFUWHCDQ-CQSZACIVSA-N 1 3 312.820 2.492 10 0 DEAEHO CCCN[C@@]1(CO)CCC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782962 193307781 /nfs/dbraw/zinc/30/77/81/193307781.db2.gz XGYWVPLAKISYGJ-SJORKVTESA-N 1 3 300.487 2.264 10 0 DEAEHO CCCN[C@@]1(CO)CCC[C@@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782962 193307783 /nfs/dbraw/zinc/30/77/83/193307783.db2.gz XGYWVPLAKISYGJ-SJORKVTESA-N 1 3 300.487 2.264 10 0 DEAEHO CCC[NH2+][C@@]1(CO)CCC[C@@H](N(CCOC)CC(C)C)C1 ZINC000093782962 193307785 /nfs/dbraw/zinc/30/77/85/193307785.db2.gz XGYWVPLAKISYGJ-SJORKVTESA-N 1 3 300.487 2.264 10 0 DEAEHO CCC[NH2+]CC1CCN([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644247 193389818 /nfs/dbraw/zinc/38/98/18/193389818.db2.gz SMARNZWVVMWLNM-HZPDHXFCSA-N 1 3 316.511 2.054 10 0 DEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1cc(Br)cs1 ZINC000111130692 194393340 /nfs/dbraw/zinc/39/33/40/194393340.db2.gz KNRZRCJVHGULTQ-NSHDSACASA-N 1 3 320.300 2.394 10 0 DEAEHO C[NH+](C)[C@H]1CCN([C@@H](CN)c2ccc(Br)s2)C1 ZINC000062963996 184263029 /nfs/dbraw/zinc/26/30/29/184263029.db2.gz VYPCYTGKYQZKKB-UWVGGRQHSA-N 1 3 318.284 2.146 10 0 DEAEHO CCN[C@H](CC)c1c(Br)cnn1CC[NH+](C)C ZINC000158736558 197298163 /nfs/dbraw/zinc/29/81/63/197298163.db2.gz YLXLYEGJHAZRPT-LLVKDONJSA-N 1 3 303.248 2.268 10 0 DEAEHO O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261805734 145227915 /nfs/dbraw/zinc/22/79/15/145227915.db2.gz HIMKKMUELKYRPX-CVEARBPZSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261805734 145227917 /nfs/dbraw/zinc/22/79/17/145227917.db2.gz HIMKKMUELKYRPX-CVEARBPZSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261805734 145227918 /nfs/dbraw/zinc/22/79/18/145227918.db2.gz HIMKKMUELKYRPX-CVEARBPZSA-N 1 3 301.434 2.337 10 0 DEAEHO COCC[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230948 148221046 /nfs/dbraw/zinc/22/10/46/148221046.db2.gz OLNKXLSUAVSEEG-CADBVGFASA-N 1 3 318.461 2.169 10 0 DEAEHO COCC[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374230948 148221048 /nfs/dbraw/zinc/22/10/48/148221048.db2.gz OLNKXLSUAVSEEG-CADBVGFASA-N 1 3 318.461 2.169 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000127327061 401729300 /nfs/dbraw/zinc/72/93/00/401729300.db2.gz ZZIPBMUDHBIPJX-HOCLYGCPSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000113579966 401782606 /nfs/dbraw/zinc/78/26/06/401782606.db2.gz UZKXBPCZLNZZRI-JKSUJKDBSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000113579966 401782608 /nfs/dbraw/zinc/78/26/08/401782608.db2.gz UZKXBPCZLNZZRI-JKSUJKDBSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000078434389 401850931 /nfs/dbraw/zinc/85/09/31/401850931.db2.gz XNKSYCJXBCXYTD-RDJZCZTQSA-N 1 3 320.481 2.319 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000078434399 401850935 /nfs/dbraw/zinc/85/09/35/401850935.db2.gz XNKSYCJXBCXYTD-NVXWUHKLSA-N 1 3 320.481 2.319 10 0 DEAEHO C(CN1CCCC[C@@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000125166256 402217251 /nfs/dbraw/zinc/21/72/51/402217251.db2.gz NZSSLGBIJTWEMM-GOSISDBHSA-N 1 3 309.498 2.049 10 0 DEAEHO C(CN1CCCCC1)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000125166256 402217253 /nfs/dbraw/zinc/21/72/53/402217253.db2.gz NZSSLGBIJTWEMM-GOSISDBHSA-N 1 3 309.498 2.049 10 0 DEAEHO C(CN1CCCCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000125166256 402217254 /nfs/dbraw/zinc/21/72/54/402217254.db2.gz NZSSLGBIJTWEMM-GOSISDBHSA-N 1 3 309.498 2.049 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCCN2CC)CC1 ZINC000176296237 402297591 /nfs/dbraw/zinc/29/75/91/402297591.db2.gz WIIXEGYPZANUCG-QGZVFWFLSA-N 1 3 324.513 2.234 10 0 DEAEHO CC(C)N1CCC[C@@H](N2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000177705294 402428551 /nfs/dbraw/zinc/42/85/51/402428551.db2.gz KQORMHTUSQJJCW-QGZVFWFLSA-N 1 3 307.482 2.194 10 0 DEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245898344 402495362 /nfs/dbraw/zinc/49/53/62/402495362.db2.gz REOXWPFYWXGLRQ-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246472372 402532428 /nfs/dbraw/zinc/53/24/28/402532428.db2.gz VLQZBYIEUHHENU-QZWWFDLISA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246472372 402532431 /nfs/dbraw/zinc/53/24/31/402532431.db2.gz VLQZBYIEUHHENU-QZWWFDLISA-N 1 3 324.513 2.231 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCN3CCCC3)C2)n1 ZINC000179270301 402583631 /nfs/dbraw/zinc/58/36/31/402583631.db2.gz FRFIFCVWEAGACE-KRWDZBQOSA-N 1 3 305.470 2.093 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCN3CCCC3)C2)n1 ZINC000179270301 402583633 /nfs/dbraw/zinc/58/36/33/402583633.db2.gz FRFIFCVWEAGACE-KRWDZBQOSA-N 1 3 305.470 2.093 10 0 DEAEHO CCCCOC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248652327 402601741 /nfs/dbraw/zinc/60/17/41/402601741.db2.gz NSSZJYTYKRQZCS-SOLBZPMBSA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248652327 402601743 /nfs/dbraw/zinc/60/17/43/402601743.db2.gz NSSZJYTYKRQZCS-SOLBZPMBSA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248652327 402601745 /nfs/dbraw/zinc/60/17/45/402601745.db2.gz NSSZJYTYKRQZCS-SOLBZPMBSA-N 1 3 312.498 2.407 10 0 DEAEHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000173669312 402707560 /nfs/dbraw/zinc/70/75/60/402707560.db2.gz UFCPMOALFPLLQL-NVXWUHKLSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000174174106 402730237 /nfs/dbraw/zinc/73/02/37/402730237.db2.gz GYBVFXJIWMRNNF-IXDOHACOSA-N 1 3 324.513 2.233 10 0 DEAEHO Cn1c2ccc(C[NH2+]C[C@@H]3CCCN(C)C3)cc2sc1=O ZINC000192560383 402737287 /nfs/dbraw/zinc/73/72/87/402737287.db2.gz GXLBKDJPBOKNPE-ZDUSSCGKSA-N 1 3 305.447 2.031 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074492934 279332698 /nfs/dbraw/zinc/33/26/98/279332698.db2.gz GESXQMZGPVEJSR-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO NC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237798326 295261032 /nfs/dbraw/zinc/26/10/32/295261032.db2.gz WFNLHQJVSGKWMS-SFHVURJKSA-N 1 3 315.461 2.063 10 0 DEAEHO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)n1 ZINC000379700228 685392294 /nfs/dbraw/zinc/39/22/94/685392294.db2.gz RPMZUMKUEYJVJI-GDBMZVCRSA-N 1 3 311.433 2.084 10 0 DEAEHO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(N)n1 ZINC000379700228 685392299 /nfs/dbraw/zinc/39/22/99/685392299.db2.gz RPMZUMKUEYJVJI-GDBMZVCRSA-N 1 3 311.433 2.084 10 0 DEAEHO CNC(=O)C[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734590 793005180 /nfs/dbraw/zinc/00/51/80/793005180.db2.gz WEPXOBXBVZCEEM-UBDQQSCGSA-N 1 3 315.461 2.154 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000721944807 1085026238 /nfs/dbraw/zinc/02/62/38/1085026238.db2.gz UMTBYCFGXDIAMS-QKPAOTATSA-N 1 3 323.481 2.458 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000721944807 1085026246 /nfs/dbraw/zinc/02/62/46/1085026246.db2.gz UMTBYCFGXDIAMS-QKPAOTATSA-N 1 3 323.481 2.458 10 0 DEAEHO C[C@@H]1CCCN(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138087727 282098694 /nfs/dbraw/zinc/09/86/94/282098694.db2.gz IAJHRUYXICNWAF-KLAILNCOSA-N 1 3 324.513 2.138 10 0 DEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC000073079178 191277734 /nfs/dbraw/zinc/27/77/34/191277734.db2.gz FHSGAUMNRMPCEX-QGZVFWFLSA-N 1 3 305.466 2.454 10 0 DEAEHO [NH3+]C1(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000398050482 540140543 /nfs/dbraw/zinc/14/05/43/540140543.db2.gz WCVYPVIKWVAMQC-INIZCTEOSA-N 1 3 301.434 2.039 10 0 DEAEHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447552 283156887 /nfs/dbraw/zinc/15/68/87/283156887.db2.gz NXCVKRBBAVDROC-HOCLYGCPSA-N 1 3 323.481 2.483 10 0 DEAEHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1c1cccs1 ZINC000607671307 361103839 /nfs/dbraw/zinc/10/38/39/361103839.db2.gz DDUZNMSMGSXPRH-DZKIICNBSA-N 1 3 321.490 2.199 10 0 DEAEHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1cccs1 ZINC000607671307 361103845 /nfs/dbraw/zinc/10/38/45/361103845.db2.gz DDUZNMSMGSXPRH-DZKIICNBSA-N 1 3 321.490 2.199 10 0 DEAEHO CCN(CC(C)(C)O)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000092983389 193191855 /nfs/dbraw/zinc/19/18/55/193191855.db2.gz IYSFFOJYIQGFDX-KRWDZBQOSA-N 1 3 300.487 2.264 10 0 DEAEHO CCN(CC(C)(C)O)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000092983420 193191919 /nfs/dbraw/zinc/19/19/19/193191919.db2.gz UIUKYSHEYZKYRT-UHFFFAOYSA-N 1 3 300.487 2.122 10 0 DEAEHO CCN(CC(=O)N[C@@H](C)c1cccs1)CC1CC[NH2+]CC1 ZINC000094024936 193339744 /nfs/dbraw/zinc/33/97/44/193339744.db2.gz LJFJINUEMWWIOX-ZDUSSCGKSA-N 1 3 309.479 2.247 10 0 DEAEHO c1cc2c(c(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c1)OCO2 ZINC000530248080 284385374 /nfs/dbraw/zinc/38/53/74/284385374.db2.gz FPSRPKPRUNUCMC-MRXNPFEDSA-N 1 3 318.417 2.006 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000111132888 194394339 /nfs/dbraw/zinc/39/43/39/194394339.db2.gz PGFBFESCGMRAHV-ZDUSSCGKSA-N 1 3 305.344 2.078 10 0 DEAEHO CCCN[C@@H](C)c1c(Br)cnn1CC[NH+](C)C ZINC000158739470 197298191 /nfs/dbraw/zinc/29/81/91/197298191.db2.gz RTDHXYMSVIZESO-JTQLQIEISA-N 1 3 303.248 2.268 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245908790 285265118 /nfs/dbraw/zinc/26/51/18/285265118.db2.gz IOGDMYSUGLURDD-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO CC1(C)CN(CCC(=O)NCc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261811013 145229287 /nfs/dbraw/zinc/22/92/87/145229287.db2.gz WTYNGIRSHLXDLK-HNNXBMFYSA-N 1 3 323.868 2.406 10 0 DEAEHO C[N@@H+](Cc1cnc(N)s1)CC1CCN(c2ccncc2)CC1 ZINC000261946470 145245533 /nfs/dbraw/zinc/24/55/33/145245533.db2.gz FKFAJSFRWMYYRC-UHFFFAOYSA-N 1 3 317.462 2.469 10 0 DEAEHO C[N@H+](Cc1cnc(N)s1)CC1CCN(c2ccncc2)CC1 ZINC000261946470 145245534 /nfs/dbraw/zinc/24/55/34/145245534.db2.gz FKFAJSFRWMYYRC-UHFFFAOYSA-N 1 3 317.462 2.469 10 0 DEAEHO CN(Cc1cnc(N)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000261946470 145245536 /nfs/dbraw/zinc/24/55/36/145245536.db2.gz FKFAJSFRWMYYRC-UHFFFAOYSA-N 1 3 317.462 2.469 10 0 DEAEHO NCc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073621 145322861 /nfs/dbraw/zinc/32/28/61/145322861.db2.gz ZZHBZKFKJITNBH-MWLCHTKSSA-N 1 3 301.312 2.230 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000129154736 401799712 /nfs/dbraw/zinc/79/97/12/401799712.db2.gz OYCDWPUIIJKQBS-DLBZAZTESA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000129154736 401799714 /nfs/dbraw/zinc/79/97/14/401799714.db2.gz OYCDWPUIIJKQBS-DLBZAZTESA-N 1 3 324.513 2.138 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362897 401914527 /nfs/dbraw/zinc/91/45/27/401914527.db2.gz ATRZJDNPSJNUJR-CABCVRRESA-N 1 3 314.518 2.238 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1C1CC1 ZINC000122147446 402063727 /nfs/dbraw/zinc/06/37/27/402063727.db2.gz LFUKBRIIUKSAAX-LMPOIIKSSA-N 1 3 322.497 2.031 10 0 DEAEHO C[C@H](C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)[C@@H](N)c1ccccc1 ZINC000186506779 402437446 /nfs/dbraw/zinc/43/74/46/402437446.db2.gz POSBJYAAOPIRNN-JLJPHGGASA-N 1 3 301.434 2.066 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000177333361 402392179 /nfs/dbraw/zinc/39/21/79/402392179.db2.gz XXEIFJPIQORUJE-OAHLLOKOSA-N 1 3 324.513 2.421 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000246099618 402510039 /nfs/dbraw/zinc/51/00/39/402510039.db2.gz HCIVTRSFWWNORE-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000246099618 402510042 /nfs/dbraw/zinc/51/00/42/402510042.db2.gz HCIVTRSFWWNORE-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO CN(C(=O)[C@H]1CCC[C@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167668180 402493219 /nfs/dbraw/zinc/49/32/19/402493219.db2.gz HSWWAPHREYXKRU-ZWKOTPCHSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170833473 402531130 /nfs/dbraw/zinc/53/11/30/402531130.db2.gz KYFGSLWHQRDITR-XHSDSOJGSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170833473 402531132 /nfs/dbraw/zinc/53/11/32/402531132.db2.gz KYFGSLWHQRDITR-XHSDSOJGSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000246472394 402532460 /nfs/dbraw/zinc/53/24/60/402532460.db2.gz VLQZBYIEUHHENU-YYIAUSFCSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000246472394 402532463 /nfs/dbraw/zinc/53/24/63/402532463.db2.gz VLQZBYIEUHHENU-YYIAUSFCSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](NC[C@@H](O)COC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560024 402595670 /nfs/dbraw/zinc/59/56/70/402595670.db2.gz JFKNBGKIDGOUHU-YQQAZPJKSA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H](NC[C@@H](O)COC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560024 402595672 /nfs/dbraw/zinc/59/56/72/402595672.db2.gz JFKNBGKIDGOUHU-YQQAZPJKSA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000248560024 402595676 /nfs/dbraw/zinc/59/56/76/402595676.db2.gz JFKNBGKIDGOUHU-YQQAZPJKSA-N 1 3 312.498 2.405 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171633513 402603920 /nfs/dbraw/zinc/60/39/20/402603920.db2.gz XLWYCXFNRSJAGQ-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO CC(=O)[C@@](C)(O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347752643 403846648 /nfs/dbraw/zinc/84/66/48/403846648.db2.gz KFQCTQIVIAKXCH-IBGZPJMESA-N 1 3 318.461 2.170 10 0 DEAEHO CC(=O)[C@@](C)(O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000347752643 403846653 /nfs/dbraw/zinc/84/66/53/403846653.db2.gz KFQCTQIVIAKXCH-IBGZPJMESA-N 1 3 318.461 2.170 10 0 DEAEHO c1ccc(CCN2CCC([NH2+]CCCN3CCC3)CC2)cc1 ZINC000568236278 292324583 /nfs/dbraw/zinc/32/45/83/292324583.db2.gz GMDIVQCWYGRXNB-UHFFFAOYSA-N 1 3 301.478 2.379 10 0 DEAEHO CC[NH+](CC)CC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446616665 405386501 /nfs/dbraw/zinc/38/65/01/405386501.db2.gz DJMANFJADFVRDT-UHFFFAOYSA-N 1 3 324.513 2.234 10 0 DEAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC1=CCOCC1 ZINC000423161861 405708048 /nfs/dbraw/zinc/70/80/48/405708048.db2.gz SPXMCRCYWJQPLB-AEFFLSMTSA-N 1 3 300.402 2.179 10 0 DEAEHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000638852527 405715574 /nfs/dbraw/zinc/71/55/74/405715574.db2.gz YCJHKXMOWFHFET-MSOLQXFVSA-N 1 3 315.461 2.299 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000634724288 406248619 /nfs/dbraw/zinc/24/86/19/406248619.db2.gz NIFKNXAJBWHOMZ-QXAKKESOSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724288 406248622 /nfs/dbraw/zinc/24/86/22/406248622.db2.gz NIFKNXAJBWHOMZ-QXAKKESOSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724288 406248624 /nfs/dbraw/zinc/24/86/24/406248624.db2.gz NIFKNXAJBWHOMZ-QXAKKESOSA-N 1 3 320.477 2.130 10 0 DEAEHO C(N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012405 406399244 /nfs/dbraw/zinc/39/92/44/406399244.db2.gz MIVCMFAZIHALBH-BSDSXHPESA-N 1 3 322.493 2.473 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000129209405 196029604 /nfs/dbraw/zinc/02/96/04/196029604.db2.gz MKVKCFXQPBVZSZ-IKGGRYGDSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129209405 196029606 /nfs/dbraw/zinc/02/96/06/196029606.db2.gz MKVKCFXQPBVZSZ-IKGGRYGDSA-N 1 3 324.513 2.233 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303208610 424892720 /nfs/dbraw/zinc/89/27/20/424892720.db2.gz XQQUKJDWEHMDID-BZSNNMDCSA-N 1 3 315.461 2.142 10 0 DEAEHO c1ccc(CN2CCCO[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619066 269098115 /nfs/dbraw/zinc/09/81/15/269098115.db2.gz YZNGCNAMQAKGEA-OALUTQOASA-N 1 3 317.477 2.009 10 0 DEAEHO COCC[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397486150 269106707 /nfs/dbraw/zinc/10/67/07/269106707.db2.gz CCPOIJYLQBKWGJ-INIZCTEOSA-N 1 3 306.450 2.028 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246410845 279333241 /nfs/dbraw/zinc/33/32/41/279333241.db2.gz SAGFMAHGHWERFH-IKGGRYGDSA-N 1 3 322.497 2.127 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246410845 279333242 /nfs/dbraw/zinc/33/32/42/279333242.db2.gz SAGFMAHGHWERFH-IKGGRYGDSA-N 1 3 322.497 2.127 10 0 DEAEHO C[C@@H]1CN(C[C@@H]2CCCN2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000170794129 297018323 /nfs/dbraw/zinc/01/83/23/297018323.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCCN2CCCC2)C[C@H](C)O1 ZINC000170794129 297018324 /nfs/dbraw/zinc/01/83/24/297018324.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCCN2CCCC2)C[C@H](C)O1 ZINC000170794129 297018325 /nfs/dbraw/zinc/01/83/25/297018325.db2.gz BWJHEYZRPOCLNR-KSZLIROESA-N 1 3 309.498 2.046 10 0 DEAEHO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2NCCCC2(C)C)c1 ZINC000261605186 535913275 /nfs/dbraw/zinc/91/32/75/535913275.db2.gz AFUCQWDUSCVPFD-MRXNPFEDSA-N 1 3 319.449 2.344 10 0 DEAEHO COCC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619792 792979167 /nfs/dbraw/zinc/97/91/67/792979167.db2.gz HWCXXLAXXNRPHY-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1CNC ZINC000092633210 185330441 /nfs/dbraw/zinc/33/04/41/185330441.db2.gz DFGJESJKXKHLAX-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1CNC ZINC000092633210 185330442 /nfs/dbraw/zinc/33/04/42/185330442.db2.gz DFGJESJKXKHLAX-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CC[NH2+][C@H](Cc1ccc(Cl)cc1)C[C@@H]1CN(C)CCN1C ZINC000149610627 186051359 /nfs/dbraw/zinc/05/13/59/186051359.db2.gz OTDKRTUKDLUZSO-IAGOWNOFSA-N 1 3 309.885 2.497 10 0 DEAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000302966404 539861053 /nfs/dbraw/zinc/86/10/53/539861053.db2.gz WANXACUDAYNDEC-KRWDZBQOSA-N 1 3 315.461 2.157 10 0 DEAEHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000400760677 283158530 /nfs/dbraw/zinc/15/85/30/283158530.db2.gz YBQYFCVDEKZJSU-RBSFLKMASA-N 1 3 313.486 2.419 10 0 DEAEHO C[C@H]1CN(CCOc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000631844271 368421205 /nfs/dbraw/zinc/42/12/05/368421205.db2.gz WDHIKHNDPWZWOL-NWDGAFQWSA-N 1 3 313.239 2.355 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782961 193307755 /nfs/dbraw/zinc/30/77/55/193307755.db2.gz XGYWVPLAKISYGJ-IAGOWNOFSA-N 1 3 300.487 2.264 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782961 193307757 /nfs/dbraw/zinc/30/77/57/193307757.db2.gz XGYWVPLAKISYGJ-IAGOWNOFSA-N 1 3 300.487 2.264 10 0 DEAEHO CCC[NH2+][C@]1(CO)CCC[C@@H](N(CCOC)CC(C)C)C1 ZINC000093782961 193307758 /nfs/dbraw/zinc/30/77/58/193307758.db2.gz XGYWVPLAKISYGJ-IAGOWNOFSA-N 1 3 300.487 2.264 10 0 DEAEHO CNC(=O)C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383342 245104150 /nfs/dbraw/zinc/10/41/50/245104150.db2.gz SMFNWWREVXMGTH-LEUOFYLZSA-N 1 3 315.461 2.296 10 0 DEAEHO CNC(=O)C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383342 245104161 /nfs/dbraw/zinc/10/41/61/245104161.db2.gz SMFNWWREVXMGTH-LEUOFYLZSA-N 1 3 315.461 2.296 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104773249 194037094 /nfs/dbraw/zinc/03/70/94/194037094.db2.gz RJIADYCLNIBHPZ-HNNXBMFYSA-N 1 3 310.486 2.034 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104773249 194037096 /nfs/dbraw/zinc/03/70/96/194037096.db2.gz RJIADYCLNIBHPZ-HNNXBMFYSA-N 1 3 310.486 2.034 10 0 DEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1ccc(Br)s1 ZINC000111131048 194393428 /nfs/dbraw/zinc/39/34/28/194393428.db2.gz HSCGLXMTNNTNTR-JTQLQIEISA-N 1 3 320.300 2.394 10 0 DEAEHO C[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCN(C)C ZINC000111130501 194393652 /nfs/dbraw/zinc/39/36/52/194393652.db2.gz SHSXFDGHEZGJJV-JOYOIKCWSA-N 1 3 320.300 2.392 10 0 DEAEHO CCCC1(CN2CCN(c3nccs3)CC2)CC[NH2+]CC1 ZINC000062850556 184256735 /nfs/dbraw/zinc/25/67/35/184256735.db2.gz OIZMYUYYYGJGDS-UHFFFAOYSA-N 1 3 308.495 2.435 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245665502 285285769 /nfs/dbraw/zinc/28/57/69/285285769.db2.gz DTGIJHDXPMPGTF-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1CCC[C@@](CNC(=O)CC2CCN(C)CC2)([NH+](C)C)C1 ZINC000362605751 133241300 /nfs/dbraw/zinc/24/13/00/133241300.db2.gz IIMSQWMJLZMZPI-CRAIPNDOSA-N 1 3 309.498 2.345 10 0 DEAEHO COc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247970511 145145622 /nfs/dbraw/zinc/14/56/22/145145622.db2.gz HGZNUFKPCSAOFW-MAUKXSAKSA-N 1 3 304.434 2.490 10 0 DEAEHO COc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247970511 145145624 /nfs/dbraw/zinc/14/56/24/145145624.db2.gz HGZNUFKPCSAOFW-MAUKXSAKSA-N 1 3 304.434 2.490 10 0 DEAEHO CCN(C(=O)CN(C)C1CC2CCC(C1)[NH2+]2)c1ccccc1 ZINC000261977220 145249402 /nfs/dbraw/zinc/24/94/02/145249402.db2.gz QVNJTUARSQSDTA-FKEKPDDDSA-N 1 3 301.434 2.254 10 0 DEAEHO C(c1nnc(C2CC2)n1C1CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565717385 292177420 /nfs/dbraw/zinc/17/74/20/292177420.db2.gz XNUDIUFOGMHHKW-KRWDZBQOSA-N 1 3 301.438 2.066 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073722621 401720525 /nfs/dbraw/zinc/72/05/25/401720525.db2.gz VFPABFYCNGMQIQ-YNBOMUFVSA-N 1 3 324.513 2.277 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073722621 401720526 /nfs/dbraw/zinc/72/05/26/401720526.db2.gz VFPABFYCNGMQIQ-YNBOMUFVSA-N 1 3 324.513 2.277 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000113231448 401771301 /nfs/dbraw/zinc/77/13/01/401771301.db2.gz STNDPNAHEWOQOP-WMLDXEAASA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000113231448 401771303 /nfs/dbraw/zinc/77/13/03/401771303.db2.gz STNDPNAHEWOQOP-WMLDXEAASA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(F)cc(F)c2)CC1 ZINC000121082707 402014136 /nfs/dbraw/zinc/01/41/36/402014136.db2.gz FLLCKASCHDJIRJ-CYBMUJFWSA-N 1 3 312.404 2.489 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497296 402043040 /nfs/dbraw/zinc/04/30/40/402043040.db2.gz GEQZDNUDEHNVQP-CYBMUJFWSA-N 1 3 310.486 2.079 10 0 DEAEHO CC(=O)CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106128318 402212712 /nfs/dbraw/zinc/21/27/12/402212712.db2.gz QQQUWEONJFNDJN-IBGZPJMESA-N 1 3 318.461 2.343 10 0 DEAEHO CC(=O)CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106128318 402212715 /nfs/dbraw/zinc/21/27/15/402212715.db2.gz QQQUWEONJFNDJN-IBGZPJMESA-N 1 3 318.461 2.343 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000176139617 402282588 /nfs/dbraw/zinc/28/25/88/402282588.db2.gz SUZSQFKDQBPURO-INIZCTEOSA-N 1 3 312.502 2.231 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000176278119 402296157 /nfs/dbraw/zinc/29/61/57/402296157.db2.gz ZHGWEIBGFARXDE-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000176278119 402296159 /nfs/dbraw/zinc/29/61/59/402296159.db2.gz ZHGWEIBGFARXDE-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000245444272 402461043 /nfs/dbraw/zinc/46/10/43/402461043.db2.gz XYCRNLQACXSKQO-MSOLQXFVSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000245444272 402461045 /nfs/dbraw/zinc/46/10/45/402461045.db2.gz XYCRNLQACXSKQO-MSOLQXFVSA-N 1 3 315.461 2.447 10 0 DEAEHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245681296 402478659 /nfs/dbraw/zinc/47/86/59/402478659.db2.gz VGZVNMNPEHEAOQ-IRXDYDNUSA-N 1 3 318.465 2.071 10 0 DEAEHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245681296 402478660 /nfs/dbraw/zinc/47/86/60/402478660.db2.gz VGZVNMNPEHEAOQ-IRXDYDNUSA-N 1 3 318.465 2.071 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246721414 402542028 /nfs/dbraw/zinc/54/20/28/402542028.db2.gz YSJAVPPKEXXTBQ-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246721414 402542031 /nfs/dbraw/zinc/54/20/31/402542031.db2.gz YSJAVPPKEXXTBQ-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246438844 402531459 /nfs/dbraw/zinc/53/14/59/402531459.db2.gz KAZLWPJOGCMSCX-OWCLPIDISA-N 1 3 310.486 2.033 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCCN1CC ZINC000246485677 402533160 /nfs/dbraw/zinc/53/31/60/402533160.db2.gz VZBFWJTWFZYXCJ-ZACQAIPSSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCCN1CC ZINC000246485677 402533163 /nfs/dbraw/zinc/53/31/63/402533163.db2.gz VZBFWJTWFZYXCJ-ZACQAIPSSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnn(C(C)(C)C)c2)CC1 ZINC000179518060 402592565 /nfs/dbraw/zinc/59/25/65/402592565.db2.gz GVHRIISLTPBHSQ-HNNXBMFYSA-N 1 3 322.497 2.163 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000173471470 402698792 /nfs/dbraw/zinc/69/87/92/402698792.db2.gz XYCRNLQACXSKQO-QZTJIDSGSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000173471470 402698794 /nfs/dbraw/zinc/69/87/94/402698794.db2.gz XYCRNLQACXSKQO-QZTJIDSGSA-N 1 3 315.461 2.447 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000174164056 402729552 /nfs/dbraw/zinc/72/95/52/402729552.db2.gz GTLVTKAHVFDSOB-GDBMZVCRSA-N 1 3 324.513 2.373 10 0 DEAEHO Cn1cccc1C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000174581798 402747175 /nfs/dbraw/zinc/74/71/75/402747175.db2.gz PFPRXNKXGPHYQW-UHFFFAOYSA-N 1 3 304.482 2.065 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000194134798 402784947 /nfs/dbraw/zinc/78/49/47/402784947.db2.gz ACJTZDDCHAAZGK-HOTGVXAUSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000194134798 402784951 /nfs/dbraw/zinc/78/49/51/402784951.db2.gz ACJTZDDCHAAZGK-HOTGVXAUSA-N 1 3 310.486 2.034 10 0 DEAEHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000333277757 403714073 /nfs/dbraw/zinc/71/40/73/403714073.db2.gz LTTLMJNTOCKNMV-CVEARBPZSA-N 1 3 302.422 2.025 10 0 DEAEHO COCCC[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000177983567 292382076 /nfs/dbraw/zinc/38/20/76/292382076.db2.gz URGDTRXNKBUCFN-KRWDZBQOSA-N 1 3 311.514 2.341 10 0 DEAEHO CC[C@@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847458 269085984 /nfs/dbraw/zinc/08/59/84/269085984.db2.gz SDLGRHXFWFHVNE-MAUKXSAKSA-N 1 3 303.450 2.013 10 0 DEAEHO CCOC1CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397702374 269106666 /nfs/dbraw/zinc/10/66/66/269106666.db2.gz VRTVUHOIZHUVKO-UHFFFAOYSA-N 1 3 318.461 2.171 10 0 DEAEHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000245897872 276352192 /nfs/dbraw/zinc/35/21/92/276352192.db2.gz NLKWDPWJJSCQRT-IXDOHACOSA-N 1 3 310.482 2.161 10 0 DEAEHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000261659324 278522127 /nfs/dbraw/zinc/52/21/27/278522127.db2.gz FCKOJJRCYLEZHL-MNAZLIDISA-N 1 3 307.482 2.084 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000185188007 297257389 /nfs/dbraw/zinc/25/73/89/297257389.db2.gz KQJGEEVUOICQQM-CVEARBPZSA-N 1 3 324.513 2.233 10 0 DEAEHO Cn1ncc(Br)c1CNCCCC[N@H+](C)C1CC1 ZINC000453600180 536339262 /nfs/dbraw/zinc/33/92/62/536339262.db2.gz RRCIYQBVDBAOFX-UHFFFAOYSA-N 1 3 315.259 2.147 10 0 DEAEHO Cn1ncc(Br)c1CNCCCC[N@@H+](C)C1CC1 ZINC000453600180 536339264 /nfs/dbraw/zinc/33/92/64/536339264.db2.gz RRCIYQBVDBAOFX-UHFFFAOYSA-N 1 3 315.259 2.147 10 0 DEAEHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543560 792477470 /nfs/dbraw/zinc/47/74/70/792477470.db2.gz PZSCRMFBKWPSCZ-GJZGRUSLSA-N 1 3 311.470 2.316 10 0 DEAEHO C[N@H+](Cc1cccc(Br)c1)C[C@]1(C)COC[C@@H]1N ZINC000090606699 185306406 /nfs/dbraw/zinc/30/64/06/185306406.db2.gz DVEKDOFQFMFVNF-UONOGXRCSA-N 1 3 313.239 2.245 10 0 DEAEHO C[N@@H+](Cc1cccc(Br)c1)C[C@]1(C)COC[C@@H]1N ZINC000090606699 185306407 /nfs/dbraw/zinc/30/64/07/185306407.db2.gz DVEKDOFQFMFVNF-UONOGXRCSA-N 1 3 313.239 2.245 10 0 DEAEHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447549 283156783 /nfs/dbraw/zinc/15/67/83/283156783.db2.gz NXCVKRBBAVDROC-GDBMZVCRSA-N 1 3 323.481 2.483 10 0 DEAEHO CN(CCCNC(=O)C[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000309536882 356410572 /nfs/dbraw/zinc/41/05/72/356410572.db2.gz IREPTVFCRVHZAA-KRWDZBQOSA-N 1 3 303.450 2.014 10 0 DEAEHO CCN(CC(C)(C)O)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000092983419 193191250 /nfs/dbraw/zinc/19/12/50/193191250.db2.gz FFFZJYYNFGEULG-KRWDZBQOSA-N 1 3 300.487 2.122 10 0 DEAEHO O=C1CC[C@@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347662 296324433 /nfs/dbraw/zinc/32/44/33/296324433.db2.gz IPTLPQXRFPRNSO-MSOLQXFVSA-N 1 3 321.509 2.491 10 0 DEAEHO C[C@@H](CCN1CCN(c2nccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000156267435 197100434 /nfs/dbraw/zinc/10/04/34/197100434.db2.gz XHJDWESKVDXGID-GJZGRUSLSA-N 1 3 308.495 2.291 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000245425489 285235429 /nfs/dbraw/zinc/23/54/29/285235429.db2.gz TVRLHDLJOQNBAF-IXDOHACOSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000245425489 285235430 /nfs/dbraw/zinc/23/54/30/285235430.db2.gz TVRLHDLJOQNBAF-IXDOHACOSA-N 1 3 324.513 2.233 10 0 DEAEHO CCOCCCN1CC[C@@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131330 /nfs/dbraw/zinc/13/13/30/133131330.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131331 /nfs/dbraw/zinc/13/13/31/133131331.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@H+]1CC[C@@H](NCCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246709 133131332 /nfs/dbraw/zinc/13/13/32/133131332.db2.gz ZQIZZOGJZVIJHS-RTBURBONSA-N 1 3 323.525 2.365 10 0 DEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000192596471 145075404 /nfs/dbraw/zinc/07/54/04/145075404.db2.gz UCJWMZFANCMDGM-RHSMWYFYSA-N 1 3 307.482 2.050 10 0 DEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000192596471 145075406 /nfs/dbraw/zinc/07/54/06/145075406.db2.gz UCJWMZFANCMDGM-RHSMWYFYSA-N 1 3 307.482 2.050 10 0 DEAEHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000247206025 145129200 /nfs/dbraw/zinc/12/92/00/145129200.db2.gz VJOKCVRAONPSSX-RDBSUJKOSA-N 1 3 308.857 2.386 10 0 DEAEHO C[C@@H]1C[C@@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000247206025 145129201 /nfs/dbraw/zinc/12/92/01/145129201.db2.gz VJOKCVRAONPSSX-RDBSUJKOSA-N 1 3 308.857 2.386 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248828804 145169393 /nfs/dbraw/zinc/16/93/93/145169393.db2.gz APXBVRKYRCBVTB-YQQAZPJKSA-N 1 3 303.450 2.283 10 0 DEAEHO C[C@@H]([NH3+])C1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261920499 145241846 /nfs/dbraw/zinc/24/18/46/145241846.db2.gz KJYFJLMLQKYMJZ-LLVKDONJSA-N 1 3 305.447 2.159 10 0 DEAEHO Cc1cnn(CCN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000123942325 402155436 /nfs/dbraw/zinc/15/54/36/402155436.db2.gz GYGUPRHMZITQKY-MRXNPFEDSA-N 1 3 316.449 2.483 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125237740 402220942 /nfs/dbraw/zinc/22/09/42/402220942.db2.gz MPTDJFHBRJLKKW-JCYILVPMSA-N 1 3 324.513 2.233 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176272473 402295720 /nfs/dbraw/zinc/29/57/20/402295720.db2.gz QOXBZDBSEPZJGV-KRWDZBQOSA-N 1 3 322.497 2.177 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1ccccc1Br ZINC000234795438 402361163 /nfs/dbraw/zinc/36/11/63/402361163.db2.gz XBFHAFALQBKBLX-LBPRGKRZSA-N 1 3 301.228 2.293 10 0 DEAEHO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000170864779 402535014 /nfs/dbraw/zinc/53/50/14/402535014.db2.gz ZQHVXMGZSCUSRO-QGZVFWFLSA-N 1 3 301.434 2.059 10 0 DEAEHO CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000180147889 402608217 /nfs/dbraw/zinc/60/82/17/402608217.db2.gz HZZLZZMFSVSIRV-FBVQUNGASA-N 1 3 313.445 2.002 10 0 DEAEHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000181560039 402649788 /nfs/dbraw/zinc/64/97/88/402649788.db2.gz NLKWDPWJJSCQRT-YESZJQIVSA-N 1 3 310.482 2.161 10 0 DEAEHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000194128954 402785161 /nfs/dbraw/zinc/78/51/61/402785161.db2.gz YVMNIDIUDCOISR-IRXDYDNUSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000194128954 402785162 /nfs/dbraw/zinc/78/51/62/402785162.db2.gz YVMNIDIUDCOISR-IRXDYDNUSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000175959897 402844788 /nfs/dbraw/zinc/84/47/88/402844788.db2.gz FMWRZEGANACEQU-NVXWUHKLSA-N 1 3 324.513 2.233 10 0 DEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC1=CCOCC1 ZINC000423161865 405708532 /nfs/dbraw/zinc/70/85/32/405708532.db2.gz SPXMCRCYWJQPLB-SJLPKXTDSA-N 1 3 300.402 2.179 10 0 DEAEHO C(N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012406 406399930 /nfs/dbraw/zinc/39/99/30/406399930.db2.gz MIVCMFAZIHALBH-WNRNVDISSA-N 1 3 322.493 2.473 10 0 DEAEHO O=C(CCC1C[NH2+]C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000638080007 406558712 /nfs/dbraw/zinc/55/87/12/406558712.db2.gz KMZRTSNMFRBLTH-SFHVURJKSA-N 1 3 315.461 2.014 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256162 406633619 /nfs/dbraw/zinc/63/36/19/406633619.db2.gz CQWNFLYYVDTHNO-KBAYOESNSA-N 1 3 315.461 2.107 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000572256162 406633626 /nfs/dbraw/zinc/63/36/26/406633626.db2.gz CQWNFLYYVDTHNO-KBAYOESNSA-N 1 3 315.461 2.107 10 0 DEAEHO CSc1ccc(CN2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC000130627282 196097161 /nfs/dbraw/zinc/09/71/61/196097161.db2.gz MIHCJZJUUUAXJS-INIZCTEOSA-N 1 3 305.491 2.406 10 0 DEAEHO CN(C(=O)C1CCC([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381910629 424909747 /nfs/dbraw/zinc/90/97/47/424909747.db2.gz ZSOHSBBKLISRQT-DAWZGUTISA-N 1 3 315.461 2.237 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388680652 424914497 /nfs/dbraw/zinc/91/44/97/424914497.db2.gz VLHLGCXZUFCPPX-ROUUACIJSA-N 1 3 317.477 2.483 10 0 DEAEHO C(N[C@@H]1CCC[C@H](C2CC2)C1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333641330 268968821 /nfs/dbraw/zinc/96/88/21/268968821.db2.gz XILWHOYMIIKVIU-LSDHHAIUSA-N 1 3 303.454 2.330 10 0 DEAEHO CCOC[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397489593 269106946 /nfs/dbraw/zinc/10/69/46/269106946.db2.gz HCZCPLLCJSCGNU-INIZCTEOSA-N 1 3 306.450 2.028 10 0 DEAEHO CC1CCC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000236788380 275930260 /nfs/dbraw/zinc/93/02/60/275930260.db2.gz PMDRYWPMGWIIBH-GMRIPVOYSA-N 1 3 307.482 2.227 10 0 DEAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000175028935 281191760 /nfs/dbraw/zinc/19/17/60/281191760.db2.gz YQZCKBMIWITZEO-ZWKOTPCHSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000175028935 281191761 /nfs/dbraw/zinc/19/17/61/281191761.db2.gz YQZCKBMIWITZEO-ZWKOTPCHSA-N 1 3 315.461 2.447 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000398163308 337307620 /nfs/dbraw/zinc/30/76/20/337307620.db2.gz SNDPNIFNMNESEG-SZVBFZGTSA-N 1 3 315.461 2.155 10 0 DEAEHO CCN1CC[C@H](C[NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054970 799434135 /nfs/dbraw/zinc/43/41/35/799434135.db2.gz GDIZWUOLMYHNCO-HUUCEWRRSA-N 1 3 311.470 2.317 10 0 DEAEHO CC[N@@H+]1CC[C@H](CNC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054970 799434141 /nfs/dbraw/zinc/43/41/41/799434141.db2.gz GDIZWUOLMYHNCO-HUUCEWRRSA-N 1 3 311.470 2.317 10 0 DEAEHO CC[N@H+]1CC[C@H](CNC[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000300054970 799434147 /nfs/dbraw/zinc/43/41/47/799434147.db2.gz GDIZWUOLMYHNCO-HUUCEWRRSA-N 1 3 311.470 2.317 10 0 DEAEHO CN(C)CCN[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000087912144 185237237 /nfs/dbraw/zinc/23/72/37/185237237.db2.gz DRCVVYXKEWCGJA-LBPRGKRZSA-N 1 3 307.385 2.450 10 0 DEAEHO CN(CCC(=O)Nc1ccccc1C[NH3+])CCC(F)(F)F ZINC000088417519 185249075 /nfs/dbraw/zinc/24/90/75/185249075.db2.gz FZQRQLNEDBASFQ-UHFFFAOYSA-N 1 3 303.328 2.358 10 0 DEAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCC(=O)Nc1cccc(Cl)c1 ZINC000090327565 185291210 /nfs/dbraw/zinc/29/12/10/185291210.db2.gz QRKSMENGVKTMPM-JMSVASOKSA-N 1 3 307.825 2.208 10 0 DEAEHO CN1CCC[C@H]1C[N@H+](C)C1(CN)CCC(C(F)(F)F)CC1 ZINC000092625280 185329664 /nfs/dbraw/zinc/32/96/64/185329664.db2.gz NQUHWFHACRHWAJ-MOKVOYLWSA-N 1 3 307.404 2.462 10 0 DEAEHO CN1CCC[C@H]1C[N@@H+](C)C1(CN)CCC(C(F)(F)F)CC1 ZINC000092625280 185329665 /nfs/dbraw/zinc/32/96/65/185329665.db2.gz NQUHWFHACRHWAJ-MOKVOYLWSA-N 1 3 307.404 2.462 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000192945626 282345362 /nfs/dbraw/zinc/34/53/62/282345362.db2.gz ZZGQRUOOARXMCX-MRXNPFEDSA-N 1 3 312.502 2.138 10 0 DEAEHO [NH3+]C1(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCC1 ZINC000237998230 539752743 /nfs/dbraw/zinc/75/27/43/539752743.db2.gz NTKICBMDJRGPJQ-KRWDZBQOSA-N 1 3 315.461 2.429 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000398065398 540140523 /nfs/dbraw/zinc/14/05/23/540140523.db2.gz HLLNVASRKYBADY-ZBFHGGJFSA-N 1 3 301.434 2.037 10 0 DEAEHO C[C@H](C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000400760673 283158687 /nfs/dbraw/zinc/15/86/87/283158687.db2.gz YBQYFCVDEKZJSU-KFWWJZLASA-N 1 3 313.486 2.419 10 0 DEAEHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400447553 283156918 /nfs/dbraw/zinc/15/69/18/283156918.db2.gz NXCVKRBBAVDROC-ZBFHGGJFSA-N 1 3 323.481 2.483 10 0 DEAEHO C[N@@H+]1CCC[C@H]1CCOc1nc(C(F)(F)F)ccc1CN ZINC000094334491 193360672 /nfs/dbraw/zinc/36/06/72/193360672.db2.gz RZBLJAZMLSDGQP-NSHDSACASA-N 1 3 303.328 2.422 10 0 DEAEHO C[N@H+]1CCC[C@H]1CCOc1nc(C(F)(F)F)ccc1CN ZINC000094334491 193360673 /nfs/dbraw/zinc/36/06/73/193360673.db2.gz RZBLJAZMLSDGQP-NSHDSACASA-N 1 3 303.328 2.422 10 0 DEAEHO Cc1csc(NC(=O)CN(CC2CC[NH2+]CC2)C(C)C)n1 ZINC000094026055 193339867 /nfs/dbraw/zinc/33/98/67/193339867.db2.gz KZSTVXTZVZIQII-UHFFFAOYSA-N 1 3 310.467 2.100 10 0 DEAEHO CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC000094634618 193386461 /nfs/dbraw/zinc/38/64/61/193386461.db2.gz WPUZWSJQDOBVKI-HZPDHXFCSA-N 1 3 316.511 2.326 10 0 DEAEHO CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC000094634618 193386463 /nfs/dbraw/zinc/38/64/63/193386463.db2.gz WPUZWSJQDOBVKI-HZPDHXFCSA-N 1 3 316.511 2.326 10 0 DEAEHO CN(CCCOCC(F)(F)F)Cc1cccc(C(N)=[NH2+])c1 ZINC000061942436 184197384 /nfs/dbraw/zinc/19/73/84/184197384.db2.gz FDHAEEJXAZCCPK-UHFFFAOYSA-N 1 3 303.328 2.371 10 0 DEAEHO C[NH+](C)[C@@H]1CCN([C@@H](CN)c2cc(Br)cs2)C1 ZINC000062964179 184262995 /nfs/dbraw/zinc/26/29/95/184262995.db2.gz PCDAUCBCRIHTER-MNOVXSKESA-N 1 3 318.284 2.146 10 0 DEAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000121628915 195319977 /nfs/dbraw/zinc/31/99/77/195319977.db2.gz ZNTBTEGBEREYJP-MRXNPFEDSA-N 1 3 324.513 2.233 10 0 DEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC1=CCOCC1 ZINC000423161862 285522775 /nfs/dbraw/zinc/52/27/75/285522775.db2.gz SPXMCRCYWJQPLB-FUHWJXTLSA-N 1 3 300.402 2.179 10 0 DEAEHO COC[C@H](C)[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247563748 145141365 /nfs/dbraw/zinc/14/13/65/145141365.db2.gz RBKBBVWGKBPLFT-QFBILLFUSA-N 1 3 320.477 2.399 10 0 DEAEHO COC[C@H](C)[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247563748 145141367 /nfs/dbraw/zinc/14/13/67/145141367.db2.gz RBKBBVWGKBPLFT-QFBILLFUSA-N 1 3 320.477 2.399 10 0 DEAEHO C[C@H](CC(=O)Nc1ccc2c(c1F)CCNC2)C1CC[NH2+]CC1 ZINC000261713197 145219267 /nfs/dbraw/zinc/21/92/67/145219267.db2.gz KSPVSYHVDZUMHZ-GFCCVEGCSA-N 1 3 319.424 2.436 10 0 DEAEHO C[C@@H]1CN(C2CCN(CCC[NH+]3CCCCC3)CC2)CCO1 ZINC000125149949 402216068 /nfs/dbraw/zinc/21/60/68/402216068.db2.gz WQEHCWZYCZKTCK-QGZVFWFLSA-N 1 3 309.498 2.048 10 0 DEAEHO [NH3+][C@H]1CCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000166209210 402482859 /nfs/dbraw/zinc/48/28/59/402482859.db2.gz GEVWLTHIUDSZKV-CVEARBPZSA-N 1 3 321.490 2.204 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000246570490 402536937 /nfs/dbraw/zinc/53/69/37/402536937.db2.gz YLIPSFHFKLZDPK-ZACQAIPSSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000246570490 402536941 /nfs/dbraw/zinc/53/69/41/402536941.db2.gz YLIPSFHFKLZDPK-ZACQAIPSSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000249842738 402642382 /nfs/dbraw/zinc/64/23/82/402642382.db2.gz YHHCLRIYWKTISU-IAGOWNOFSA-N 1 3 324.513 2.280 10 0 DEAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000249842738 402642384 /nfs/dbraw/zinc/64/23/84/402642384.db2.gz YHHCLRIYWKTISU-IAGOWNOFSA-N 1 3 324.513 2.280 10 0 DEAEHO CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000173328276 402692928 /nfs/dbraw/zinc/69/29/28/402692928.db2.gz SZLUGOCZOITGJV-JKSUJKDBSA-N 1 3 312.502 2.229 10 0 DEAEHO CCC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)N(C)C ZINC000182533675 402697709 /nfs/dbraw/zinc/69/77/09/402697709.db2.gz STMGEKXDADZKKP-WBVHZDCISA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000182533675 402697710 /nfs/dbraw/zinc/69/77/10/402697710.db2.gz STMGEKXDADZKKP-WBVHZDCISA-N 1 3 305.466 2.353 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000174174092 402729796 /nfs/dbraw/zinc/72/97/96/402729796.db2.gz GYBVFXJIWMRNNF-BRWVUGGUSA-N 1 3 324.513 2.233 10 0 DEAEHO C(CCN1CCO[C@H](C2CC2)C1)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000368793084 403861038 /nfs/dbraw/zinc/86/10/38/403861038.db2.gz RUVBOJKTPNZLIZ-OALUTQOASA-N 1 3 322.493 2.378 10 0 DEAEHO C(CCN1CCO[C@H](C2CC2)C1)CC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000368793084 403861046 /nfs/dbraw/zinc/86/10/46/403861046.db2.gz RUVBOJKTPNZLIZ-OALUTQOASA-N 1 3 322.493 2.378 10 0 DEAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379662729 405028203 /nfs/dbraw/zinc/02/82/03/405028203.db2.gz JCNOBANOLZKXQM-SZMVWBNQSA-N 1 3 315.461 2.155 10 0 DEAEHO O=C(CCC1C[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000638080310 406558683 /nfs/dbraw/zinc/55/86/83/406558683.db2.gz NQCXGNMKJFQBSZ-SFHVURJKSA-N 1 3 315.461 2.157 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390750919 424917634 /nfs/dbraw/zinc/91/76/34/424917634.db2.gz SIIXPVXWJJQBFX-IRXDYDNUSA-N 1 3 303.450 2.141 10 0 DEAEHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000303207866 424892613 /nfs/dbraw/zinc/89/26/13/424892613.db2.gz OGFPTCJCLAIICX-AEFFLSMTSA-N 1 3 315.461 2.142 10 0 DEAEHO CSC1(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000397520534 269106819 /nfs/dbraw/zinc/10/68/19/269106819.db2.gz UNZFSVMMAJTQEB-UHFFFAOYSA-N 1 3 320.502 2.499 10 0 DEAEHO OC1(C[NH2+]C[C@H]2CCSC2)CCN(Cc2ccccc2)CC1 ZINC000397521336 269106885 /nfs/dbraw/zinc/10/68/85/269106885.db2.gz UYFSDYUADZQIHQ-QGZVFWFLSA-N 1 3 320.502 2.356 10 0 DEAEHO CC1=CCN(CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447990178 528117331 /nfs/dbraw/zinc/11/73/31/528117331.db2.gz RAMZBQOJUJKFLD-INIZCTEOSA-N 1 3 322.497 2.058 10 0 DEAEHO CC1=CCN(CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447990178 528117337 /nfs/dbraw/zinc/11/73/37/528117337.db2.gz RAMZBQOJUJKFLD-INIZCTEOSA-N 1 3 322.497 2.058 10 0 DEAEHO CCCCOC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000195216762 528626594 /nfs/dbraw/zinc/62/65/94/528626594.db2.gz NSSZJYTYKRQZCS-LZLYRXPVSA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195216762 528626598 /nfs/dbraw/zinc/62/65/98/528626598.db2.gz NSSZJYTYKRQZCS-LZLYRXPVSA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000195216762 528626602 /nfs/dbraw/zinc/62/66/02/528626602.db2.gz NSSZJYTYKRQZCS-LZLYRXPVSA-N 1 3 312.498 2.407 10 0 DEAEHO C[C@@H](CN(C(=O)OC(C)(C)C)c1ccc(CN)nc1)[NH+](C)C ZINC000757136036 623092225 /nfs/dbraw/zinc/09/22/25/623092225.db2.gz YHYZNWNOABYIAF-LBPRGKRZSA-N 1 3 308.426 2.232 10 0 DEAEHO COC(OC)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381757101 685402157 /nfs/dbraw/zinc/40/21/57/685402157.db2.gz GTONBNPIIOTJRC-YQQAZPJKSA-N 1 3 306.450 2.494 10 0 DEAEHO CC1CCN(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000138084359 282098735 /nfs/dbraw/zinc/09/87/35/282098735.db2.gz AILQJMGACYFIQL-UHFFFAOYSA-N 1 3 324.513 2.138 10 0 DEAEHO CCN(CC)CCN[C@H](C[NH3+])c1ccccc1OC(F)F ZINC000087912681 185237391 /nfs/dbraw/zinc/23/73/91/185237391.db2.gz SKPZYFZBPDSURK-CYBMUJFWSA-N 1 3 301.381 2.219 10 0 DEAEHO Nc1ccncc1-c1cc(NC2CC[NH2+]CC2)nc2[nH]ccc21 ZINC000072159250 191062886 /nfs/dbraw/zinc/06/28/86/191062886.db2.gz DWGCBSTUEFEZCL-UHFFFAOYSA-N 1 3 308.389 2.371 10 0 DEAEHO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C[C@@H]1CN(C)CCN1C ZINC000149610423 186052117 /nfs/dbraw/zinc/05/21/17/186052117.db2.gz OTDKRTUKDLUZSO-DLBZAZTESA-N 1 3 309.885 2.497 10 0 DEAEHO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303089415 539861233 /nfs/dbraw/zinc/86/12/33/539861233.db2.gz OSCUAAMTCAPRLS-MSOLQXFVSA-N 1 3 315.461 2.157 10 0 DEAEHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173977587 198274890 /nfs/dbraw/zinc/27/48/90/198274890.db2.gz LEHBYUFXTKGFGL-ZDUSSCGKSA-N 1 3 315.417 2.271 10 0 DEAEHO COc1ccccc1N1CCN(C2C[C@@H]3CC([NH3+])C[C@H]3C2)CC1 ZINC000038296392 354167134 /nfs/dbraw/zinc/16/71/34/354167134.db2.gz RYFNTWUMDXXCPE-JUVOFCAFSA-N 1 3 315.461 2.333 10 0 DEAEHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C1CCC([NH3+])CC1 ZINC000091844804 193116908 /nfs/dbraw/zinc/11/69/08/193116908.db2.gz ZTHUOGANPLKKID-LRVUVFPRSA-N 1 3 310.463 2.353 10 0 DEAEHO CC[N@H+]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1CN ZINC000094638823 193387873 /nfs/dbraw/zinc/38/78/73/193387873.db2.gz VGOSNBUZMNRDHO-LVQVYYBASA-N 1 3 316.511 2.182 10 0 DEAEHO CC[N@@H+]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1CN ZINC000094638823 193387874 /nfs/dbraw/zinc/38/78/74/193387874.db2.gz VGOSNBUZMNRDHO-LVQVYYBASA-N 1 3 316.511 2.182 10 0 DEAEHO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2NCCCC2(C)C)CC1 ZINC000262429726 284581430 /nfs/dbraw/zinc/58/14/30/284581430.db2.gz FSVNTAJJIJGAMZ-INIZCTEOSA-N 1 3 309.498 2.345 10 0 DEAEHO CCCN(CC[NH+](C)C)[C@H](CN)c1ccc(Br)o1 ZINC000045666231 183522957 /nfs/dbraw/zinc/52/29/57/183522957.db2.gz HJJYKQSPSSFDQC-LLVKDONJSA-N 1 3 318.259 2.316 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000247478303 285198634 /nfs/dbraw/zinc/19/86/34/285198634.db2.gz IWETUZZISRCTLA-HZPDHXFCSA-N 1 3 312.502 2.136 10 0 DEAEHO COC[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C(C)C ZINC000124742746 285233533 /nfs/dbraw/zinc/23/35/33/285233533.db2.gz XQUXCGMLTKTZGV-QGZVFWFLSA-N 1 3 311.514 2.197 10 0 DEAEHO C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 ZINC000248040722 257112434 /nfs/dbraw/zinc/11/24/34/257112434.db2.gz VOKNWVZBSJUXOH-GVDBMIGSSA-N 1 3 324.490 2.448 10 0 DEAEHO CN1C[C@@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000193602322 145088320 /nfs/dbraw/zinc/08/83/20/145088320.db2.gz FRALPYLKHZHYQJ-IYBDPMFKSA-N 1 3 312.417 2.163 10 0 DEAEHO CN1C[C@@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000193602322 145088322 /nfs/dbraw/zinc/08/83/22/145088322.db2.gz FRALPYLKHZHYQJ-IYBDPMFKSA-N 1 3 312.417 2.163 10 0 DEAEHO C[C@@H]1CCCN1C(=O)CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261861164 145234613 /nfs/dbraw/zinc/23/46/13/145234613.db2.gz WHWUSTVSRNLHMN-NXHRZFHOSA-N 1 3 315.461 2.062 10 0 DEAEHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922033 145241964 /nfs/dbraw/zinc/24/19/64/145241964.db2.gz IAFGLHVIGCCCRS-UONOGXRCSA-N 1 3 307.413 2.064 10 0 DEAEHO C[C@H](CN(C)C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000358489464 147144055 /nfs/dbraw/zinc/14/40/55/147144055.db2.gz BVNQTBPSVBHNQR-IAGOWNOFSA-N 1 3 324.513 2.234 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000119097436 401925951 /nfs/dbraw/zinc/92/59/51/401925951.db2.gz JLHPBPRCYZJLEY-ZGRYLRDCSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(OCCN(C)C)c1 ZINC000154551000 402218072 /nfs/dbraw/zinc/21/80/72/402218072.db2.gz HRWVURMGUAARAB-WBVHZDCISA-N 1 3 305.466 2.372 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246756377 402543731 /nfs/dbraw/zinc/54/37/31/402543731.db2.gz MLTNJHLGHKGBDC-BRWVUGGUSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246756377 402543733 /nfs/dbraw/zinc/54/37/33/402543733.db2.gz MLTNJHLGHKGBDC-BRWVUGGUSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000246185521 402516872 /nfs/dbraw/zinc/51/68/72/402516872.db2.gz MCXGQCXQFZQYGV-BBWFWOEESA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000246185521 402516876 /nfs/dbraw/zinc/51/68/76/402516876.db2.gz MCXGQCXQFZQYGV-BBWFWOEESA-N 1 3 324.513 2.231 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCOCC2 ZINC000248905267 402613986 /nfs/dbraw/zinc/61/39/86/402613986.db2.gz BAYWDVPNWHKDEK-LUKYLMHMSA-N 1 3 308.466 2.177 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C12CCOCC2 ZINC000248905267 402613987 /nfs/dbraw/zinc/61/39/87/402613987.db2.gz BAYWDVPNWHKDEK-LUKYLMHMSA-N 1 3 308.466 2.177 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000175370063 402800583 /nfs/dbraw/zinc/80/05/83/402800583.db2.gz RCSRJDHIHABVIL-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C12CCOCC2 ZINC000248922973 286397771 /nfs/dbraw/zinc/39/77/71/286397771.db2.gz FKIYGBLFBXTNSX-WCXIOVBPSA-N 1 3 310.482 2.423 10 0 DEAEHO CCC[NH2+][C@@H](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)N2C ZINC000129433175 196047688 /nfs/dbraw/zinc/04/76/88/196047688.db2.gz DFGRWIJRKFVPIJ-UYTSQGDYSA-N 1 3 316.511 2.052 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000398035626 424922128 /nfs/dbraw/zinc/92/21/28/424922128.db2.gz PNNWLXKYOXANKM-LTDKPHRXSA-N 1 3 315.461 2.283 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398041133 424922752 /nfs/dbraw/zinc/92/27/52/424922752.db2.gz RXWMKVARIUPDDI-LAVFITLUSA-N 1 3 315.461 2.141 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000309821539 424894262 /nfs/dbraw/zinc/89/42/62/424894262.db2.gz POXOVTLPNFHUBC-ODIFPOPNSA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)O1 ZINC000397587716 269107007 /nfs/dbraw/zinc/10/70/07/269107007.db2.gz KFOZQSKZUWZOEY-SOLBZPMBSA-N 1 3 318.461 2.169 10 0 DEAEHO O=C1CCCCN1CC1CC[NH+](CCCN2CCCC2)CC1 ZINC000119970051 280250496 /nfs/dbraw/zinc/25/04/96/280250496.db2.gz WDQGFRLTYPXDHD-UHFFFAOYSA-N 1 3 307.482 2.197 10 0 DEAEHO CC[C@H]1CCCCN1CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245429920 281053139 /nfs/dbraw/zinc/05/31/39/281053139.db2.gz ZHIOVCBDXQVXGY-DLBZAZTESA-N 1 3 324.513 2.377 10 0 DEAEHO CC[C@H]1CCCCN1CCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245429920 281053143 /nfs/dbraw/zinc/05/31/43/281053143.db2.gz ZHIOVCBDXQVXGY-DLBZAZTESA-N 1 3 324.513 2.377 10 0 DEAEHO CN1CCC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000072817254 281536386 /nfs/dbraw/zinc/53/63/86/281536386.db2.gz GDXDHCMCSVNCJV-UHFFFAOYSA-N 1 3 315.461 2.240 10 0 DEAEHO C[NH+](C)CC[C@@H](NC(=O)N1CCCN(C2CC2)CC1)C(C)(C)C ZINC000172193204 289177423 /nfs/dbraw/zinc/17/74/23/289177423.db2.gz RNSXMGMZGUGKRU-MRXNPFEDSA-N 1 3 324.513 2.233 10 0 DEAEHO COC[C@@H](C)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000187686114 332982528 /nfs/dbraw/zinc/98/25/28/332982528.db2.gz WABAGAIQHGZZAI-SFHVURJKSA-N 1 3 319.493 2.461 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000194693558 685075665 /nfs/dbraw/zinc/07/56/65/685075665.db2.gz XIIBCEHXBORKDW-INIZCTEOSA-N 1 3 312.502 2.282 10 0 DEAEHO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000710968395 1086692534 /nfs/dbraw/zinc/69/25/34/1086692534.db2.gz SWRJQSGYDACMKW-SJORKVTESA-N 1 3 304.434 2.250 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000082539627 185190979 /nfs/dbraw/zinc/19/09/79/185190979.db2.gz WYPYYELRWZXGJP-VIFPVBQESA-N 1 3 306.273 2.004 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000082539629 185191042 /nfs/dbraw/zinc/19/10/42/185191042.db2.gz WYPYYELRWZXGJP-SECBINFHSA-N 1 3 306.273 2.004 10 0 DEAEHO CCN(CC)CCN[C@@H](C[NH3+])c1ccccc1OC(F)F ZINC000087912680 185237437 /nfs/dbraw/zinc/23/74/37/185237437.db2.gz SKPZYFZBPDSURK-ZDUSSCGKSA-N 1 3 301.381 2.219 10 0 DEAEHO CN[C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438769 185296625 /nfs/dbraw/zinc/29/66/25/185296625.db2.gz DIENTRPRFSQUPT-GXTWGEPZSA-N 1 3 313.239 2.115 10 0 DEAEHO CN[C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438769 185296626 /nfs/dbraw/zinc/29/66/26/185296626.db2.gz DIENTRPRFSQUPT-GXTWGEPZSA-N 1 3 313.239 2.115 10 0 DEAEHO CCCN1CC[C@H](C[NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000249032411 534957310 /nfs/dbraw/zinc/95/73/10/534957310.db2.gz STNRJEWECLGBEN-IXDOHACOSA-N 1 3 310.482 2.282 10 0 DEAEHO C[NH+](C)CCCN1Cc2c(cccc2C(F)(F)F)[C@@H]1CN ZINC000071684157 191009070 /nfs/dbraw/zinc/00/90/70/191009070.db2.gz KRTUYPCKJRZJDY-AWEZNQCLSA-N 1 3 301.356 2.473 10 0 DEAEHO [NH3+]C1CCN(CCNCc2sccc2Br)CC1 ZINC000148344666 186044260 /nfs/dbraw/zinc/04/42/60/186044260.db2.gz PSNOMNSHWKJNSL-UHFFFAOYSA-N 1 3 318.284 2.023 10 0 DEAEHO CC[NH2+][C@H](Cc1ccc(CC)s1)C[C@@H]1CN(C)CCN1C ZINC000149690168 186052734 /nfs/dbraw/zinc/05/27/34/186052734.db2.gz IHSIRDAWDRHFBN-LSDHHAIUSA-N 1 3 309.523 2.467 10 0 DEAEHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901097 198003748 /nfs/dbraw/zinc/00/37/48/198003748.db2.gz HPXYSNKMMVOSFJ-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901097 198003749 /nfs/dbraw/zinc/00/37/49/198003749.db2.gz HPXYSNKMMVOSFJ-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO CSCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000040462730 354169774 /nfs/dbraw/zinc/16/97/74/354169774.db2.gz MZXIWJGRQGVYAE-HNNXBMFYSA-N 1 3 307.463 2.301 10 0 DEAEHO CCCN1CCC(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182830781 356147707 /nfs/dbraw/zinc/14/77/07/356147707.db2.gz VDJCQYIHZJPOCQ-HOTGVXAUSA-N 1 3 316.511 2.054 10 0 DEAEHO CC[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262665950 356343700 /nfs/dbraw/zinc/34/37/00/356343700.db2.gz JTABYAWCOOKKKW-CGTJXYLNSA-N 1 3 315.461 2.067 10 0 DEAEHO CC1(C)[C@@H](NCC2([NH3+])CCOCC2)C[C@@H]1OCc1ccccc1 ZINC000629389022 367188318 /nfs/dbraw/zinc/18/83/18/367188318.db2.gz HZDRPZZQYSAXNW-IRXDYDNUSA-N 1 3 318.461 2.468 10 0 DEAEHO CC[NH+](CC)CC1CCN(C(=O)[C@H]2NCCCC2(C)C)CC1 ZINC000262429728 284582017 /nfs/dbraw/zinc/58/20/17/284582017.db2.gz FSVNTAJJIJGAMZ-MRXNPFEDSA-N 1 3 309.498 2.345 10 0 DEAEHO CCCNCc1nc(CN(C)CC2CC[NH+](C)CC2)cs1 ZINC000063124091 184271612 /nfs/dbraw/zinc/27/16/12/184271612.db2.gz MXFZEBFEDVBBAH-UHFFFAOYSA-N 1 3 310.511 2.416 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000539417315 285076840 /nfs/dbraw/zinc/07/68/40/285076840.db2.gz QIEZAUKFZZYTBL-UHFFFAOYSA-N 1 3 303.450 2.306 10 0 DEAEHO CC[C@H](C)N1CCN(c2cc(C)[nH+]c(C)c2C(N)=S)CC1 ZINC000156672545 197132554 /nfs/dbraw/zinc/13/25/54/197132554.db2.gz TXBJWHBRNPRSPA-LBPRGKRZSA-N 1 3 306.479 2.253 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247426053 285265919 /nfs/dbraw/zinc/26/59/19/285265919.db2.gz VOSQCIRWQLUXOM-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000246951149 145120612 /nfs/dbraw/zinc/12/06/12/145120612.db2.gz DCIRCPMFZXKLSU-JKSUJKDBSA-N 1 3 310.486 2.034 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(CC)C1 ZINC000246951149 145120613 /nfs/dbraw/zinc/12/06/13/145120613.db2.gz DCIRCPMFZXKLSU-JKSUJKDBSA-N 1 3 310.486 2.034 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247944541 145145445 /nfs/dbraw/zinc/14/54/45/145145445.db2.gz HEXOYWUAQAKEGI-YQVWRLOYSA-N 1 3 318.461 2.151 10 0 DEAEHO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247944541 145145446 /nfs/dbraw/zinc/14/54/46/145145446.db2.gz HEXOYWUAQAKEGI-YQVWRLOYSA-N 1 3 318.461 2.151 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000252645846 145199125 /nfs/dbraw/zinc/19/91/25/145199125.db2.gz CFOIXTTZQHGWTI-QLFBSQMISA-N 1 3 312.479 2.040 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@H+]1C ZINC000252645846 145199126 /nfs/dbraw/zinc/19/91/26/145199126.db2.gz CFOIXTTZQHGWTI-QLFBSQMISA-N 1 3 312.479 2.040 10 0 DEAEHO Cn1c2ccc(CN3CCC[C@@H](CC[NH3+])C3)cc2sc1=O ZINC000261792210 145226912 /nfs/dbraw/zinc/22/69/12/145226912.db2.gz GGCLDKUQLYQMMR-LBPRGKRZSA-N 1 3 305.447 2.161 10 0 DEAEHO CCOC(=O)[C@@H]1CN(CC2CC[NH2+]CC2)Cc2ccccc21 ZINC000261920482 145242076 /nfs/dbraw/zinc/24/20/76/145242076.db2.gz KJMXOIKSSYJNPD-QGZVFWFLSA-N 1 3 302.418 2.149 10 0 DEAEHO C[NH2+]CCC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261989978 145250810 /nfs/dbraw/zinc/25/08/10/145250810.db2.gz SHEHTOWWFYJVLZ-UHFFFAOYSA-N 1 3 319.474 2.422 10 0 DEAEHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000309894778 145351051 /nfs/dbraw/zinc/35/10/51/145351051.db2.gz NPVAWLWUNCAOQL-QZTJIDSGSA-N 1 3 315.461 2.014 10 0 DEAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002947 145351993 /nfs/dbraw/zinc/35/19/93/145351993.db2.gz RSGXVWSSSDKVRR-FFHGMXDLSA-N 1 3 311.470 2.457 10 0 DEAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002947 145351996 /nfs/dbraw/zinc/35/19/96/145351996.db2.gz RSGXVWSSSDKVRR-FFHGMXDLSA-N 1 3 311.470 2.457 10 0 DEAEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359283121 147298464 /nfs/dbraw/zinc/29/84/64/147298464.db2.gz YBPPHWOQHBVRNH-QGZVFWFLSA-N 1 3 309.498 2.443 10 0 DEAEHO Cc1noc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)n1 ZINC000089518220 401950925 /nfs/dbraw/zinc/95/09/25/401950925.db2.gz XNZPJRFYWNRQJG-ZDUSSCGKSA-N 1 3 318.421 2.212 10 0 DEAEHO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000124127717 402164977 /nfs/dbraw/zinc/16/49/77/402164977.db2.gz TZCUNQMMLIRPKO-INIZCTEOSA-N 1 3 316.449 2.483 10 0 DEAEHO Cc1cnn(CCN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000124127717 402164980 /nfs/dbraw/zinc/16/49/80/402164980.db2.gz TZCUNQMMLIRPKO-INIZCTEOSA-N 1 3 316.449 2.483 10 0 DEAEHO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(OCCN(C)C)cc1 ZINC000154514273 402216607 /nfs/dbraw/zinc/21/66/07/402216607.db2.gz RNLGBNGQHOEGNA-WBVHZDCISA-N 1 3 305.466 2.372 10 0 DEAEHO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(OCCN(C)C)c1 ZINC000154550905 402218314 /nfs/dbraw/zinc/21/83/14/402218314.db2.gz HRWVURMGUAARAB-RDJZCZTQSA-N 1 3 305.466 2.372 10 0 DEAEHO CC(=O)CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106128321 402212358 /nfs/dbraw/zinc/21/23/58/402212358.db2.gz QQQUWEONJFNDJN-LJQANCHMSA-N 1 3 318.461 2.343 10 0 DEAEHO CC(=O)CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106128321 402212360 /nfs/dbraw/zinc/21/23/60/402212360.db2.gz QQQUWEONJFNDJN-LJQANCHMSA-N 1 3 318.461 2.343 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000185187990 402332445 /nfs/dbraw/zinc/33/24/45/402332445.db2.gz KQJGEEVUOICQQM-JKSUJKDBSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](N)c1ccccc1 ZINC000237573520 402413097 /nfs/dbraw/zinc/41/30/97/402413097.db2.gz UJCJKDFJKPSCEF-HYLRJUEESA-N 1 3 301.434 2.064 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246383581 402528219 /nfs/dbraw/zinc/52/82/19/402528219.db2.gz IMGFBEGYCBZNKL-ULQDDVLXSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000246383581 402528220 /nfs/dbraw/zinc/52/82/20/402528220.db2.gz IMGFBEGYCBZNKL-ULQDDVLXSA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170830043 402530490 /nfs/dbraw/zinc/53/04/90/402530490.db2.gz OTJRRYAHTMCVDH-ZACQAIPSSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246427790 402530823 /nfs/dbraw/zinc/53/08/23/402530823.db2.gz MKVKCFXQPBVZSZ-ZACQAIPSSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246427790 402530827 /nfs/dbraw/zinc/53/08/27/402530827.db2.gz MKVKCFXQPBVZSZ-ZACQAIPSSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)[C@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172383935 402653467 /nfs/dbraw/zinc/65/34/67/402653467.db2.gz ZWQVYHBNWCMGQJ-OAHLLOKOSA-N 1 3 324.513 2.136 10 0 DEAEHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1)C(C)C ZINC000174355745 402737977 /nfs/dbraw/zinc/73/79/77/402737977.db2.gz QRDDOBDFKZVKCV-QGZVFWFLSA-N 1 3 322.497 2.151 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000174522049 402745238 /nfs/dbraw/zinc/74/52/38/402745238.db2.gz UBGAQOAQYZWPQZ-NVXWUHKLSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000194134812 402785117 /nfs/dbraw/zinc/78/51/17/402785117.db2.gz ACJTZDDCHAAZGK-JKSUJKDBSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000194134812 402785119 /nfs/dbraw/zinc/78/51/19/402785119.db2.gz ACJTZDDCHAAZGK-JKSUJKDBSA-N 1 3 310.486 2.034 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000194148056 402785731 /nfs/dbraw/zinc/78/57/31/402785731.db2.gz ZOLQKZAZPZPWMH-KRWDZBQOSA-N 1 3 324.513 2.282 10 0 DEAEHO CN1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccccc1 ZINC000333559162 403780635 /nfs/dbraw/zinc/78/06/35/403780635.db2.gz KPHOOXOTIZNUHT-QBPKDAKJSA-N 1 3 316.449 2.001 10 0 DEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118547 406579061 /nfs/dbraw/zinc/57/90/61/406579061.db2.gz AKHSFJKQKXDBTQ-YJBOKZPZSA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CCCNC1 ZINC000643489439 407006888 /nfs/dbraw/zinc/00/68/88/407006888.db2.gz JIXRTRBCHYJMCS-VXGBXAGGSA-N 1 3 315.259 2.013 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000380900398 424908828 /nfs/dbraw/zinc/90/88/28/424908828.db2.gz OUAFDCNBVRGUSC-KRWDZBQOSA-N 1 3 303.450 2.141 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000390700832 424917796 /nfs/dbraw/zinc/91/77/96/424917796.db2.gz CQFPQIJDQFJXOE-QZTJIDSGSA-N 1 3 317.477 2.388 10 0 DEAEHO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309924343 424893995 /nfs/dbraw/zinc/89/39/95/424893995.db2.gz WYHUKGWNEWIAQF-MSOLQXFVSA-N 1 3 315.461 2.014 10 0 DEAEHO c1ccc(CN2CCCO[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619064 269098249 /nfs/dbraw/zinc/09/82/49/269098249.db2.gz YZNGCNAMQAKGEA-MOPGFXCFSA-N 1 3 317.477 2.009 10 0 DEAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398047017 269108110 /nfs/dbraw/zinc/10/81/10/269108110.db2.gz WDVTYVKTVFONIN-NEPXVJNWSA-N 1 3 301.478 2.485 10 0 DEAEHO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC1CC[NH2+]CC1 ZINC000261805687 277103976 /nfs/dbraw/zinc/10/39/76/277103976.db2.gz HIATWQWKUNETJQ-SJORKVTESA-N 1 3 308.466 2.430 10 0 DEAEHO C[C@@H]1CN(C[C@H]2CCCN2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000246166584 297027401 /nfs/dbraw/zinc/02/74/01/297027401.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCCN2CCCC2)C[C@H](C)O1 ZINC000246166584 297027403 /nfs/dbraw/zinc/02/74/03/297027403.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCCN2CCCC2)C[C@H](C)O1 ZINC000246166584 297027405 /nfs/dbraw/zinc/02/74/05/297027405.db2.gz BWJHEYZRPOCLNR-FGTMMUONSA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000188076507 533832057 /nfs/dbraw/zinc/83/20/57/533832057.db2.gz ALNNTBZMGDKZCR-HNNXBMFYSA-N 1 3 306.450 2.440 10 0 DEAEHO CN(C)CCOc1cccc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000262513344 535913604 /nfs/dbraw/zinc/91/36/04/535913604.db2.gz NDDFICBHJOEQFJ-UHFFFAOYSA-N 1 3 313.401 2.338 10 0 DEAEHO CN(C)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000262547603 536048927 /nfs/dbraw/zinc/04/89/27/536048927.db2.gz RXIWSEXIGSJXIJ-MRXNPFEDSA-N 1 3 303.450 2.143 10 0 DEAEHO O[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638683 792982685 /nfs/dbraw/zinc/98/26/85/792982685.db2.gz PUYHTDDGTYRZBK-QXCZDIPSSA-N 1 3 300.446 2.400 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000136665999 282089041 /nfs/dbraw/zinc/08/90/41/282089041.db2.gz MDPJIHZHYADDKF-KLAILNCOSA-N 1 3 324.513 2.280 10 0 DEAEHO [NH3+]C[C@H]1CC[C@@H](CNCc2sccc2Br)O1 ZINC000087575936 185228807 /nfs/dbraw/zinc/22/88/07/185228807.db2.gz SFXAJSVJTQSGCQ-BDAKNGLRSA-N 1 3 305.241 2.107 10 0 DEAEHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000181559543 539651624 /nfs/dbraw/zinc/65/16/24/539651624.db2.gz VMUMHJQIUIPDJJ-YESZJQIVSA-N 1 3 312.498 2.407 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000309730798 539878279 /nfs/dbraw/zinc/87/82/79/539878279.db2.gz OZRONCHGRXLOMA-NVXWUHKLSA-N 1 3 303.450 2.013 10 0 DEAEHO CC[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262665949 356343690 /nfs/dbraw/zinc/34/36/90/356343690.db2.gz JTABYAWCOOKKKW-BPQIPLTHSA-N 1 3 315.461 2.067 10 0 DEAEHO CSC1(C[NH3+])CCN(C[C@@H]2OCCc3ccccc32)CC1 ZINC000091472968 193061583 /nfs/dbraw/zinc/06/15/83/193061583.db2.gz IFCOMOFMBQUEIU-INIZCTEOSA-N 1 3 306.475 2.457 10 0 DEAEHO Brc1cnccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532904 367238012 /nfs/dbraw/zinc/23/80/12/367238012.db2.gz XVLSTQCXOYAFGV-TXEJJXNPSA-N 1 3 310.239 2.276 10 0 DEAEHO C[NH2+]CCOCCN(C)Cc1ccc(Br)cc1 ZINC000629562738 367253525 /nfs/dbraw/zinc/25/35/25/367253525.db2.gz GDAJKIVIXZOIMM-UHFFFAOYSA-N 1 3 301.228 2.117 10 0 DEAEHO CCCN[C@@]1(CO)CC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857096 193319475 /nfs/dbraw/zinc/31/94/75/193319475.db2.gz ZYICVWIUZJKNEX-IRXDYDNUSA-N 1 3 300.487 2.407 10 0 DEAEHO CCCN[C@@]1(CO)CC[C@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857096 193319477 /nfs/dbraw/zinc/31/94/77/193319477.db2.gz ZYICVWIUZJKNEX-IRXDYDNUSA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+][C@@]1(CO)CC[C@H](N(CCOC)C(CC)CC)C1 ZINC000093857096 193319479 /nfs/dbraw/zinc/31/94/79/193319479.db2.gz ZYICVWIUZJKNEX-IRXDYDNUSA-N 1 3 300.487 2.407 10 0 DEAEHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(Br)cc2N)C1 ZINC000094048044 193341895 /nfs/dbraw/zinc/34/18/95/193341895.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 1 3 312.255 2.415 10 0 DEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(Br)cc2N)C1 ZINC000094048044 193341897 /nfs/dbraw/zinc/34/18/97/193341897.db2.gz XAXSUEXHKDMQNP-LLVKDONJSA-N 1 3 312.255 2.415 10 0 DEAEHO CC(C)[NH2+]CC1CCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644249 193389540 /nfs/dbraw/zinc/38/95/40/193389540.db2.gz BDHQJXWZOWCELT-CVEARBPZSA-N 1 3 316.511 2.052 10 0 DEAEHO C[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCN(C)C ZINC000111130450 194393376 /nfs/dbraw/zinc/39/33/76/194393376.db2.gz FEYGCZUKQLZQRY-JOYOIKCWSA-N 1 3 320.300 2.392 10 0 DEAEHO CCCNCc1c(N2CC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000062966986 184262817 /nfs/dbraw/zinc/26/28/17/184262817.db2.gz XNANZOQWJRCHRZ-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO CCN[C@@H](c1c(Br)cnn1CC[NH+](C)C)C1CC1 ZINC000158769654 197300443 /nfs/dbraw/zinc/30/04/43/197300443.db2.gz VORYVBJZVCFUPG-GFCCVEGCSA-N 1 3 315.259 2.268 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@@H+]1C ZINC000357407876 133075808 /nfs/dbraw/zinc/07/58/08/133075808.db2.gz FPKYMJNUWMDRDL-CRAIPNDOSA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)CC[N@H+]1C ZINC000357407876 133075809 /nfs/dbraw/zinc/07/58/09/133075809.db2.gz FPKYMJNUWMDRDL-CRAIPNDOSA-N 1 3 315.461 2.495 10 0 DEAEHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N(C)C ZINC000357881695 133107168 /nfs/dbraw/zinc/10/71/68/133107168.db2.gz RQNWKSMKMCMYRH-CCNLRDMRSA-N 1 3 315.461 2.248 10 0 DEAEHO Cn1c2ccc(CN3CCC4(C3)CC[NH2+]CC4)cc2sc1=O ZINC000261990521 145251474 /nfs/dbraw/zinc/25/14/74/145251474.db2.gz KFHSWKAHTDGBEJ-UHFFFAOYSA-N 1 3 317.458 2.176 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262335520 145277209 /nfs/dbraw/zinc/27/72/09/145277209.db2.gz SEDPEQXZCUQFGN-CGLCSIQHSA-N 1 3 307.482 2.131 10 0 DEAEHO Cc1ccc([C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000262411464 145281781 /nfs/dbraw/zinc/28/17/81/145281781.db2.gz QPEQOUBTODXBCB-QAPCUYQASA-N 1 3 315.461 2.104 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000113579963 401782430 /nfs/dbraw/zinc/78/24/30/401782430.db2.gz UZKXBPCZLNZZRI-HZPDHXFCSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000113579963 401782433 /nfs/dbraw/zinc/78/24/33/401782433.db2.gz UZKXBPCZLNZZRI-HZPDHXFCSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136814519 401974624 /nfs/dbraw/zinc/97/46/24/401974624.db2.gz CYNRSGBFDVKAAT-INIZCTEOSA-N 1 3 324.513 2.377 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000156441936 402283048 /nfs/dbraw/zinc/28/30/48/402283048.db2.gz PUFSYWGMSSNHPG-WMLDXEAASA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000156441936 402283050 /nfs/dbraw/zinc/28/30/50/402283050.db2.gz PUFSYWGMSSNHPG-WMLDXEAASA-N 1 3 301.434 2.057 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)NCCN2CCC(C)CC2)CC1 ZINC000157745720 402298049 /nfs/dbraw/zinc/29/80/49/402298049.db2.gz IOCPUWDVNQIUBC-UHFFFAOYSA-N 1 3 324.513 2.140 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1ccccc1Br ZINC000234732046 402360767 /nfs/dbraw/zinc/36/07/67/402360767.db2.gz XBFHAFALQBKBLX-GFCCVEGCSA-N 1 3 301.228 2.293 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000177057809 402364883 /nfs/dbraw/zinc/36/48/83/402364883.db2.gz CFOIXTTZQHGWTI-KFWWJZLASA-N 1 3 312.479 2.040 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@H](O)COCc2cccs2)CC[N@H+]1C ZINC000177057809 402364887 /nfs/dbraw/zinc/36/48/87/402364887.db2.gz CFOIXTTZQHGWTI-KFWWJZLASA-N 1 3 312.479 2.040 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@@H+]1C ZINC000177057774 402365148 /nfs/dbraw/zinc/36/51/48/402365148.db2.gz LBMXIXOWOSJUAK-PVAVHDDUSA-N 1 3 324.440 2.118 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2ccccc2F)CC[N@H+]1C ZINC000177057774 402365149 /nfs/dbraw/zinc/36/51/49/402365149.db2.gz LBMXIXOWOSJUAK-PVAVHDDUSA-N 1 3 324.440 2.118 10 0 DEAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246032084 402504259 /nfs/dbraw/zinc/50/42/59/402504259.db2.gz MOSNPQKBXYFNMM-HUUCEWRRSA-N 1 3 303.454 2.277 10 0 DEAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246032084 402504263 /nfs/dbraw/zinc/50/42/63/402504263.db2.gz MOSNPQKBXYFNMM-HUUCEWRRSA-N 1 3 303.454 2.277 10 0 DEAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855490 402533131 /nfs/dbraw/zinc/53/31/31/402533131.db2.gz HVMBEFWYHAZBJH-QZTJIDSGSA-N 1 3 315.461 2.061 10 0 DEAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855490 402533135 /nfs/dbraw/zinc/53/31/35/402533135.db2.gz HVMBEFWYHAZBJH-QZTJIDSGSA-N 1 3 315.461 2.061 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248452617 402591354 /nfs/dbraw/zinc/59/13/54/402591354.db2.gz GMBYEJIPXNDABN-DLBZAZTESA-N 1 3 324.513 2.377 10 0 DEAEHO C[C@@H]1C[C@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000179743373 402599839 /nfs/dbraw/zinc/59/98/39/402599839.db2.gz ULZVKVHXZCHWBT-HUUCEWRRSA-N 1 3 318.465 2.449 10 0 DEAEHO C[C@@H]1C[C@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000179743373 402599841 /nfs/dbraw/zinc/59/98/41/402599841.db2.gz ULZVKVHXZCHWBT-HUUCEWRRSA-N 1 3 318.465 2.449 10 0 DEAEHO CCC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)C ZINC000181473540 402646567 /nfs/dbraw/zinc/64/65/67/402646567.db2.gz SMJDCUYUQPQCCF-BFYDXBDKSA-N 1 3 309.498 2.486 10 0 DEAEHO CCC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)C ZINC000181473540 402646570 /nfs/dbraw/zinc/64/65/70/402646570.db2.gz SMJDCUYUQPQCCF-BFYDXBDKSA-N 1 3 309.498 2.486 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000173278369 402690862 /nfs/dbraw/zinc/69/08/62/402690862.db2.gz UTYDXSMHXXUJFT-UKRRQHHQSA-N 1 3 324.513 2.420 10 0 DEAEHO C([C@H]1CCOC1)N1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066326 /nfs/dbraw/zinc/06/63/26/404066326.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 1 3 322.493 2.237 10 0 DEAEHO C([C@H]1CCOC1)N1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066336 /nfs/dbraw/zinc/06/63/36/404066336.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 1 3 322.493 2.237 10 0 DEAEHO C([C@H]1CCOC1)[N@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066344 /nfs/dbraw/zinc/06/63/44/404066344.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 1 3 322.493 2.237 10 0 DEAEHO C([C@H]1CCOC1)[N@@H+]1CCC[C@@]2(CCCN(C[C@@H]3CCOC3)C2)C1 ZINC000351998709 404066357 /nfs/dbraw/zinc/06/63/57/404066357.db2.gz XVOUXMJZMARCPG-CEXWTWQISA-N 1 3 322.493 2.237 10 0 DEAEHO CCC[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)OC ZINC000397595390 405058426 /nfs/dbraw/zinc/05/84/26/405058426.db2.gz PDQRCFGWTGKYKB-GOSISDBHSA-N 1 3 320.477 2.418 10 0 DEAEHO O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)F ZINC000436287249 405067184 /nfs/dbraw/zinc/06/71/84/405067184.db2.gz ISZJYPQYEDTOMW-JONQDZQNSA-N 1 3 310.388 2.398 10 0 DEAEHO [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000638079188 406558520 /nfs/dbraw/zinc/55/85/20/406558520.db2.gz CHOYSEPFVYTAPY-ROUUACIJSA-N 1 3 313.445 2.205 10 0 DEAEHO [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000638079186 406558599 /nfs/dbraw/zinc/55/85/99/406558599.db2.gz CHOYSEPFVYTAPY-MSOLQXFVSA-N 1 3 313.445 2.205 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256163 406633887 /nfs/dbraw/zinc/63/38/87/406633887.db2.gz CQWNFLYYVDTHNO-NJAFHUGGSA-N 1 3 315.461 2.107 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000572256163 406633894 /nfs/dbraw/zinc/63/38/94/406633894.db2.gz CQWNFLYYVDTHNO-NJAFHUGGSA-N 1 3 315.461 2.107 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000129027391 196012961 /nfs/dbraw/zinc/01/29/61/196012961.db2.gz FXNMBCUQKBWVBQ-JKSUJKDBSA-N 1 3 312.502 2.136 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390750916 424917578 /nfs/dbraw/zinc/91/75/78/424917578.db2.gz SIIXPVXWJJQBFX-IAGOWNOFSA-N 1 3 303.450 2.141 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157379931 276374844 /nfs/dbraw/zinc/37/48/44/276374844.db2.gz VOSQCIRWQLUXOM-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO C[NH+](C)CCn1ncc(Br)c1[C@@H]1CCCCCN1 ZINC000162997583 517905706 /nfs/dbraw/zinc/90/57/06/517905706.db2.gz HGVPWJFAXUHHJT-LBPRGKRZSA-N 1 3 315.259 2.412 10 0 DEAEHO CN1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000248851629 523987635 /nfs/dbraw/zinc/98/76/35/523987635.db2.gz BIGVVKWXBXGFOX-ZWKOTPCHSA-N 1 3 309.413 2.321 10 0 DEAEHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000262547601 536046801 /nfs/dbraw/zinc/04/68/01/536046801.db2.gz RXIWSEXIGSJXIJ-INIZCTEOSA-N 1 3 303.450 2.143 10 0 DEAEHO [NH3+][C@H](CC1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379659460 685393350 /nfs/dbraw/zinc/39/33/50/685393350.db2.gz ARYYMYQGYZXCJF-ZWKOTPCHSA-N 1 3 315.461 2.285 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000194693573 685075638 /nfs/dbraw/zinc/07/56/38/685075638.db2.gz XIIBCEHXBORKDW-MRXNPFEDSA-N 1 3 312.502 2.282 10 0 DEAEHO CN1CCCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710861832 1086689695 /nfs/dbraw/zinc/68/96/95/1086689695.db2.gz BCIJUDARZIKBML-AWEZNQCLSA-N 1 3 311.470 2.175 10 0 DEAEHO [NH3+]C[C@H]1CC[C@H](CNCc2sccc2Br)O1 ZINC000087575937 185228622 /nfs/dbraw/zinc/22/86/22/185228622.db2.gz SFXAJSVJTQSGCQ-RKDXNWHRSA-N 1 3 305.241 2.107 10 0 DEAEHO CCN[C@H]1COC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495468 185299005 /nfs/dbraw/zinc/29/90/05/185299005.db2.gz YFZRVLWQFOVJJH-CABZTGNLSA-N 1 3 319.268 2.225 10 0 DEAEHO CCN[C@@H]1COC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495472 185299068 /nfs/dbraw/zinc/29/90/68/185299068.db2.gz YFZRVLWQFOVJJH-BXKDBHETSA-N 1 3 319.268 2.225 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309693228 539878193 /nfs/dbraw/zinc/87/81/93/539878193.db2.gz CITYAIDGDOODMW-DLBZAZTESA-N 1 3 303.450 2.093 10 0 DEAEHO C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000184601707 356194077 /nfs/dbraw/zinc/19/40/77/356194077.db2.gz UTDCQDQXTYAQNQ-GDBMZVCRSA-N 1 3 305.466 2.430 10 0 DEAEHO CCC[NH2+][C@H]1[C@@H](CN(CCC)CCO)C(C)(C)OC1(C)C ZINC000094428445 193368363 /nfs/dbraw/zinc/36/83/63/193368363.db2.gz KDRUVYKKDIOFLY-CABCVRRESA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@H]1[C@@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428445 193368365 /nfs/dbraw/zinc/36/83/65/193368365.db2.gz KDRUVYKKDIOFLY-CABCVRRESA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@H]1[C@@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428445 193368367 /nfs/dbraw/zinc/36/83/67/193368367.db2.gz KDRUVYKKDIOFLY-CABCVRRESA-N 1 3 300.487 2.263 10 0 DEAEHO CCN[C@H]1[C@@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430086 193368690 /nfs/dbraw/zinc/36/86/90/193368690.db2.gz HKAUMPAKDNSOKI-KGLIPLIRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@H]1[C@@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430086 193368691 /nfs/dbraw/zinc/36/86/91/193368691.db2.gz HKAUMPAKDNSOKI-KGLIPLIRSA-N 1 3 300.487 2.261 10 0 DEAEHO CC1(C)CSC[C@](CN)([N@@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000094489553 193373341 /nfs/dbraw/zinc/37/33/41/193373341.db2.gz MCEYGPWOQSVSMN-RDJZCZTQSA-N 1 3 311.539 2.407 10 0 DEAEHO CC1(C)CSC[C@](CN)([N@H+]2CC[C@H](N3CCCCC3)C2)C1 ZINC000094489553 193373343 /nfs/dbraw/zinc/37/33/43/193373343.db2.gz MCEYGPWOQSVSMN-RDJZCZTQSA-N 1 3 311.539 2.407 10 0 DEAEHO CC1(C)CSC[C@](C[NH3+])(N2CC[C@H](N3CCCCC3)C2)C1 ZINC000094489553 193373345 /nfs/dbraw/zinc/37/33/45/193373345.db2.gz MCEYGPWOQSVSMN-RDJZCZTQSA-N 1 3 311.539 2.407 10 0 DEAEHO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCN(C)C ZINC000111129976 194393567 /nfs/dbraw/zinc/39/35/67/194393567.db2.gz SWJYJCLVRISXRB-SMDDNHRTSA-N 1 3 314.271 2.331 10 0 DEAEHO CC(C)[NH2+]CCN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191536063 145060391 /nfs/dbraw/zinc/06/03/91/145060391.db2.gz WQNXNTPDUGZTSL-IAGOWNOFSA-N 1 3 311.514 2.196 10 0 DEAEHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922039 145241479 /nfs/dbraw/zinc/24/14/79/145241479.db2.gz IAFGLHVIGCCCRS-ZIAGYGMSSA-N 1 3 307.413 2.064 10 0 DEAEHO COCC[C@@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230950 148221057 /nfs/dbraw/zinc/22/10/57/148221057.db2.gz OLNKXLSUAVSEEG-OKYOBFRVSA-N 1 3 318.461 2.169 10 0 DEAEHO COCC[C@@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374230950 148221059 /nfs/dbraw/zinc/22/10/59/148221059.db2.gz OLNKXLSUAVSEEG-OKYOBFRVSA-N 1 3 318.461 2.169 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000177012680 402359362 /nfs/dbraw/zinc/35/93/62/402359362.db2.gz YYQDKNDOGYZFHE-KRWDZBQOSA-N 1 3 303.450 2.305 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000177012680 402359363 /nfs/dbraw/zinc/35/93/63/402359363.db2.gz YYQDKNDOGYZFHE-KRWDZBQOSA-N 1 3 303.450 2.305 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000245467870 402464147 /nfs/dbraw/zinc/46/41/47/402464147.db2.gz KGDFCSPPYOOFSY-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245467870 402464150 /nfs/dbraw/zinc/46/41/50/402464150.db2.gz KGDFCSPPYOOFSY-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245681303 402478545 /nfs/dbraw/zinc/47/85/45/402478545.db2.gz VGZVNMNPEHEAOQ-SJORKVTESA-N 1 3 318.465 2.071 10 0 DEAEHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245681303 402478546 /nfs/dbraw/zinc/47/85/46/402478546.db2.gz VGZVNMNPEHEAOQ-SJORKVTESA-N 1 3 318.465 2.071 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000246856422 402547431 /nfs/dbraw/zinc/54/74/31/402547431.db2.gz BSKJYOFOTSVNAH-WMHQRMGPSA-N 1 3 304.434 2.317 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000246856422 402547434 /nfs/dbraw/zinc/54/74/34/402547434.db2.gz BSKJYOFOTSVNAH-WMHQRMGPSA-N 1 3 304.434 2.317 10 0 DEAEHO CC(C)[C@@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172383904 402653397 /nfs/dbraw/zinc/65/33/97/402653397.db2.gz ZWQVYHBNWCMGQJ-HNNXBMFYSA-N 1 3 324.513 2.136 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000192596452 402739317 /nfs/dbraw/zinc/73/93/17/402739317.db2.gz UCJWMZFANCMDGM-PBHICJAKSA-N 1 3 307.482 2.050 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000192596452 402739318 /nfs/dbraw/zinc/73/93/18/402739318.db2.gz UCJWMZFANCMDGM-PBHICJAKSA-N 1 3 307.482 2.050 10 0 DEAEHO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000390778660 424917659 /nfs/dbraw/zinc/91/76/59/424917659.db2.gz PGJSPOGGDJQLAK-OOHWJJMZSA-N 1 3 303.450 2.141 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085401170 267387502 /nfs/dbraw/zinc/38/75/02/267387502.db2.gz PNBCAHWLBVIXRB-DOTOQJQBSA-N 1 3 324.513 2.090 10 0 DEAEHO C(CN1CCC[C@@]2(CCOC2)C1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910381 269141309 /nfs/dbraw/zinc/14/13/09/269141309.db2.gz NEIFBNGFIZBWDS-RTBURBONSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CCC[C@@]2(CCOC2)C1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910381 269141310 /nfs/dbraw/zinc/14/13/10/269141310.db2.gz NEIFBNGFIZBWDS-RTBURBONSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CCC[C@@]2(CCOC2)C1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910379 269141395 /nfs/dbraw/zinc/14/13/95/269141395.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CCC[C@@]2(CCOC2)C1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910379 269141396 /nfs/dbraw/zinc/14/13/96/269141396.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CCC[C@]2(CCOC2)C1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910379 269141397 /nfs/dbraw/zinc/14/13/97/269141397.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CCC[C@]2(CCOC2)C1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451910379 269141398 /nfs/dbraw/zinc/14/13/98/269141398.db2.gz NEIFBNGFIZBWDS-KDURUIRLSA-N 1 3 322.493 2.382 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182376084 279123910 /nfs/dbraw/zinc/12/39/10/279123910.db2.gz AVANSJHXFFACOW-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182376084 279123912 /nfs/dbraw/zinc/12/39/12/279123912.db2.gz AVANSJHXFFACOW-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111884278 521601093 /nfs/dbraw/zinc/60/10/93/521601093.db2.gz ZLTNIQVQIRQYJB-KRWDZBQOSA-N 1 3 322.497 2.131 10 0 DEAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247073165 536168120 /nfs/dbraw/zinc/16/81/20/536168120.db2.gz YQZCKBMIWITZEO-ROUUACIJSA-N 1 3 315.461 2.447 10 0 DEAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247073165 536168123 /nfs/dbraw/zinc/16/81/23/536168123.db2.gz YQZCKBMIWITZEO-ROUUACIJSA-N 1 3 315.461 2.447 10 0 DEAEHO COC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716619996 792978299 /nfs/dbraw/zinc/97/82/99/792978299.db2.gz JYRDRCPQZVGXLK-RDGPPVDQSA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@H](CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619996 792978303 /nfs/dbraw/zinc/97/83/03/792978303.db2.gz JYRDRCPQZVGXLK-RDGPPVDQSA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@H](CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716619996 792978308 /nfs/dbraw/zinc/97/83/08/792978308.db2.gz JYRDRCPQZVGXLK-RDGPPVDQSA-N 1 3 318.461 2.291 10 0 DEAEHO CNC(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734585 793005474 /nfs/dbraw/zinc/00/54/74/793005474.db2.gz WEPXOBXBVZCEEM-SPUZQDLCSA-N 1 3 315.461 2.154 10 0 DEAEHO C[C@@H](CO)CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925122 1086626834 /nfs/dbraw/zinc/62/68/34/1086626834.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 1 3 302.462 2.459 10 0 DEAEHO C[C@@H](CO)CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925122 1086626836 /nfs/dbraw/zinc/62/68/36/1086626836.db2.gz CDVHHFOBTFQKII-QRQLOZEOSA-N 1 3 302.462 2.459 10 0 DEAEHO CCN1CC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711426595 1087101112 /nfs/dbraw/zinc/10/11/12/1087101112.db2.gz UHQASGMQSFOXRC-KFWWJZLASA-N 1 3 311.470 2.221 10 0 DEAEHO CCC[NH2+][C@@](C)(CCCCN(C)CCC(F)(F)F)C(N)=O ZINC000088434914 185250031 /nfs/dbraw/zinc/25/00/31/185250031.db2.gz JIIHAYCQGZXEDK-ZDUSSCGKSA-N 1 3 311.392 2.285 10 0 DEAEHO CN(C)CCN[C@@H](C[NH3+])c1cc(Cl)ccc1Br ZINC000090251829 185288246 /nfs/dbraw/zinc/28/82/46/185288246.db2.gz LYIHSEIMSCSHJK-LBPRGKRZSA-N 1 3 320.662 2.254 10 0 DEAEHO C[NH+](C)CCCN1Cc2c(cccc2C(F)(F)F)[C@H]1CN ZINC000071684158 191007939 /nfs/dbraw/zinc/00/79/39/191007939.db2.gz KRTUYPCKJRZJDY-CQSZACIVSA-N 1 3 301.356 2.473 10 0 DEAEHO C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@H]1CN(C)CCN1C ZINC000149591131 186051747 /nfs/dbraw/zinc/05/17/47/186051747.db2.gz MWSFJHPSLYDMAG-STQMWFEESA-N 1 3 313.848 2.246 10 0 DEAEHO Brc1cnccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000629532248 367238387 /nfs/dbraw/zinc/23/83/87/367238387.db2.gz SIJWNXNFLWEVQE-UHFFFAOYSA-N 1 3 310.239 2.420 10 0 DEAEHO C[C@H]1CN(CCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631837488 368415434 /nfs/dbraw/zinc/41/54/34/368415434.db2.gz BVRKVULLWIZVGA-RYUDHWBXSA-N 1 3 313.239 2.355 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@H]([N@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783249 193307574 /nfs/dbraw/zinc/30/75/74/193307574.db2.gz NUMVCWHNHSDDDU-YESZJQIVSA-N 1 3 300.487 2.407 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@H]([N@@H+](CCOC)[C@@H](C)CC)C1 ZINC000093783249 193307576 /nfs/dbraw/zinc/30/75/76/193307576.db2.gz NUMVCWHNHSDDDU-YESZJQIVSA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+][C@]1(CO)CCC[C@H](N(CCOC)[C@@H](C)CC)C1 ZINC000093783249 193307577 /nfs/dbraw/zinc/30/75/77/193307577.db2.gz NUMVCWHNHSDDDU-YESZJQIVSA-N 1 3 300.487 2.407 10 0 DEAEHO CCC(CC)[N@H+](CCOC)[C@H]1CC[C@@](CO)(NC(C)C)C1 ZINC000093857100 193319462 /nfs/dbraw/zinc/31/94/62/193319462.db2.gz FYKYRVWLFFKQFA-DLBZAZTESA-N 1 3 300.487 2.405 10 0 DEAEHO CCC(CC)[N@@H+](CCOC)[C@H]1CC[C@@](CO)(NC(C)C)C1 ZINC000093857100 193319465 /nfs/dbraw/zinc/31/94/65/193319465.db2.gz FYKYRVWLFFKQFA-DLBZAZTESA-N 1 3 300.487 2.405 10 0 DEAEHO CCC(CC)N(CCOC)[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093857100 193319466 /nfs/dbraw/zinc/31/94/66/193319466.db2.gz FYKYRVWLFFKQFA-DLBZAZTESA-N 1 3 300.487 2.405 10 0 DEAEHO CN(C[C@H]1CCC[N@@H+]1C)c1nc(C(F)(F)F)ccc1CN ZINC000094334362 193360239 /nfs/dbraw/zinc/36/02/39/193360239.db2.gz ZVOLNFDFMVJNNW-LLVKDONJSA-N 1 3 302.344 2.090 10 0 DEAEHO CN(C[C@H]1CCC[N@H+]1C)c1nc(C(F)(F)F)ccc1CN ZINC000094334362 193360240 /nfs/dbraw/zinc/36/02/40/193360240.db2.gz ZVOLNFDFMVJNNW-LLVKDONJSA-N 1 3 302.344 2.090 10 0 DEAEHO C[C@H]1CN2CCCC[C@@H]2CN1CC[NH2+]CCc1ccsc1 ZINC000094443919 193370227 /nfs/dbraw/zinc/37/02/27/193370227.db2.gz KLPMHJHKRYLICU-DOTOQJQBSA-N 1 3 307.507 2.439 10 0 DEAEHO CC1(C)CSC[C@@](C[NH3+])(N2CCN(C3CCCC3)CC2)C1 ZINC000094489495 193373420 /nfs/dbraw/zinc/37/34/20/193373420.db2.gz DXWVMAKBHYDFPJ-QGZVFWFLSA-N 1 3 311.539 2.407 10 0 DEAEHO CNC(=O)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383347 245103418 /nfs/dbraw/zinc/10/34/18/245103418.db2.gz SMFNWWREVXMGTH-NRSFXHEJSA-N 1 3 315.461 2.296 10 0 DEAEHO CNC(=O)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383347 245103427 /nfs/dbraw/zinc/10/34/27/245103427.db2.gz SMFNWWREVXMGTH-NRSFXHEJSA-N 1 3 315.461 2.296 10 0 DEAEHO Cc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1CNC1CC1 ZINC000110275636 194318828 /nfs/dbraw/zinc/31/88/28/194318828.db2.gz DNVYNFKCRQPIIH-CQSZACIVSA-N 1 3 306.479 2.378 10 0 DEAEHO CCNCc1c(N2CCC[C@@H]2C[NH+](C)C)nc2sccn12 ZINC000061645980 184181344 /nfs/dbraw/zinc/18/13/44/184181344.db2.gz ZJOBELZHQLHUHD-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO C[NH+](C)[C@H]1CCN([C@@H](CN)c2ccccc2Br)C1 ZINC000062964026 184263139 /nfs/dbraw/zinc/26/31/39/184263139.db2.gz RMGGHAGXSUZBHP-FZMZJTMJSA-N 1 3 312.255 2.085 10 0 DEAEHO NNc1ccc(Cl)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000062969630 184263841 /nfs/dbraw/zinc/26/38/41/184263841.db2.gz AVNWUCXKLZGWNK-GFCCVEGCSA-N 1 3 309.845 2.081 10 0 DEAEHO CC(C)N1CCN([C@]2(C[NH3+])CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000069383432 184511445 /nfs/dbraw/zinc/51/14/45/184511445.db2.gz NFINPEDLWCNJJH-ZIAGYGMSSA-N 1 3 307.404 2.462 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000245425490 285235303 /nfs/dbraw/zinc/23/53/03/285235303.db2.gz TVRLHDLJOQNBAF-YESZJQIVSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000245425490 285235305 /nfs/dbraw/zinc/23/53/05/285235305.db2.gz TVRLHDLJOQNBAF-YESZJQIVSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245665498 285256813 /nfs/dbraw/zinc/25/68/13/285256813.db2.gz DTGIJHDXPMPGTF-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H]1CN(Cc2csc(CNC(C)(C)C)n2)C[C@@H]1[NH+](C)C ZINC000125411227 195746415 /nfs/dbraw/zinc/74/64/15/195746415.db2.gz PMNBQPMSPDZCRC-OCCSQVGLSA-N 1 3 310.511 2.413 10 0 DEAEHO C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(OCCN(C)C)c1 ZINC000188067267 533357447 /nfs/dbraw/zinc/35/74/47/533357447.db2.gz KDFGBQODABOZRT-OAHLLOKOSA-N 1 3 306.450 2.440 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000360416879 133180798 /nfs/dbraw/zinc/18/07/98/133180798.db2.gz NEUJDBTXWAEBPA-KSZLIROESA-N 1 3 311.514 2.055 10 0 DEAEHO COc1ccccc1N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000192952955 145080732 /nfs/dbraw/zinc/08/07/32/145080732.db2.gz VVVZEBSYVCTPCK-MGNMYUMUSA-N 1 3 315.461 2.489 10 0 DEAEHO COc1ccccc1N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000192952955 145080734 /nfs/dbraw/zinc/08/07/34/145080734.db2.gz VVVZEBSYVCTPCK-MGNMYUMUSA-N 1 3 315.461 2.489 10 0 DEAEHO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000246303345 145098268 /nfs/dbraw/zinc/09/82/68/145098268.db2.gz WVTHAMUXIRQZSP-BZUAXINKSA-N 1 3 307.482 2.335 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654631 145163362 /nfs/dbraw/zinc/16/33/62/145163362.db2.gz PPNNXKQBQLRZQZ-JQHSSLGASA-N 1 3 310.482 2.113 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654631 145163363 /nfs/dbraw/zinc/16/33/63/145163363.db2.gz PPNNXKQBQLRZQZ-JQHSSLGASA-N 1 3 310.482 2.113 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000252645847 145199324 /nfs/dbraw/zinc/19/93/24/145199324.db2.gz CFOIXTTZQHGWTI-RBSFLKMASA-N 1 3 312.479 2.040 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C[C@@H](O)COCc2cccs2)CC[N@H+]1C ZINC000252645847 145199325 /nfs/dbraw/zinc/19/93/25/145199325.db2.gz CFOIXTTZQHGWTI-RBSFLKMASA-N 1 3 312.479 2.040 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261549154 145207217 /nfs/dbraw/zinc/20/72/17/145207217.db2.gz OGTAHBCRDAIHPY-KURKYZTESA-N 1 3 315.461 2.237 10 0 DEAEHO CCN(C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960260 145246937 /nfs/dbraw/zinc/24/69/37/145246937.db2.gz HFFQQPNZQBWVQC-ZIAGYGMSSA-N 1 3 307.404 2.192 10 0 DEAEHO CCN1CCN(c2ccccc2CN2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000261931486 145243385 /nfs/dbraw/zinc/24/33/85/145243385.db2.gz CVYDHAYLXXINDD-GOSISDBHSA-N 1 3 316.493 2.012 10 0 DEAEHO CC(C)(C)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000262071676 145259184 /nfs/dbraw/zinc/25/91/84/145259184.db2.gz GCIHINIQRYRSCX-ZDUSSCGKSA-N 1 3 323.506 2.333 10 0 DEAEHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000075163157 401753422 /nfs/dbraw/zinc/75/34/22/401753422.db2.gz RCOUPXJYSGTHHS-AYHJJNSGSA-N 1 3 315.461 2.493 10 0 DEAEHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000075163157 401753423 /nfs/dbraw/zinc/75/34/23/401753423.db2.gz RCOUPXJYSGTHHS-AYHJJNSGSA-N 1 3 315.461 2.493 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)NCCN2CCCC[C@@H]2C)CC1 ZINC000080582906 401890708 /nfs/dbraw/zinc/89/07/08/401890708.db2.gz CAZZIPDXUOKWHN-INIZCTEOSA-N 1 3 324.513 2.282 10 0 DEAEHO CC1(C)CC(NC(=O)N2CCCN(C3CC3)CC2)CC(C)(C)[NH2+]1 ZINC000061794161 402108805 /nfs/dbraw/zinc/10/88/05/402108805.db2.gz XZVNBRNYLLIDPQ-UHFFFAOYSA-N 1 3 322.497 2.175 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000176278139 402296281 /nfs/dbraw/zinc/29/62/81/402296281.db2.gz ZHGWEIBGFARXDE-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000176278139 402296282 /nfs/dbraw/zinc/29/62/82/402296282.db2.gz ZHGWEIBGFARXDE-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1ccc(Br)s1 ZINC000234793821 402360891 /nfs/dbraw/zinc/36/08/91/402360891.db2.gz BFCMCBDQYVGGJG-VIFPVBQESA-N 1 3 307.257 2.354 10 0 DEAEHO CCC[C@@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)N(C)C ZINC000161727735 402397213 /nfs/dbraw/zinc/39/72/13/402397213.db2.gz JCEYSLQSVVRHDF-KRWDZBQOSA-N 1 3 305.466 2.485 10 0 DEAEHO CCC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)N(C)C ZINC000161727735 402397214 /nfs/dbraw/zinc/39/72/14/402397214.db2.gz JCEYSLQSVVRHDF-KRWDZBQOSA-N 1 3 305.466 2.485 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000177314536 402390512 /nfs/dbraw/zinc/39/05/12/402390512.db2.gz XEXSCALNSPEGAB-INIZCTEOSA-N 1 3 324.513 2.377 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000177314536 402390514 /nfs/dbraw/zinc/39/05/14/402390514.db2.gz XEXSCALNSPEGAB-INIZCTEOSA-N 1 3 324.513 2.377 10 0 DEAEHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000245897865 402495479 /nfs/dbraw/zinc/49/54/79/402495479.db2.gz NLKWDPWJJSCQRT-BRWVUGGUSA-N 1 3 310.482 2.161 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000246199111 402517853 /nfs/dbraw/zinc/51/78/53/402517853.db2.gz MWZOKDYKCCHBGS-BBWFWOEESA-N 1 3 324.513 2.231 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000246199111 402517855 /nfs/dbraw/zinc/51/78/55/402517855.db2.gz MWZOKDYKCCHBGS-BBWFWOEESA-N 1 3 324.513 2.231 10 0 DEAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855498 402533233 /nfs/dbraw/zinc/53/32/33/402533233.db2.gz HVMBEFWYHAZBJH-ROUUACIJSA-N 1 3 315.461 2.061 10 0 DEAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855498 402533236 /nfs/dbraw/zinc/53/32/36/402533236.db2.gz HVMBEFWYHAZBJH-ROUUACIJSA-N 1 3 315.461 2.061 10 0 DEAEHO CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1CCC(C(=O)OC)CC1 ZINC000180338954 402613620 /nfs/dbraw/zinc/61/36/20/402613620.db2.gz WHFAGBAPRIRGKS-FJBKBRRZSA-N 1 3 322.449 2.051 10 0 DEAEHO CC[N@H+]1CCC2CCC(C1)N2C(=O)C1CCC(C(=O)OC)CC1 ZINC000180338954 402613623 /nfs/dbraw/zinc/61/36/23/402613623.db2.gz WHFAGBAPRIRGKS-FJBKBRRZSA-N 1 3 322.449 2.051 10 0 DEAEHO CCCn1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000172044005 402638245 /nfs/dbraw/zinc/63/82/45/402638245.db2.gz AMBBUYSHZCPNJY-HOTGVXAUSA-N 1 3 308.470 2.272 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000174387522 402739100 /nfs/dbraw/zinc/73/91/00/402739100.db2.gz MCXGQCXQFZQYGV-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCC(C)CC1 ZINC000174387522 402739101 /nfs/dbraw/zinc/73/91/01/402739101.db2.gz MCXGQCXQFZQYGV-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000194131292 402785128 /nfs/dbraw/zinc/78/51/28/402785128.db2.gz GZUJWMUNEXKORO-OAHLLOKOSA-N 1 3 310.486 2.034 10 0 DEAEHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000638852138 405715081 /nfs/dbraw/zinc/71/50/81/405715081.db2.gz VDKUMFMEIHMWIZ-ZWKOTPCHSA-N 1 3 315.461 2.157 10 0 DEAEHO O=C1CC[C@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347664 405848052 /nfs/dbraw/zinc/84/80/52/405848052.db2.gz IPTLPQXRFPRNSO-ROUUACIJSA-N 1 3 321.509 2.491 10 0 DEAEHO CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000638074375 406556028 /nfs/dbraw/zinc/55/60/28/406556028.db2.gz MDCKXTXSQAHGOB-ROUUACIJSA-N 1 3 313.445 2.157 10 0 DEAEHO c1c(CNCC2CCN(c3cc[nH+]cc3)CC2)nc2ncccn12 ZINC000297583918 227332730 /nfs/dbraw/zinc/33/27/30/227332730.db2.gz IQYBXUAWLCALNV-UHFFFAOYSA-N 1 3 322.416 2.131 10 0 DEAEHO C[C@H](CC(N)=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192833 269303656 /nfs/dbraw/zinc/30/36/56/269303656.db2.gz QNHKSXXYTYAHFG-DZUCGIPZSA-N 1 3 301.434 2.036 10 0 DEAEHO C[C@H](CC(N)=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192833 269303658 /nfs/dbraw/zinc/30/36/58/269303658.db2.gz QNHKSXXYTYAHFG-DZUCGIPZSA-N 1 3 301.434 2.036 10 0 DEAEHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919024 279263349 /nfs/dbraw/zinc/26/33/49/279263349.db2.gz UJNSPZGHJAQEFE-QGZVFWFLSA-N 1 3 307.482 2.195 10 0 DEAEHO C(c1nnc([C@H]2CCCN(C3CC[NH2+]CC3)C2)[nH]1)C1CCC1 ZINC000584615376 337372719 /nfs/dbraw/zinc/37/27/19/337372719.db2.gz PKSWWKCPKHWTHL-AWEZNQCLSA-N 1 3 303.454 2.079 10 0 DEAEHO C(c1nc([C@H]2CCCN(C3CC[NH2+]CC3)C2)n[nH]1)C1CCC1 ZINC000584615376 337372720 /nfs/dbraw/zinc/37/27/20/337372720.db2.gz PKSWWKCPKHWTHL-AWEZNQCLSA-N 1 3 303.454 2.079 10 0 DEAEHO C(c1n[nH]c([C@H]2CCCN(C3CC[NH2+]CC3)C2)n1)C1CCC1 ZINC000584615376 337372721 /nfs/dbraw/zinc/37/27/21/337372721.db2.gz PKSWWKCPKHWTHL-AWEZNQCLSA-N 1 3 303.454 2.079 10 0 DEAEHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@H](C)[NH3+] ZINC000248873765 521270595 /nfs/dbraw/zinc/27/05/95/521270595.db2.gz PQZYILIFCZXFOY-WMZOPIPTSA-N 1 3 317.477 2.484 10 0 DEAEHO CC1=CCN(CCNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000447834586 528117561 /nfs/dbraw/zinc/11/75/61/528117561.db2.gz LNOLIKGGCGBFMB-UHFFFAOYSA-N 1 3 322.497 2.060 10 0 DEAEHO CC1=CCN(CCNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000447834586 528117567 /nfs/dbraw/zinc/11/75/67/528117567.db2.gz LNOLIKGGCGBFMB-UHFFFAOYSA-N 1 3 322.497 2.060 10 0 DEAEHO Cc1cc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nc(N)n1 ZINC000397915451 790230933 /nfs/dbraw/zinc/23/09/33/790230933.db2.gz GMYHMLXELQMUBR-SFHVURJKSA-N 1 3 311.433 2.086 10 0 DEAEHO Cc1cc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)nc(N)n1 ZINC000397915451 790230937 /nfs/dbraw/zinc/23/09/37/790230937.db2.gz GMYHMLXELQMUBR-SFHVURJKSA-N 1 3 311.433 2.086 10 0 DEAEHO CC(C)c1nsc(N2CCCN(CCCCC[NH3+])CC2)n1 ZINC000087639616 185229797 /nfs/dbraw/zinc/22/97/97/185229797.db2.gz VRSJIIBVVNWENX-UHFFFAOYSA-N 1 3 311.499 2.303 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC2CCN(C)CC2)C1 ZINC000362905295 535076075 /nfs/dbraw/zinc/07/60/75/535076075.db2.gz RKFQJMVJFRSKSY-KRWDZBQOSA-N 1 3 309.498 2.203 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CC2CCN(C)CC2)C1 ZINC000362905295 535076078 /nfs/dbraw/zinc/07/60/78/535076078.db2.gz RKFQJMVJFRSKSY-KRWDZBQOSA-N 1 3 309.498 2.203 10 0 DEAEHO C[NH+](C)CCCCN1Cc2c(cc(F)c(F)c2F)[C@H]1CN ZINC000071683682 191006661 /nfs/dbraw/zinc/00/66/61/191006661.db2.gz YVFHXTBVSXWXSJ-CYBMUJFWSA-N 1 3 301.356 2.261 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000057792719 354580072 /nfs/dbraw/zinc/58/00/72/354580072.db2.gz INJHNAFOHUWBSH-INIZCTEOSA-N 1 3 310.486 2.082 10 0 DEAEHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263283824 356344603 /nfs/dbraw/zinc/34/46/03/356344603.db2.gz SZHZDJJEMNNOQC-ZKZVPCBQSA-N 1 3 321.509 2.390 10 0 DEAEHO CCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093189 240037799 /nfs/dbraw/zinc/03/77/99/240037799.db2.gz WKZQHXKMYYCTHI-GJZGRUSLSA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@@H+]1CC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093189 240037807 /nfs/dbraw/zinc/03/78/07/240037807.db2.gz WKZQHXKMYYCTHI-GJZGRUSLSA-N 1 3 324.490 2.125 10 0 DEAEHO CC[N@H+]1CC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449093189 240037813 /nfs/dbraw/zinc/03/78/13/240037813.db2.gz WKZQHXKMYYCTHI-GJZGRUSLSA-N 1 3 324.490 2.125 10 0 DEAEHO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629389020 367188252 /nfs/dbraw/zinc/18/82/52/367188252.db2.gz HZDRPZZQYSAXNW-DLBZAZTESA-N 1 3 318.461 2.468 10 0 DEAEHO CN(CC[NH+]1CCCC1)c1nc(C(F)(F)F)ccc1CN ZINC000094334287 193360214 /nfs/dbraw/zinc/36/02/14/193360214.db2.gz LRVOQEPZHNABNX-UHFFFAOYSA-N 1 3 302.344 2.091 10 0 DEAEHO CC(C)C[N@H+](CCN(C)C)[C@]1(CN)CSCCC1(C)C ZINC000094484197 193372496 /nfs/dbraw/zinc/37/24/96/193372496.db2.gz ZLULJMDAAOXQNK-MRXNPFEDSA-N 1 3 301.544 2.367 10 0 DEAEHO CC(C)C[N@@H+](CCN(C)C)[C@]1(CN)CSCCC1(C)C ZINC000094484197 193372498 /nfs/dbraw/zinc/37/24/98/193372498.db2.gz ZLULJMDAAOXQNK-MRXNPFEDSA-N 1 3 301.544 2.367 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000458454331 248315870 /nfs/dbraw/zinc/31/58/70/248315870.db2.gz JZHULWAAQAVCJB-QGZVFWFLSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105148451 194079002 /nfs/dbraw/zinc/07/90/02/194079002.db2.gz HJIZELSLEVDGPK-OAHLLOKOSA-N 1 3 312.502 2.136 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105148451 194079004 /nfs/dbraw/zinc/07/90/04/194079004.db2.gz HJIZELSLEVDGPK-OAHLLOKOSA-N 1 3 312.502 2.136 10 0 DEAEHO CCCc1nc(N2CC[C@H](N3CCCC3)C2)sc1C[NH2+]C ZINC000110275674 194318635 /nfs/dbraw/zinc/31/86/35/194318635.db2.gz BARRYSIBKORCDA-ZDUSSCGKSA-N 1 3 308.495 2.490 10 0 DEAEHO CC(C)CNCc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654692 184181193 /nfs/dbraw/zinc/18/11/93/184181193.db2.gz PJJJAKKXZSWGNI-HNNXBMFYSA-N 1 3 310.511 2.415 10 0 DEAEHO CCN(CC)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000063746247 184287180 /nfs/dbraw/zinc/28/71/80/184287180.db2.gz IJHXYXASRYAEOH-UHFFFAOYSA-N 1 3 305.466 2.485 10 0 DEAEHO CCN(CC)CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000063746247 184287181 /nfs/dbraw/zinc/28/71/81/184287181.db2.gz IJHXYXASRYAEOH-UHFFFAOYSA-N 1 3 305.466 2.485 10 0 DEAEHO CC[NH+](CC)[C@@H]1CCN(c2cc(C)nc(C)c2C(N)=S)C1 ZINC000156677020 197133277 /nfs/dbraw/zinc/13/32/77/197133277.db2.gz ZKHFWCUKTATXRI-CYBMUJFWSA-N 1 3 306.479 2.253 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131370 /nfs/dbraw/zinc/13/13/70/133131370.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@@H+]1CC[C@H](NCCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131371 /nfs/dbraw/zinc/13/13/71/133131371.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@H+]1CC[C@H](NCCN2CC=C(C)CC2)[C@@H](C)C1 ZINC000358246705 133131372 /nfs/dbraw/zinc/13/13/72/133131372.db2.gz ZQIZZOGJZVIJHS-OALUTQOASA-N 1 3 323.525 2.365 10 0 DEAEHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc2c(c1)CNC2 ZINC000261661994 145214319 /nfs/dbraw/zinc/21/43/19/145214319.db2.gz FGGIDFAZQAOFEF-UHFFFAOYSA-N 1 3 311.360 2.327 10 0 DEAEHO CC[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)N(CC)CC ZINC000261658107 145214536 /nfs/dbraw/zinc/21/45/36/145214536.db2.gz FBFKTURILZYOFB-QGZVFWFLSA-N 1 3 305.466 2.137 10 0 DEAEHO C[C@H](C(=O)N(CC[NH3+])CCc1ccccc1)N1CCCCCC1 ZINC000261700692 145218461 /nfs/dbraw/zinc/21/84/61/145218461.db2.gz JMPRWRULZSQJQV-QGZVFWFLSA-N 1 3 317.477 2.281 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262335515 145277219 /nfs/dbraw/zinc/27/72/19/145277219.db2.gz SEDPEQXZCUQFGN-BKYIEACKSA-N 1 3 307.482 2.131 10 0 DEAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000370763362 148053413 /nfs/dbraw/zinc/05/34/13/148053413.db2.gz JPUHYTYEZTXYNY-IRXDYDNUSA-N 1 3 303.450 2.142 10 0 DEAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000370763362 148053417 /nfs/dbraw/zinc/05/34/17/148053417.db2.gz JPUHYTYEZTXYNY-IRXDYDNUSA-N 1 3 303.450 2.142 10 0 DEAEHO C(CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)C[NH+]1CCCC1 ZINC000152293154 402087559 /nfs/dbraw/zinc/08/75/59/402087559.db2.gz FGASJPKLQBSNFB-HNNXBMFYSA-N 1 3 303.454 2.347 10 0 DEAEHO C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C[NH+]1CCCC1 ZINC000152293154 402087560 /nfs/dbraw/zinc/08/75/60/402087560.db2.gz FGASJPKLQBSNFB-HNNXBMFYSA-N 1 3 303.454 2.347 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000101668935 402153855 /nfs/dbraw/zinc/15/38/55/402153855.db2.gz NDCDGKJYQJMSDR-XHSDSOJGSA-N 1 3 309.498 2.486 10 0 DEAEHO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000108894871 402264017 /nfs/dbraw/zinc/26/40/17/402264017.db2.gz WVTHAMUXIRQZSP-OAGGEKHMSA-N 1 3 307.482 2.335 10 0 DEAEHO Cc1nccn1C[C@H]1CCCN1CC(=O)N(C)c1ccccc1 ZINC000178306230 402482419 /nfs/dbraw/zinc/48/24/19/402482419.db2.gz XYJIPBSOIOZWOT-QGZVFWFLSA-N 1 3 312.417 2.319 10 0 DEAEHO Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306533 402482832 /nfs/dbraw/zinc/48/28/32/402482832.db2.gz QXSBISPIFKXHFK-BBRMVZONSA-N 1 3 304.438 2.103 10 0 DEAEHO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000247182110 402559544 /nfs/dbraw/zinc/55/95/44/402559544.db2.gz LAJPAXHLENBZJJ-DLBZAZTESA-N 1 3 320.477 2.433 10 0 DEAEHO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000247182110 402559546 /nfs/dbraw/zinc/55/95/46/402559546.db2.gz LAJPAXHLENBZJJ-DLBZAZTESA-N 1 3 320.477 2.433 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000249767640 402641307 /nfs/dbraw/zinc/64/13/07/402641307.db2.gz QJAIYFFWRNMCSF-IAGOWNOFSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C ZINC000174303048 402735646 /nfs/dbraw/zinc/73/56/46/402735646.db2.gz BMUWAMUZFCESFJ-OAHLLOKOSA-N 1 3 312.502 2.090 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C ZINC000174303048 402735648 /nfs/dbraw/zinc/73/56/48/402735648.db2.gz BMUWAMUZFCESFJ-OAHLLOKOSA-N 1 3 312.502 2.090 10 0 DEAEHO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)C(C)(C)C ZINC000175014858 402771489 /nfs/dbraw/zinc/77/14/89/402771489.db2.gz CIJUUNDXAOTWPN-JKSUJKDBSA-N 1 3 322.497 2.009 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000175106252 402779676 /nfs/dbraw/zinc/77/96/76/402779676.db2.gz PBHJAFANJMCARD-WMLDXEAASA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000175106252 402779677 /nfs/dbraw/zinc/77/96/77/402779677.db2.gz PBHJAFANJMCARD-WMLDXEAASA-N 1 3 303.450 2.303 10 0 DEAEHO COC1([C@H](C)[NH2+]Cc2ccc(CN(C)C)cc2)CCOCC1 ZINC000453095479 405283456 /nfs/dbraw/zinc/28/34/56/405283456.db2.gz SNYCYFGJSNSBQL-HNNXBMFYSA-N 1 3 306.450 2.422 10 0 DEAEHO c1cncc(CNCCC[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000569437347 406253091 /nfs/dbraw/zinc/25/30/91/406253091.db2.gz VMWCMXKLJBFRSS-UHFFFAOYSA-N 1 3 302.466 2.025 10 0 DEAEHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N(C)C ZINC000554581576 406815028 /nfs/dbraw/zinc/81/50/28/406815028.db2.gz RQNWKSMKMCMYRH-NRSFXHEJSA-N 1 3 315.461 2.248 10 0 DEAEHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCN1C)CC(C)C ZINC000195125326 424880465 /nfs/dbraw/zinc/88/04/65/424880465.db2.gz IEPHGTSYGUVWQW-JKSUJKDBSA-N 1 3 312.502 2.136 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398039247 424922513 /nfs/dbraw/zinc/92/25/13/424922513.db2.gz KIKGCULHPNHHDW-CGTJXYLNSA-N 1 3 317.477 2.387 10 0 DEAEHO CN(CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425660 424932678 /nfs/dbraw/zinc/93/26/78/424932678.db2.gz KDEWXNXHZAZUDN-QZTJIDSGSA-N 1 3 315.461 2.155 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)N(C)C ZINC000161802574 276021061 /nfs/dbraw/zinc/02/10/61/276021061.db2.gz SEGLHAHQSXSERL-IRXDYDNUSA-N 1 3 305.466 2.444 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000358108320 535449898 /nfs/dbraw/zinc/44/98/98/535449898.db2.gz VRQQEYGSMWDWFN-OAHLLOKOSA-N 1 3 322.497 2.058 10 0 DEAEHO CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261550900 535976493 /nfs/dbraw/zinc/97/64/93/535976493.db2.gz PXDNIBWVWWABJR-WMZOPIPTSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000261781909 636413106 /nfs/dbraw/zinc/41/31/06/636413106.db2.gz RYENJRUUUNZLPZ-BRWVUGGUSA-N 1 3 317.481 2.346 10 0 DEAEHO CN(C(=O)CC[NH2+]CC1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000717153326 799256533 /nfs/dbraw/zinc/25/65/33/799256533.db2.gz YEISCLFJVOUVOG-GOSISDBHSA-N 1 3 315.461 2.109 10 0 DEAEHO CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000710960342 1086692266 /nfs/dbraw/zinc/69/22/66/1086692266.db2.gz ZSOHSBBKLISRQT-BZSNNMDCSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000710973814 1086692546 /nfs/dbraw/zinc/69/25/46/1086692546.db2.gz RYNKAZYXCNROLY-AWEZNQCLSA-N 1 3 311.470 2.175 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)CN1Cc1ccccc1 ZINC000711344647 1087070593 /nfs/dbraw/zinc/07/05/93/1087070593.db2.gz JLASIKYYWMVSDW-PVAVHDDUSA-N 1 3 315.461 2.011 10 0 DEAEHO CCC[NH2+][C@](C)(CCCCN(C)CCC(F)(F)F)C(N)=O ZINC000088434915 185250138 /nfs/dbraw/zinc/25/01/38/185250138.db2.gz JIIHAYCQGZXEDK-CYBMUJFWSA-N 1 3 311.392 2.285 10 0 DEAEHO C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268373 365707224 /nfs/dbraw/zinc/70/72/24/365707224.db2.gz YFWLSARNKLHUIK-QAPCUYQASA-N 1 3 308.466 2.131 10 0 DEAEHO C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268373 365707233 /nfs/dbraw/zinc/70/72/33/365707233.db2.gz YFWLSARNKLHUIK-QAPCUYQASA-N 1 3 308.466 2.131 10 0 DEAEHO CC(C)(C)OC(=O)Nc1cccc([C@H](C[NH3+])N2CCC[C@@H]2N)c1 ZINC000090608616 185306504 /nfs/dbraw/zinc/30/65/04/185306504.db2.gz VMFRITOCUDVILX-LSDHHAIUSA-N 1 3 320.437 2.414 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000195128694 282369264 /nfs/dbraw/zinc/36/92/64/282369264.db2.gz SVVHUMOWWAKMEJ-BBWFWOEESA-N 1 3 324.513 2.138 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000195128694 282369267 /nfs/dbraw/zinc/36/92/67/282369267.db2.gz SVVHUMOWWAKMEJ-BBWFWOEESA-N 1 3 324.513 2.138 10 0 DEAEHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000073722476 191347745 /nfs/dbraw/zinc/34/77/45/191347745.db2.gz RYJCSUTUQLBDDT-CVEARBPZSA-N 1 3 312.502 2.088 10 0 DEAEHO NC(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000152717032 283353590 /nfs/dbraw/zinc/35/35/90/283353590.db2.gz QRAGLSXMNSREHY-HOCLYGCPSA-N 1 3 307.482 2.417 10 0 DEAEHO O=C([C@@H]1CC12CCN(C[C@H]1CCC[NH2+]C1)CC2)N1CCCCC1 ZINC000262000790 296001959 /nfs/dbraw/zinc/00/19/59/296001959.db2.gz UATHGBIRCRGKIG-IRXDYDNUSA-N 1 3 319.493 2.101 10 0 DEAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1c1cccs1 ZINC000607671308 361103790 /nfs/dbraw/zinc/10/37/90/361103790.db2.gz DDUZNMSMGSXPRH-IJEWVQPXSA-N 1 3 321.490 2.199 10 0 DEAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1cccs1 ZINC000607671308 361103793 /nfs/dbraw/zinc/10/37/93/361103793.db2.gz DDUZNMSMGSXPRH-IJEWVQPXSA-N 1 3 321.490 2.199 10 0 DEAEHO C[NH+](C)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2CN)C1 ZINC000094334350 193360346 /nfs/dbraw/zinc/36/03/46/193360346.db2.gz UQZKCGAAACDLNF-LLVKDONJSA-N 1 3 302.344 2.090 10 0 DEAEHO CC1(C)CSC[C@](C[NH3+])(N2CCN(C3CCCC3)CC2)C1 ZINC000094489494 193373173 /nfs/dbraw/zinc/37/31/73/193373173.db2.gz DXWVMAKBHYDFPJ-KRWDZBQOSA-N 1 3 311.539 2.407 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000158256568 197257678 /nfs/dbraw/zinc/25/76/78/197257678.db2.gz LORJXLHHTJMAPU-UHFFFAOYSA-N 1 3 312.502 2.090 10 0 DEAEHO O=C(C1CCN(C2CC2)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194603384 132539711 /nfs/dbraw/zinc/53/97/11/132539711.db2.gz ZGAXAQUYUBHGKH-UHFFFAOYSA-N 1 3 319.493 2.195 10 0 DEAEHO O=C(c1cccc(CN2CCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336315 145091506 /nfs/dbraw/zinc/09/15/06/145091506.db2.gz JMXSVWHROAUTFS-GOSISDBHSA-N 1 3 313.445 2.203 10 0 DEAEHO O=C(c1cccc(CN2CCCC2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195336315 145091507 /nfs/dbraw/zinc/09/15/07/145091507.db2.gz JMXSVWHROAUTFS-GOSISDBHSA-N 1 3 313.445 2.203 10 0 DEAEHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000309894779 145350483 /nfs/dbraw/zinc/35/04/83/145350483.db2.gz NPVAWLWUNCAOQL-ZWKOTPCHSA-N 1 3 315.461 2.014 10 0 DEAEHO CC[C@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847460 148053905 /nfs/dbraw/zinc/05/39/05/148053905.db2.gz SDLGRHXFWFHVNE-YJBOKZPZSA-N 1 3 303.450 2.013 10 0 DEAEHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000112448557 401745791 /nfs/dbraw/zinc/74/57/91/401745791.db2.gz LPUQHRFWOKAZKG-AWEZNQCLSA-N 1 3 324.513 2.279 10 0 DEAEHO CC[N@H+]1C[C@H]2CN(C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1 ZINC000000001034 401687450 /nfs/dbraw/zinc/68/74/50/401687450.db2.gz PMCPYLGCPSNSLS-MZBDJJRSSA-N 1 3 322.836 2.379 10 0 DEAEHO CC[N@@H+]1C[C@H]2CN(C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1 ZINC000000001034 401687451 /nfs/dbraw/zinc/68/74/51/401687451.db2.gz PMCPYLGCPSNSLS-MZBDJJRSSA-N 1 3 322.836 2.379 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085362895 401914211 /nfs/dbraw/zinc/91/42/11/401914211.db2.gz ATRZJDNPSJNUJR-LSDHHAIUSA-N 1 3 314.518 2.238 10 0 DEAEHO Cc1noc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)n1 ZINC000089518273 401950488 /nfs/dbraw/zinc/95/04/88/401950488.db2.gz YSVGWZJTLTXXAM-CYBMUJFWSA-N 1 3 318.421 2.212 10 0 DEAEHO Cc1cnn(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)c1 ZINC000124127940 402164711 /nfs/dbraw/zinc/16/47/11/402164711.db2.gz TZCUNQMMLIRPKO-MRXNPFEDSA-N 1 3 316.449 2.483 10 0 DEAEHO Cc1cnn(CCN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000124127940 402164714 /nfs/dbraw/zinc/16/47/14/402164714.db2.gz TZCUNQMMLIRPKO-MRXNPFEDSA-N 1 3 316.449 2.483 10 0 DEAEHO CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000154878445 402237107 /nfs/dbraw/zinc/23/71/07/402237107.db2.gz CRTALKUFTSYMPK-DOTOQJQBSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000154878445 402237110 /nfs/dbraw/zinc/23/71/10/402237110.db2.gz CRTALKUFTSYMPK-DOTOQJQBSA-N 1 3 305.466 2.353 10 0 DEAEHO CN(C)[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176486675 402313810 /nfs/dbraw/zinc/31/38/10/402313810.db2.gz SHSPIXIYWLBWFL-KRWDZBQOSA-N 1 3 322.497 2.129 10 0 DEAEHO O=C(NCC[C@H]1CCC[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC000237883548 402424722 /nfs/dbraw/zinc/42/47/22/402424722.db2.gz KWRITRQQVRVBBB-MRXNPFEDSA-N 1 3 315.461 2.402 10 0 DEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)CC(C)C ZINC000247371105 402565568 /nfs/dbraw/zinc/56/55/68/402565568.db2.gz FCPRKSMDZKAHLZ-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246427763 402530842 /nfs/dbraw/zinc/53/08/42/402530842.db2.gz MKVKCFXQPBVZSZ-BBWFWOEESA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246427763 402530846 /nfs/dbraw/zinc/53/08/46/402530846.db2.gz MKVKCFXQPBVZSZ-BBWFWOEESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H](C(=O)N1CCCN(C2CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000178747371 402533823 /nfs/dbraw/zinc/53/38/23/402533823.db2.gz FWBYSMQQGPQLAA-WMLDXEAASA-N 1 3 301.434 2.019 10 0 DEAEHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246512813 402534748 /nfs/dbraw/zinc/53/47/48/402534748.db2.gz QPFIHTHLOVIRLV-XJNFMUPTSA-N 1 3 303.450 2.264 10 0 DEAEHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246512813 402534749 /nfs/dbraw/zinc/53/47/49/402534749.db2.gz QPFIHTHLOVIRLV-XJNFMUPTSA-N 1 3 303.450 2.264 10 0 DEAEHO CO[C@@H](C)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000248406286 402589167 /nfs/dbraw/zinc/58/91/67/402589167.db2.gz BAHSGLPXPZUSRG-QFBILLFUSA-N 1 3 320.477 2.399 10 0 DEAEHO CO[C@@H](C)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000248406286 402589168 /nfs/dbraw/zinc/58/91/68/402589168.db2.gz BAHSGLPXPZUSRG-QFBILLFUSA-N 1 3 320.477 2.399 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171633527 402603964 /nfs/dbraw/zinc/60/39/64/402603964.db2.gz XLWYCXFNRSJAGQ-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000173395684 402696143 /nfs/dbraw/zinc/69/61/43/402696143.db2.gz KNCKRNWPPUGNEL-HOTGVXAUSA-N 1 3 324.513 2.375 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCCN1CC ZINC000174840922 402759602 /nfs/dbraw/zinc/75/96/02/402759602.db2.gz VZBFWJTWFZYXCJ-IXDOHACOSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCCN1CC ZINC000174840922 402759603 /nfs/dbraw/zinc/75/96/03/402759603.db2.gz VZBFWJTWFZYXCJ-IXDOHACOSA-N 1 3 322.497 2.129 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000193134302 402766520 /nfs/dbraw/zinc/76/65/20/402766520.db2.gz VFHFTKGCHAPJJB-INIZCTEOSA-N 1 3 312.502 2.135 10 0 DEAEHO CN1CCC(C[NH2+]C[C@@H]2CCC=CO2)(N2CCCCC2)CC1 ZINC000194485116 402799634 /nfs/dbraw/zinc/79/96/34/402799634.db2.gz LAYYCTZKCMIYTK-KRWDZBQOSA-N 1 3 307.482 2.219 10 0 DEAEHO c1c(CNCCCCC[NH+]2CCCCC2)nc2ncccn12 ZINC000298260701 403344018 /nfs/dbraw/zinc/34/40/18/403344018.db2.gz FOLRPFXBRBJJHI-UHFFFAOYSA-N 1 3 301.438 2.475 10 0 DEAEHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361220380 404979919 /nfs/dbraw/zinc/97/99/19/404979919.db2.gz LOOSWHZJXRSKIY-KRWDZBQOSA-N 1 3 307.482 2.384 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000390004745 405043714 /nfs/dbraw/zinc/04/37/14/405043714.db2.gz VVHFUMDZXPYKIS-BPQIPLTHSA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@H](C[NH3+])C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852008 405715672 /nfs/dbraw/zinc/71/56/72/405715672.db2.gz SPYIDBHGXNHMKB-WBVHZDCISA-N 1 3 303.450 2.142 10 0 DEAEHO C[NH+](C)CC(C)(C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000457213953 405756751 /nfs/dbraw/zinc/75/67/51/405756751.db2.gz WBHKHVROMHUGRR-UHFFFAOYSA-N 1 3 303.450 2.352 10 0 DEAEHO O=C(CCC1C[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000638080308 406558410 /nfs/dbraw/zinc/55/84/10/406558410.db2.gz NQCXGNMKJFQBSZ-GOSISDBHSA-N 1 3 315.461 2.157 10 0 DEAEHO [NH3+]C1CCC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000390755808 424917678 /nfs/dbraw/zinc/91/76/78/424917678.db2.gz VURQECGXVFLZLZ-DAWZGUTISA-N 1 3 315.461 2.285 10 0 DEAEHO CC(C)S(=O)(=O)CCCN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312918 425621539 /nfs/dbraw/zinc/62/15/39/425621539.db2.gz HPSYKQLMBTUUGN-HUUCEWRRSA-N 1 3 304.500 2.039 10 0 DEAEHO CO[C@H](C)[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495803 269106464 /nfs/dbraw/zinc/10/64/64/269106464.db2.gz PZAWFJSIIIYQCG-HZPDHXFCSA-N 1 3 306.450 2.027 10 0 DEAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000397688510 269106683 /nfs/dbraw/zinc/10/66/83/269106683.db2.gz OYHNDDMIPQSXKX-WMZOPIPTSA-N 1 3 318.461 2.028 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)C2 ZINC000164534004 278040933 /nfs/dbraw/zinc/04/09/33/278040933.db2.gz BSKJYOFOTSVNAH-RRCSTGOVSA-N 1 3 304.434 2.317 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C2 ZINC000164534004 278040934 /nfs/dbraw/zinc/04/09/34/278040934.db2.gz BSKJYOFOTSVNAH-RRCSTGOVSA-N 1 3 304.434 2.317 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246563123 279125485 /nfs/dbraw/zinc/12/54/85/279125485.db2.gz BKWAJRGGNLISKM-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246563123 279125487 /nfs/dbraw/zinc/12/54/87/279125487.db2.gz BKWAJRGGNLISKM-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398014379 337303861 /nfs/dbraw/zinc/30/38/61/337303861.db2.gz FMYOHQURMCMFFS-KBAYOESNSA-N 1 3 315.461 2.155 10 0 DEAEHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237071561 521923413 /nfs/dbraw/zinc/92/34/13/521923413.db2.gz KCLWWBRVBNKHEL-SQNIBIBYSA-N 1 3 315.461 2.285 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(C)CC1 ZINC000246269288 524442852 /nfs/dbraw/zinc/44/28/52/524442852.db2.gz LQMFWKKWONLZJM-VQHPVUNQSA-N 1 3 307.482 2.144 10 0 DEAEHO CC1=CCN(CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000447990179 528117532 /nfs/dbraw/zinc/11/75/32/528117532.db2.gz RAMZBQOJUJKFLD-MRXNPFEDSA-N 1 3 322.497 2.058 10 0 DEAEHO CC1=CCN(CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447990179 528117534 /nfs/dbraw/zinc/11/75/34/528117534.db2.gz RAMZBQOJUJKFLD-MRXNPFEDSA-N 1 3 322.497 2.058 10 0 DEAEHO Cn1cc(CNC(C)(C)CCC[NH+](C)C)c(Br)n1 ZINC000712479119 792190509 /nfs/dbraw/zinc/19/05/09/792190509.db2.gz GIGOYPVCTFZLMN-UHFFFAOYSA-N 1 3 317.275 2.393 10 0 DEAEHO Cn1cc(CNC2CCC([NH+](C)C)CC2)c(Br)n1 ZINC000715545826 792476976 /nfs/dbraw/zinc/47/69/76/792476976.db2.gz YONXKRNNIDEQNG-UHFFFAOYSA-N 1 3 315.259 2.145 10 0 DEAEHO CNC(=O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716678574 792984380 /nfs/dbraw/zinc/98/43/80/792984380.db2.gz KZRDOCAYADVDES-BZSNNMDCSA-N 1 3 315.461 2.155 10 0 DEAEHO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(Br)ccc1CN ZINC000092633061 185330384 /nfs/dbraw/zinc/33/03/84/185330384.db2.gz HVFKOFYUSRVFOS-ZDUSSCGKSA-N 1 3 312.255 2.438 10 0 DEAEHO CN(C[C@@H]1CCC[N@H+]1C)c1cc(Br)ccc1CN ZINC000092633061 185330385 /nfs/dbraw/zinc/33/03/85/185330385.db2.gz HVFKOFYUSRVFOS-ZDUSSCGKSA-N 1 3 312.255 2.438 10 0 DEAEHO CN(C)Cc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000076129126 539361090 /nfs/dbraw/zinc/36/10/90/539361090.db2.gz GAXUDYKQCWMEID-UHFFFAOYSA-N 1 3 304.438 2.306 10 0 DEAEHO Cc1ccc([C@@H](C[NH3+])N(C)CCN(C)C)c(Br)c1 ZINC000164076509 186148169 /nfs/dbraw/zinc/14/81/69/186148169.db2.gz UBGFEYQJYDDCHW-CQSZACIVSA-N 1 3 314.271 2.251 10 0 DEAEHO C[N@H+](CCCNC(=O)N1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900912 198003993 /nfs/dbraw/zinc/00/39/93/198003993.db2.gz BNZLDFOBCPWHEG-QGZVFWFLSA-N 1 3 322.497 2.131 10 0 DEAEHO C[N@@H+](CCCNC(=O)N1CCN2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900912 198003995 /nfs/dbraw/zinc/00/39/95/198003995.db2.gz BNZLDFOBCPWHEG-QGZVFWFLSA-N 1 3 322.497 2.131 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309693231 539877986 /nfs/dbraw/zinc/87/79/86/539877986.db2.gz CITYAIDGDOODMW-IRXDYDNUSA-N 1 3 303.450 2.093 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309746144 539878322 /nfs/dbraw/zinc/87/83/22/539878322.db2.gz XTHZQSDQARVAON-RCCFBDPRSA-N 1 3 315.461 2.094 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236770391 202001384 /nfs/dbraw/zinc/00/13/84/202001384.db2.gz RWJIOZAMYPVXNB-KRWDZBQOSA-N 1 3 303.450 2.315 10 0 DEAEHO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000381880002 356673220 /nfs/dbraw/zinc/67/32/20/356673220.db2.gz OLEMZFRPVIREMT-HUUCEWRRSA-N 1 3 313.486 2.421 10 0 DEAEHO CCN[C@H]1[C@H](C[N@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430084 193368508 /nfs/dbraw/zinc/36/85/08/193368508.db2.gz HKAUMPAKDNSOKI-KBPBESRZSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@H]1[C@H](C[N@@H+](CC)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430084 193368510 /nfs/dbraw/zinc/36/85/10/193368510.db2.gz HKAUMPAKDNSOKI-KBPBESRZSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@@H]1[C@@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429311 193369056 /nfs/dbraw/zinc/36/90/56/193369056.db2.gz GZKJEUZPRHVULS-HUUCEWRRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@@H]1[C@@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429311 193369058 /nfs/dbraw/zinc/36/90/58/193369058.db2.gz GZKJEUZPRHVULS-HUUCEWRRSA-N 1 3 300.487 2.261 10 0 DEAEHO CC[NH2+][C@@H]1[C@@H](CN(CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429311 193369059 /nfs/dbraw/zinc/36/90/59/193369059.db2.gz GZKJEUZPRHVULS-HUUCEWRRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333877 245075324 /nfs/dbraw/zinc/07/53/24/245075324.db2.gz WPDHMXLTVURXCH-JQHSSLGASA-N 1 3 315.461 2.107 10 0 DEAEHO CCN1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333877 245075337 /nfs/dbraw/zinc/07/53/37/245075337.db2.gz WPDHMXLTVURXCH-JQHSSLGASA-N 1 3 315.461 2.107 10 0 DEAEHO C[C@@H](C(N)=S)[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000109471379 194267117 /nfs/dbraw/zinc/26/71/17/194267117.db2.gz KEDNIHGRBDHUJR-LBPRGKRZSA-N 1 3 300.431 2.031 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000111132557 194394257 /nfs/dbraw/zinc/39/42/57/194394257.db2.gz ILYCZORSBOSEKO-CYBMUJFWSA-N 1 3 318.234 2.081 10 0 DEAEHO CN([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)[C@@H]1CCCN(C)C1 ZINC000062711693 184248935 /nfs/dbraw/zinc/24/89/35/184248935.db2.gz OAQDATWPFPMELT-RISCZKNCSA-N 1 3 301.356 2.130 10 0 DEAEHO c1cc2c(cc1CN1CCS[C@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564803594 292111747 /nfs/dbraw/zinc/11/17/47/292111747.db2.gz KGJPRVOUIBQCSX-IRXDYDNUSA-N 1 3 304.459 2.039 10 0 DEAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261868887 145235193 /nfs/dbraw/zinc/23/51/93/145235193.db2.gz XQQUKJDWEHMDID-FGTMMUONSA-N 1 3 315.461 2.142 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309902554 145350246 /nfs/dbraw/zinc/35/02/46/145350246.db2.gz PHERICSAWQQECX-RYQLBKOJSA-N 1 3 317.477 2.388 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309902554 145350247 /nfs/dbraw/zinc/35/02/47/145350247.db2.gz PHERICSAWQQECX-RYQLBKOJSA-N 1 3 317.477 2.388 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000115815245 401837749 /nfs/dbraw/zinc/83/77/49/401837749.db2.gz SBVJIOZQEGJRHI-QGZVFWFLSA-N 1 3 324.513 2.092 10 0 DEAEHO O[C@@H](CN1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000121800942 402053034 /nfs/dbraw/zinc/05/30/34/402053034.db2.gz QNDRKFISAVEJPP-AWEZNQCLSA-N 1 3 308.388 2.498 10 0 DEAEHO CN(c1ccccc1CN[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000177578948 402417481 /nfs/dbraw/zinc/41/74/81/402417481.db2.gz BHFMLVCLSSYHHL-QGZVFWFLSA-N 1 3 317.477 2.486 10 0 DEAEHO N[C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237872524 402423736 /nfs/dbraw/zinc/42/37/36/402423736.db2.gz KBTWGXGRHFWBIN-SFHVURJKSA-N 1 3 315.461 2.411 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000245480578 402464561 /nfs/dbraw/zinc/46/45/61/402464561.db2.gz XLEDEDHAVDVVMZ-IRXDYDNUSA-N 1 3 324.513 2.234 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000246199132 402518027 /nfs/dbraw/zinc/51/80/27/402518027.db2.gz MWZOKDYKCCHBGS-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000246199132 402518030 /nfs/dbraw/zinc/51/80/30/402518030.db2.gz MWZOKDYKCCHBGS-ZACQAIPSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246579766 402537280 /nfs/dbraw/zinc/53/72/80/402537280.db2.gz ZSKYIBXCPBFJDN-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640120 402714964 /nfs/dbraw/zinc/71/49/64/402714964.db2.gz DUOOHXWMGTZETL-XKQJLSEDSA-N 1 3 309.417 2.180 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175865366 402839167 /nfs/dbraw/zinc/83/91/67/402839167.db2.gz SGIZSLSUVNUDBC-OAGGEKHMSA-N 1 3 312.502 2.135 10 0 DEAEHO CCC[N@H+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000175209742 402788266 /nfs/dbraw/zinc/78/82/66/402788266.db2.gz KFXIZUXIOZLDJX-KRWDZBQOSA-N 1 3 320.481 2.320 10 0 DEAEHO CCC[N@@H+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000175209742 402788267 /nfs/dbraw/zinc/78/82/67/402788267.db2.gz KFXIZUXIOZLDJX-KRWDZBQOSA-N 1 3 320.481 2.320 10 0 DEAEHO CN(CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425663 424932724 /nfs/dbraw/zinc/93/27/24/424932724.db2.gz KDEWXNXHZAZUDN-ROUUACIJSA-N 1 3 315.461 2.155 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1csc(Br)c1 ZINC000397280300 269105537 /nfs/dbraw/zinc/10/55/37/269105537.db2.gz ACQSMVCJIUECSG-JTQLQIEISA-N 1 3 307.257 2.354 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163049221 279080235 /nfs/dbraw/zinc/08/02/35/279080235.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163049221 279080237 /nfs/dbraw/zinc/08/02/37/279080237.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCCN(CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163049221 279080240 /nfs/dbraw/zinc/08/02/40/279080240.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@H]2CCCN(CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163049221 279080242 /nfs/dbraw/zinc/08/02/42/279080242.db2.gz YWKJFKVVJPPIER-IRXDYDNUSA-N 1 3 305.470 2.091 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136979070 279125496 /nfs/dbraw/zinc/12/54/96/279125496.db2.gz BKWAJRGGNLISKM-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136979070 279125498 /nfs/dbraw/zinc/12/54/98/279125498.db2.gz BKWAJRGGNLISKM-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245678803 279309274 /nfs/dbraw/zinc/30/92/74/279309274.db2.gz GESXQMZGPVEJSR-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO C(Cc1nnc2n1CCC2)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000575232824 326230830 /nfs/dbraw/zinc/23/08/30/326230830.db2.gz VSFYKOOCRFWXPY-UHFFFAOYSA-N 1 3 317.481 2.154 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398014381 337303990 /nfs/dbraw/zinc/30/39/90/337303990.db2.gz FMYOHQURMCMFFS-NJAFHUGGSA-N 1 3 315.461 2.155 10 0 DEAEHO C(c1nnc([C@@H]2CCCN(C3CC[NH2+]CC3)C2)[nH]1)C1CCC1 ZINC000584615378 337372750 /nfs/dbraw/zinc/37/27/50/337372750.db2.gz PKSWWKCPKHWTHL-CQSZACIVSA-N 1 3 303.454 2.079 10 0 DEAEHO C(c1nc([C@@H]2CCCN(C3CC[NH2+]CC3)C2)n[nH]1)C1CCC1 ZINC000584615378 337372751 /nfs/dbraw/zinc/37/27/51/337372751.db2.gz PKSWWKCPKHWTHL-CQSZACIVSA-N 1 3 303.454 2.079 10 0 DEAEHO C(c1n[nH]c([C@@H]2CCCN(C3CC[NH2+]CC3)C2)n1)C1CCC1 ZINC000584615378 337372752 /nfs/dbraw/zinc/37/27/52/337372752.db2.gz PKSWWKCPKHWTHL-CQSZACIVSA-N 1 3 303.454 2.079 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CC2CCN(C)CC2)C1 ZINC000362905296 535081778 /nfs/dbraw/zinc/08/17/78/535081778.db2.gz RKFQJMVJFRSKSY-QGZVFWFLSA-N 1 3 309.498 2.203 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CC2CCN(C)CC2)C1 ZINC000362905296 535081780 /nfs/dbraw/zinc/08/17/80/535081780.db2.gz RKFQJMVJFRSKSY-QGZVFWFLSA-N 1 3 309.498 2.203 10 0 DEAEHO CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237153664 637291425 /nfs/dbraw/zinc/29/14/25/637291425.db2.gz UWQUUCRAKBBCME-SJORKVTESA-N 1 3 303.450 2.094 10 0 DEAEHO [NH3+][C@@H](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379667365 685393020 /nfs/dbraw/zinc/39/30/20/685393020.db2.gz ZJIPUNVGYQBXCB-ROUUACIJSA-N 1 3 315.461 2.285 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381828617 685402338 /nfs/dbraw/zinc/40/23/38/685402338.db2.gz IAUHGNLFVNYKAL-NZSAHSFTSA-N 1 3 320.477 2.273 10 0 DEAEHO Cc1nocc1CN1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886029119 691987375 /nfs/dbraw/zinc/98/73/75/691987375.db2.gz QVJINKIKGRYHMO-KRWDZBQOSA-N 1 3 316.405 2.093 10 0 DEAEHO Brc1cnc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000714952800 792374947 /nfs/dbraw/zinc/37/49/47/792374947.db2.gz VQCXJDNJDIVAQF-LPEHRKFASA-N 1 3 316.268 2.383 10 0 DEAEHO Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)nc(N)n1 ZINC000702260560 1086416346 /nfs/dbraw/zinc/41/63/46/1086416346.db2.gz OLSIURMLDMDYAT-QFBILLFUSA-N 1 3 323.444 2.326 10 0 DEAEHO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)nc(N)n1 ZINC000702260560 1086416352 /nfs/dbraw/zinc/41/63/52/1086416352.db2.gz OLSIURMLDMDYAT-QFBILLFUSA-N 1 3 323.444 2.326 10 0 DEAEHO COC(C[N@@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420143 /nfs/dbraw/zinc/42/01/43/1086420143.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 1 3 304.434 2.059 10 0 DEAEHO COC(C[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1)OC ZINC000702313972 1086420149 /nfs/dbraw/zinc/42/01/49/1086420149.db2.gz ALNCREJKIUGEGW-FUHWJXTLSA-N 1 3 304.434 2.059 10 0 DEAEHO CC(C)[NH2+][C@](C)(CCCCN(C)CCC(F)(F)F)C(N)=O ZINC000088434985 185250202 /nfs/dbraw/zinc/25/02/02/185250202.db2.gz PAZUSFKKGIZVKI-CYBMUJFWSA-N 1 3 311.392 2.283 10 0 DEAEHO CN[C@H]1COC[C@H]1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000090438772 185296669 /nfs/dbraw/zinc/29/66/69/185296669.db2.gz DIENTRPRFSQUPT-OCCSQVGLSA-N 1 3 313.239 2.115 10 0 DEAEHO CN[C@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000090438772 185296670 /nfs/dbraw/zinc/29/66/70/185296670.db2.gz DIENTRPRFSQUPT-OCCSQVGLSA-N 1 3 313.239 2.115 10 0 DEAEHO CC[NH+](CC)CCCN1Cc2c(cccc2N(C)C)[C@H]1CN ZINC000071683388 191006898 /nfs/dbraw/zinc/00/68/98/191006898.db2.gz CHZIBGZYHCPZAO-GOSISDBHSA-N 1 3 304.482 2.300 10 0 DEAEHO CN1CC[C@@H](C[N@H+](C)Cc2cc(N)cc(Br)c2)C1 ZINC000148059223 186042352 /nfs/dbraw/zinc/04/23/52/186042352.db2.gz WVFHDNSFDJIWIW-LLVKDONJSA-N 1 3 312.255 2.415 10 0 DEAEHO CN1CC[C@@H](C[N@@H+](C)Cc2cc(N)cc(Br)c2)C1 ZINC000148059223 186042354 /nfs/dbraw/zinc/04/23/54/186042354.db2.gz WVFHDNSFDJIWIW-LLVKDONJSA-N 1 3 312.255 2.415 10 0 DEAEHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263283822 356344440 /nfs/dbraw/zinc/34/44/40/356344440.db2.gz SZHZDJJEMNNOQC-MULDDASSSA-N 1 3 321.509 2.390 10 0 DEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629545119 367243455 /nfs/dbraw/zinc/24/34/55/367243455.db2.gz BNFOGDNERFRVNG-OYSPMZIOSA-N 1 3 314.429 2.399 10 0 DEAEHO CCCN[C@@]1(C(N)=O)CCC[C@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756562 193301299 /nfs/dbraw/zinc/30/12/99/193301299.db2.gz ZCPFTDRQKJWWGV-AAEUAGOBSA-N 1 3 309.376 2.037 10 0 DEAEHO CCCN[C@@]1(C(N)=O)CCC[C@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756562 193301300 /nfs/dbraw/zinc/30/13/00/193301300.db2.gz ZCPFTDRQKJWWGV-AAEUAGOBSA-N 1 3 309.376 2.037 10 0 DEAEHO CN(C)CCN(Cc1ccsc1)C(=O)CC1CC[NH+](C)CC1 ZINC000458220855 248213580 /nfs/dbraw/zinc/21/35/80/248213580.db2.gz JPWNHALFPYYMGW-UHFFFAOYSA-N 1 3 323.506 2.370 10 0 DEAEHO C[N@H+](Cc1ccc(Br)cc1)[C@@H](CN)[C@@H]1CCOC1 ZINC000042439858 183270101 /nfs/dbraw/zinc/27/01/01/183270101.db2.gz BPCLSKSWEGCODE-OCCSQVGLSA-N 1 3 313.239 2.245 10 0 DEAEHO C[N@@H+](Cc1ccc(Br)cc1)[C@@H](CN)[C@@H]1CCOC1 ZINC000042439858 183270103 /nfs/dbraw/zinc/27/01/03/183270103.db2.gz BPCLSKSWEGCODE-OCCSQVGLSA-N 1 3 313.239 2.245 10 0 DEAEHO CN(CCC[NH+](C)C)c1nc2sccn2c1CNC1CC1 ZINC000111140790 194393914 /nfs/dbraw/zinc/39/39/14/194393914.db2.gz QSNLNFLSSJNUJE-UHFFFAOYSA-N 1 3 307.467 2.036 10 0 DEAEHO CC[NH+](CC)[C@@H]1CCN(c2nc3sccn3c2CNC)C1 ZINC000062967246 184263542 /nfs/dbraw/zinc/26/35/42/184263542.db2.gz KCAUCDIZACQFMQ-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CN(CC[NH+]1CCCC1)c1cc(Br)ccc1CN ZINC000063052523 184268842 /nfs/dbraw/zinc/26/88/42/184268842.db2.gz QELUDGOGKMGZDY-UHFFFAOYSA-N 1 3 312.255 2.440 10 0 DEAEHO CCC[C@H](NC)c1c(Br)cnn1CC[NH+](C)C ZINC000158761744 197299511 /nfs/dbraw/zinc/29/95/11/197299511.db2.gz DWTWYBRCJBFPKW-NSHDSACASA-N 1 3 303.248 2.268 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246393555 145101221 /nfs/dbraw/zinc/10/12/21/145101221.db2.gz RCSRJDHIHABVIL-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000247500394 145139138 /nfs/dbraw/zinc/13/91/38/145139138.db2.gz UZKXBPCZLNZZRI-HOTGVXAUSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000247500394 145139139 /nfs/dbraw/zinc/13/91/39/145139139.db2.gz UZKXBPCZLNZZRI-HOTGVXAUSA-N 1 3 322.497 2.129 10 0 DEAEHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224390 /nfs/dbraw/zinc/22/43/90/148224390.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 1 3 311.433 2.183 10 0 DEAEHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224394 /nfs/dbraw/zinc/22/43/94/148224394.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 1 3 311.433 2.183 10 0 DEAEHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224395 /nfs/dbraw/zinc/22/43/95/148224395.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 1 3 311.433 2.183 10 0 DEAEHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269722 148224396 /nfs/dbraw/zinc/22/43/96/148224396.db2.gz OYGNYWWCUAYLHI-SJLPKXTDSA-N 1 3 311.433 2.183 10 0 DEAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000111881137 401727193 /nfs/dbraw/zinc/72/71/93/401727193.db2.gz XNBIQCSNTROXQL-HOTGVXAUSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000111881137 401727194 /nfs/dbraw/zinc/72/71/94/401727194.db2.gz XNBIQCSNTROXQL-HOTGVXAUSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128324048 401771642 /nfs/dbraw/zinc/77/16/42/401771642.db2.gz IMGFBEGYCBZNKL-BBWFWOEESA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@H](C)C2)[C@H](C)C1 ZINC000128324048 401771646 /nfs/dbraw/zinc/77/16/46/401771646.db2.gz IMGFBEGYCBZNKL-BBWFWOEESA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000163573915 402453040 /nfs/dbraw/zinc/45/30/40/402453040.db2.gz AMOIGRSVHAMYAK-QAPCUYQASA-N 1 3 315.461 2.409 10 0 DEAEHO CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164736168 402467719 /nfs/dbraw/zinc/46/77/19/402467719.db2.gz NMNRXHNAWNPHOD-RHSMWYFYSA-N 1 3 303.450 2.272 10 0 DEAEHO Cc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)n1 ZINC000187363618 402496241 /nfs/dbraw/zinc/49/62/41/402496241.db2.gz MGTBTHBEOVIWCL-UHFFFAOYSA-N 1 3 304.482 2.156 10 0 DEAEHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457392 402629972 /nfs/dbraw/zinc/62/99/72/402629972.db2.gz YFOBZLHGKDMQHP-OALUTQOASA-N 1 3 323.525 2.030 10 0 DEAEHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000249457392 402629975 /nfs/dbraw/zinc/62/99/75/402629975.db2.gz YFOBZLHGKDMQHP-OALUTQOASA-N 1 3 323.525 2.030 10 0 DEAEHO CC[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)N(CC)CC ZINC000261658106 402715437 /nfs/dbraw/zinc/71/54/37/402715437.db2.gz FBFKTURILZYOFB-KRWDZBQOSA-N 1 3 305.466 2.137 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000194148315 402785724 /nfs/dbraw/zinc/78/57/24/402785724.db2.gz DXJABOYYWHRAAD-IRXDYDNUSA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000194148315 402785726 /nfs/dbraw/zinc/78/57/26/402785726.db2.gz DXJABOYYWHRAAD-IRXDYDNUSA-N 1 3 324.513 2.425 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379681897 405029965 /nfs/dbraw/zinc/02/99/65/405029965.db2.gz UOJHLTGIKRIYLI-SZVBFZGTSA-N 1 3 315.461 2.298 10 0 DEAEHO COC[C@](C)(O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468026 405624598 /nfs/dbraw/zinc/62/45/98/405624598.db2.gz KUWHEGFBGXZEIT-FCGDIQPGSA-N 1 3 318.461 2.169 10 0 DEAEHO COC[C@](C)(O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468026 405624601 /nfs/dbraw/zinc/62/46/01/405624601.db2.gz KUWHEGFBGXZEIT-FCGDIQPGSA-N 1 3 318.461 2.169 10 0 DEAEHO CN(C)CCN(CC[NH+](C)C)C(=O)CC/C=C\c1ccccc1 ZINC000530641392 405837641 /nfs/dbraw/zinc/83/76/41/405837641.db2.gz HOTNSFVPFSYHFV-WQLSENKSSA-N 1 3 317.477 2.432 10 0 DEAEHO c1nc2n(n1)[C@@H](CN1CCC(C[NH+]3CCCCCC3)CC1)CC2 ZINC000639451511 406094132 /nfs/dbraw/zinc/09/41/32/406094132.db2.gz QECPAJXAOPPDRT-QGZVFWFLSA-N 1 3 317.481 2.353 10 0 DEAEHO O=C(CCC1C[NH2+]C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000638080006 406558497 /nfs/dbraw/zinc/55/84/97/406558497.db2.gz KMZRTSNMFRBLTH-GOSISDBHSA-N 1 3 315.461 2.014 10 0 DEAEHO COCCNCCC[NH2+]Cc1cc(C)cc(Br)c1 ZINC000130912363 196121348 /nfs/dbraw/zinc/12/13/48/196121348.db2.gz OAIBDTOVBAHGHF-UHFFFAOYSA-N 1 3 315.255 2.473 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193727836 424871573 /nfs/dbraw/zinc/87/15/73/424871573.db2.gz OULCKJQVQIRJKZ-QGZVFWFLSA-N 1 3 324.513 2.136 10 0 DEAEHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCN1C)[NH+]1CCC(C)CC1 ZINC000195127650 424880138 /nfs/dbraw/zinc/88/01/38/424880138.db2.gz NRJCZQXYRKQZQP-DLBZAZTESA-N 1 3 324.513 2.136 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000380900401 424908885 /nfs/dbraw/zinc/90/88/85/424908885.db2.gz OUAFDCNBVRGUSC-QGZVFWFLSA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390775605 424917750 /nfs/dbraw/zinc/91/77/50/424917750.db2.gz MRIDKQYILKLNCK-RDJZCZTQSA-N 1 3 303.450 2.013 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309897398 424893829 /nfs/dbraw/zinc/89/38/29/424893829.db2.gz GZKOHAXMVCDWDJ-GOSISDBHSA-N 1 3 317.477 2.483 10 0 DEAEHO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2NCCCC2(C)C)c1 ZINC000261605184 276792528 /nfs/dbraw/zinc/79/25/28/276792528.db2.gz AFUCQWDUSCVPFD-INIZCTEOSA-N 1 3 319.449 2.344 10 0 DEAEHO CN1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000186480984 277169024 /nfs/dbraw/zinc/16/90/24/277169024.db2.gz BIGVVKWXBXGFOX-ROUUACIJSA-N 1 3 309.413 2.321 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C2 ZINC000246856390 278040927 /nfs/dbraw/zinc/04/09/27/278040927.db2.gz BSKJYOFOTSVNAH-SJXGUFTOSA-N 1 3 304.434 2.317 10 0 DEAEHO COc1cccc2c1OC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)C2 ZINC000246856390 278040928 /nfs/dbraw/zinc/04/09/28/278040928.db2.gz BSKJYOFOTSVNAH-SJXGUFTOSA-N 1 3 304.434 2.317 10 0 DEAEHO CC(C)CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(C)CC1 ZINC000362762775 278804451 /nfs/dbraw/zinc/80/44/51/278804451.db2.gz MHIVCVHJGQGHQQ-UHFFFAOYSA-N 1 3 309.498 2.297 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079495475 279123061 /nfs/dbraw/zinc/12/30/61/279123061.db2.gz NWLYGWCHPZYLPX-MRXNPFEDSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCCCC1 ZINC000173905664 279328855 /nfs/dbraw/zinc/32/88/55/279328855.db2.gz QFKJAFPKKRZTSO-KRWDZBQOSA-N 1 3 324.513 2.377 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCCCC1 ZINC000173905664 279328856 /nfs/dbraw/zinc/32/88/56/279328856.db2.gz QFKJAFPKKRZTSO-KRWDZBQOSA-N 1 3 324.513 2.377 10 0 DEAEHO COC[C@H](C)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000188074109 333024257 /nfs/dbraw/zinc/02/42/57/333024257.db2.gz VHUWRKCDHHYRDV-OAHLLOKOSA-N 1 3 306.450 2.015 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281082 528221558 /nfs/dbraw/zinc/22/15/58/528221558.db2.gz KWUVHZUJOBUMAC-BPQIPLTHSA-N 1 3 319.493 2.336 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448281082 528221564 /nfs/dbraw/zinc/22/15/64/528221564.db2.gz KWUVHZUJOBUMAC-BPQIPLTHSA-N 1 3 319.493 2.336 10 0 DEAEHO CC1(C)CN(C(=O)c2cccc(CN3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000261949311 535349634 /nfs/dbraw/zinc/34/96/34/535349634.db2.gz JZTLWDXTFFDCTP-KRWDZBQOSA-N 1 3 315.461 2.482 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000168773233 646597670 /nfs/dbraw/zinc/59/76/70/646597670.db2.gz HTJFYUMOCGEYRD-XJKSGUPXSA-N 1 3 307.438 2.329 10 0 DEAEHO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N)n1 ZINC000379700231 685392951 /nfs/dbraw/zinc/39/29/51/685392951.db2.gz RPMZUMKUEYJVJI-ZBFHGGJFSA-N 1 3 311.433 2.084 10 0 DEAEHO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(N)n1 ZINC000379700231 685392954 /nfs/dbraw/zinc/39/29/54/685392954.db2.gz RPMZUMKUEYJVJI-ZBFHGGJFSA-N 1 3 311.433 2.084 10 0 DEAEHO COC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620179 792978723 /nfs/dbraw/zinc/97/87/23/792978723.db2.gz LNHVSFNVXGAUHL-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CC(C)(C)OC(=O)Nc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2N)c1 ZINC000090608615 185306368 /nfs/dbraw/zinc/30/63/68/185306368.db2.gz VMFRITOCUDVILX-HUUCEWRRSA-N 1 3 320.437 2.414 10 0 DEAEHO C[NH2+][C@@H](C[C@H]1CN(C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149573026 186050756 /nfs/dbraw/zinc/05/07/56/186050756.db2.gz VEPAZTZUGDKJFR-ZFWWWQNUSA-N 1 3 311.857 2.245 10 0 DEAEHO CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@@H]1CN(C)CCN1C ZINC000149684311 186051981 /nfs/dbraw/zinc/05/19/81/186051981.db2.gz ASTUJZHLYYNLOS-JKSUJKDBSA-N 1 3 309.885 2.497 10 0 DEAEHO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303089416 539860966 /nfs/dbraw/zinc/86/09/66/539860966.db2.gz OSCUAAMTCAPRLS-QZTJIDSGSA-N 1 3 315.461 2.157 10 0 DEAEHO CCC(CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000073431484 191316836 /nfs/dbraw/zinc/31/68/36/191316836.db2.gz KETBENFOUSJIKA-INIZCTEOSA-N 1 3 312.502 2.233 10 0 DEAEHO CCC(CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000073431484 191316838 /nfs/dbraw/zinc/31/68/38/191316838.db2.gz KETBENFOUSJIKA-INIZCTEOSA-N 1 3 312.502 2.233 10 0 DEAEHO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000381880003 356673115 /nfs/dbraw/zinc/67/31/15/356673115.db2.gz OLEMZFRPVIREMT-LSDHHAIUSA-N 1 3 313.486 2.421 10 0 DEAEHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1c1cccs1 ZINC000607671309 361103658 /nfs/dbraw/zinc/10/36/58/361103658.db2.gz DDUZNMSMGSXPRH-OFQRWUPVSA-N 1 3 321.490 2.199 10 0 DEAEHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1cccs1 ZINC000607671309 361103660 /nfs/dbraw/zinc/10/36/60/361103660.db2.gz DDUZNMSMGSXPRH-OFQRWUPVSA-N 1 3 321.490 2.199 10 0 DEAEHO C[C@H](C[C@@H]1CCCCN1)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000093486033 193258273 /nfs/dbraw/zinc/25/82/73/193258273.db2.gz AKHWIWNFDIADDE-RDBSUJKOSA-N 1 3 307.404 2.381 10 0 DEAEHO C[C@H](C[C@@H]1CCCC[NH2+]1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000093486033 193258274 /nfs/dbraw/zinc/25/82/74/193258274.db2.gz AKHWIWNFDIADDE-RDBSUJKOSA-N 1 3 307.404 2.381 10 0 DEAEHO CCCN[C@]1(CO)CC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857097 193319986 /nfs/dbraw/zinc/31/99/86/193319986.db2.gz ZYICVWIUZJKNEX-IAGOWNOFSA-N 1 3 300.487 2.407 10 0 DEAEHO CCCN[C@]1(CO)CC[C@@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857097 193319987 /nfs/dbraw/zinc/31/99/87/193319987.db2.gz ZYICVWIUZJKNEX-IAGOWNOFSA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+][C@]1(CO)CC[C@@H](N(CCOC)C(CC)CC)C1 ZINC000093857097 193319989 /nfs/dbraw/zinc/31/99/89/193319989.db2.gz ZYICVWIUZJKNEX-IAGOWNOFSA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+]CC1CCN([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644246 193389530 /nfs/dbraw/zinc/38/95/30/193389530.db2.gz SMARNZWVVMWLNM-HOTGVXAUSA-N 1 3 316.511 2.054 10 0 DEAEHO CN[C@H](c1c(Br)cnn1CC[NH+](C)C)C1CCC1 ZINC000159979940 197377478 /nfs/dbraw/zinc/37/74/78/197377478.db2.gz UNOWPCJDGFKFER-LBPRGKRZSA-N 1 3 315.259 2.268 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000111133010 194394108 /nfs/dbraw/zinc/39/41/08/194394108.db2.gz AXGVHQIFNOIGGT-CYBMUJFWSA-N 1 3 318.234 2.081 10 0 DEAEHO CN(C)CCN(C)c1nc2sccn2c1C[NH2+]C(C)(C)C ZINC000111140548 194394268 /nfs/dbraw/zinc/39/42/68/194394268.db2.gz VQRXJWNPQSONIT-UHFFFAOYSA-N 1 3 309.483 2.282 10 0 DEAEHO CN(C)CCN(C)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000111147014 194394963 /nfs/dbraw/zinc/39/49/63/194394963.db2.gz SKWYMRLATGGXMC-AWEZNQCLSA-N 1 3 314.271 2.332 10 0 DEAEHO CN(C)CCN(C)CC[C@H]([NH3+])c1ccccc1Br ZINC000111146721 194395465 /nfs/dbraw/zinc/39/54/65/194395465.db2.gz WOCJDMKDHVZJCH-AWEZNQCLSA-N 1 3 314.271 2.332 10 0 DEAEHO CC[C@@H](C)N1CCN(c2cc(C)[nH+]c(C)c2C(N)=S)CC1 ZINC000156672388 197131992 /nfs/dbraw/zinc/13/19/92/197131992.db2.gz TXBJWHBRNPRSPA-GFCCVEGCSA-N 1 3 306.479 2.253 10 0 DEAEHO C[NH+](C)CCO[C@@H]1CN(Cc2cccs2)[C@H]2CCCO[C@@H]12 ZINC000247993380 257112804 /nfs/dbraw/zinc/11/28/04/257112804.db2.gz LYIREKBECXNWIY-ARFHVFGLSA-N 1 3 310.463 2.058 10 0 DEAEHO C[C@H]1CCCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247396424 145135885 /nfs/dbraw/zinc/13/58/85/145135885.db2.gz HESZLPJQCNEEPK-XYTVBORESA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@H]1CCCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247396424 145135887 /nfs/dbraw/zinc/13/58/87/145135887.db2.gz HESZLPJQCNEEPK-XYTVBORESA-N 1 3 322.497 2.033 10 0 DEAEHO CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261549216 145206886 /nfs/dbraw/zinc/20/68/86/145206886.db2.gz OJPNJORIIPNBLE-ROUUACIJSA-N 1 3 315.461 2.252 10 0 DEAEHO CN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261550897 145207291 /nfs/dbraw/zinc/20/72/91/145207291.db2.gz PXDNIBWVWWABJR-AEFFLSMTSA-N 1 3 315.461 2.109 10 0 DEAEHO N[C@H](CC(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000261664523 145215040 /nfs/dbraw/zinc/21/50/40/145215040.db2.gz OHRXHNSJNWYSPN-MYCCOQIQSA-N 1 3 301.434 2.099 10 0 DEAEHO CN(C)[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561955 145293296 /nfs/dbraw/zinc/29/32/96/145293296.db2.gz VQMGVXCHSMOKAS-HZPDHXFCSA-N 1 3 303.450 2.184 10 0 DEAEHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263189826 145334204 /nfs/dbraw/zinc/33/42/04/145334204.db2.gz HSEPDZNCROWEGO-BVBHFADKSA-N 1 3 318.461 2.280 10 0 DEAEHO C[C@@H](CN1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073665115 401719994 /nfs/dbraw/zinc/71/99/94/401719994.db2.gz HUIRHHZJERWGPV-XYTVBORESA-N 1 3 322.497 2.175 10 0 DEAEHO C[C@@H](CN1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073665115 401719996 /nfs/dbraw/zinc/71/99/96/401719996.db2.gz HUIRHHZJERWGPV-XYTVBORESA-N 1 3 322.497 2.175 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000080582911 401890987 /nfs/dbraw/zinc/89/09/87/401890987.db2.gz CAZZIPDXUOKWHN-MRXNPFEDSA-N 1 3 324.513 2.282 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000133822817 401895083 /nfs/dbraw/zinc/89/50/83/401895083.db2.gz FYBSMNJMKRZHRA-IRXDYDNUSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000133822817 401895085 /nfs/dbraw/zinc/89/50/85/401895085.db2.gz FYBSMNJMKRZHRA-IRXDYDNUSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NCCN(C)Cc1ccccc1 ZINC000054764278 402071367 /nfs/dbraw/zinc/07/13/67/402071367.db2.gz DLTNOPBYMZISAU-MRXNPFEDSA-N 1 3 320.481 2.148 10 0 DEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCCC1 ZINC000176402979 402306599 /nfs/dbraw/zinc/30/65/99/402306599.db2.gz LBBFWLZERSHALM-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000176415368 402307205 /nfs/dbraw/zinc/30/72/05/402307205.db2.gz REOXWPFYWXGLRQ-BBWFWOEESA-N 1 3 324.513 2.231 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246196238 402518175 /nfs/dbraw/zinc/51/81/75/402518175.db2.gz MSFWFNDQCVGVDA-GVDBMIGSSA-N 1 3 324.513 2.375 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246196238 402518177 /nfs/dbraw/zinc/51/81/77/402518177.db2.gz MSFWFNDQCVGVDA-GVDBMIGSSA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@H](C(=O)N1CCCN(C2CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000178747354 402533751 /nfs/dbraw/zinc/53/37/51/402533751.db2.gz FWBYSMQQGPQLAA-YOEHRIQHSA-N 1 3 301.434 2.019 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248430548 402590312 /nfs/dbraw/zinc/59/03/12/402590312.db2.gz AXLMHIWOZUMYRE-HOTGVXAUSA-N 1 3 310.486 2.034 10 0 DEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000179517189 402593134 /nfs/dbraw/zinc/59/31/34/402593134.db2.gz PTPGBEDAEOYPAT-AWEZNQCLSA-N 1 3 322.497 2.232 10 0 DEAEHO CCCCOC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248652329 402601519 /nfs/dbraw/zinc/60/15/19/402601519.db2.gz NSSZJYTYKRQZCS-XYJFISCASA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248652329 402601522 /nfs/dbraw/zinc/60/15/22/402601522.db2.gz NSSZJYTYKRQZCS-XYJFISCASA-N 1 3 312.498 2.407 10 0 DEAEHO CCCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248652329 402601525 /nfs/dbraw/zinc/60/15/25/402601525.db2.gz NSSZJYTYKRQZCS-XYJFISCASA-N 1 3 312.498 2.407 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174173049 402730074 /nfs/dbraw/zinc/73/00/74/402730074.db2.gz KBXXQQSCSUMIOK-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000174527248 402745219 /nfs/dbraw/zinc/74/52/19/402745219.db2.gz BVUQGZAQZXJXDB-WBVHZDCISA-N 1 3 324.513 2.375 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000174745669 402755051 /nfs/dbraw/zinc/75/50/51/402755051.db2.gz HCIVTRSFWWNORE-IXDOHACOSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000174745669 402755054 /nfs/dbraw/zinc/75/50/54/402755054.db2.gz HCIVTRSFWWNORE-IXDOHACOSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193311909 402770534 /nfs/dbraw/zinc/77/05/34/402770534.db2.gz DUJXDXNASYFUDA-LSDHHAIUSA-N 1 3 303.450 2.456 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193696419 402775471 /nfs/dbraw/zinc/77/54/71/402775471.db2.gz HMESNEZEBNXQPE-OAHLLOKOSA-N 1 3 322.497 2.034 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146276 402785755 /nfs/dbraw/zinc/78/57/55/402785755.db2.gz LSVYGVXAGGDCAF-IXDOHACOSA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000194146276 402785757 /nfs/dbraw/zinc/78/57/57/402785757.db2.gz LSVYGVXAGGDCAF-IXDOHACOSA-N 1 3 324.513 2.138 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000309692982 403961697 /nfs/dbraw/zinc/96/16/97/403961697.db2.gz DJTIEQWJMRGRBX-SJORKVTESA-N 1 3 317.477 2.403 10 0 DEAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390717211 405047475 /nfs/dbraw/zinc/04/74/75/405047475.db2.gz CWVWWSXGUPKUIG-ZWKOTPCHSA-N 1 3 315.461 2.157 10 0 DEAEHO O[C@H](CNC1CC(OCc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000493945596 405615119 /nfs/dbraw/zinc/61/51/19/405615119.db2.gz SCUOUKZKJVHYDR-JLAWEPINSA-N 1 3 318.461 2.171 10 0 DEAEHO C[C@@H](C[NH3+])C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852007 405715285 /nfs/dbraw/zinc/71/52/85/405715285.db2.gz SPYIDBHGXNHMKB-RDJZCZTQSA-N 1 3 303.450 2.142 10 0 DEAEHO CC[C@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851754 405715808 /nfs/dbraw/zinc/71/58/08/405715808.db2.gz RQKZHHQPHNPRRN-IRXDYDNUSA-N 1 3 303.450 2.285 10 0 DEAEHO CC[C@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851754 405715809 /nfs/dbraw/zinc/71/58/09/405715809.db2.gz RQKZHHQPHNPRRN-IRXDYDNUSA-N 1 3 303.450 2.285 10 0 DEAEHO Brc1cccc2c1C[C@@H]1[C@@H](NC3CC[NH2+]CC3)[C@H]21 ZINC000634997375 406390852 /nfs/dbraw/zinc/39/08/52/406390852.db2.gz JTXBSQNFAKWGTE-NWANDNLSSA-N 1 3 307.235 2.429 10 0 DEAEHO Brc1cccc2c1C[C@@H]1[C@@H]([NH2+]C3CCNCC3)[C@H]21 ZINC000634997375 406390853 /nfs/dbraw/zinc/39/08/53/406390853.db2.gz JTXBSQNFAKWGTE-NWANDNLSSA-N 1 3 307.235 2.429 10 0 DEAEHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)N(C)C ZINC000554581575 406814980 /nfs/dbraw/zinc/81/49/80/406814980.db2.gz RQNWKSMKMCMYRH-DDBAPUKQSA-N 1 3 315.461 2.248 10 0 DEAEHO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1CCCCCC1 ZINC000129625591 196063318 /nfs/dbraw/zinc/06/33/18/196063318.db2.gz KBROYHBRBMXIIY-GTPINHCMSA-N 1 3 309.498 2.488 10 0 DEAEHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423011553 230315083 /nfs/dbraw/zinc/31/50/83/230315083.db2.gz JEZOFRWNSFVBKC-GVDBMIGSSA-N 1 3 300.450 2.407 10 0 DEAEHO c1cc2c(cccc2CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000423117350 230356536 /nfs/dbraw/zinc/35/65/36/230356536.db2.gz VBBQTFDNJUHDHA-NZSAHSFTSA-N 1 3 313.445 2.457 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388680651 424914548 /nfs/dbraw/zinc/91/45/48/424914548.db2.gz VLHLGCXZUFCPPX-QZTJIDSGSA-N 1 3 317.477 2.483 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000303207869 424892725 /nfs/dbraw/zinc/89/27/25/424892725.db2.gz OGFPTCJCLAIICX-FUHWJXTLSA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000309821540 424893680 /nfs/dbraw/zinc/89/36/80/424893680.db2.gz POXOVTLPNFHUBC-OOHWJJMZSA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@H]1CSC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507071 269106763 /nfs/dbraw/zinc/10/67/63/269106763.db2.gz JTRXPFAQPCTNGG-RDJZCZTQSA-N 1 3 320.502 2.355 10 0 DEAEHO C(CN1CCC[C@]2(CCOC2)C1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910380 269141046 /nfs/dbraw/zinc/14/10/46/269141046.db2.gz NEIFBNGFIZBWDS-OALUTQOASA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CCC[C@]2(CCOC2)C1)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451910380 269141047 /nfs/dbraw/zinc/14/10/47/269141047.db2.gz NEIFBNGFIZBWDS-OALUTQOASA-N 1 3 322.493 2.382 10 0 DEAEHO C[C@@H](O)CN1CCC(C[N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236493 278394984 /nfs/dbraw/zinc/39/49/84/278394984.db2.gz UNMCMFIAHYSOFQ-MRXNPFEDSA-N 1 3 318.461 2.284 10 0 DEAEHO C[C@@H](O)CN1CCC(C[N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236493 278394986 /nfs/dbraw/zinc/39/49/86/278394986.db2.gz UNMCMFIAHYSOFQ-MRXNPFEDSA-N 1 3 318.461 2.284 10 0 DEAEHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)C1 ZINC000249032407 534958431 /nfs/dbraw/zinc/95/84/31/534958431.db2.gz STNRJEWECLGBEN-BRWVUGGUSA-N 1 3 310.482 2.282 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000178877409 636471152 /nfs/dbraw/zinc/47/11/52/636471152.db2.gz OAKWUKQOIVPLQE-WMLDXEAASA-N 1 3 318.465 2.140 10 0 DEAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178877409 636471157 /nfs/dbraw/zinc/47/11/57/636471157.db2.gz OAKWUKQOIVPLQE-WMLDXEAASA-N 1 3 318.465 2.140 10 0 DEAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000168773153 646597727 /nfs/dbraw/zinc/59/77/27/646597727.db2.gz HTJFYUMOCGEYRD-CZUORRHYSA-N 1 3 307.438 2.329 10 0 DEAEHO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)n1 ZINC000379700230 685393314 /nfs/dbraw/zinc/39/33/14/685393314.db2.gz RPMZUMKUEYJVJI-HOCLYGCPSA-N 1 3 311.433 2.084 10 0 DEAEHO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)n1 ZINC000379700230 685393321 /nfs/dbraw/zinc/39/33/21/685393321.db2.gz RPMZUMKUEYJVJI-HOCLYGCPSA-N 1 3 311.433 2.084 10 0 DEAEHO O[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638699 792982705 /nfs/dbraw/zinc/98/27/05/792982705.db2.gz PUYHTDDGTYRZBK-VPAKFMSCSA-N 1 3 300.446 2.400 10 0 DEAEHO CCCN1CC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710914540 1086690512 /nfs/dbraw/zinc/69/05/12/1086690512.db2.gz PPEUGODTVKWANR-AWEZNQCLSA-N 1 3 311.470 2.175 10 0 DEAEHO [NH3+]Cc1ccc([C@@H](O)CN2CCC(C(F)(F)F)CC2)cc1 ZINC000088417858 185249212 /nfs/dbraw/zinc/24/92/12/185249212.db2.gz SZGVYGZTCOFUFB-AWEZNQCLSA-N 1 3 302.340 2.453 10 0 DEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132415248 283059597 /nfs/dbraw/zinc/05/95/97/283059597.db2.gz KMWDQEHRGAQEDT-YESZJQIVSA-N 1 3 324.513 2.088 10 0 DEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000132415248 283059598 /nfs/dbraw/zinc/05/95/98/283059598.db2.gz KMWDQEHRGAQEDT-YESZJQIVSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179152422 356015908 /nfs/dbraw/zinc/01/59/08/356015908.db2.gz VGZVNMNPEHEAOQ-IAGOWNOFSA-N 1 3 318.465 2.071 10 0 DEAEHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179152422 356015912 /nfs/dbraw/zinc/01/59/12/356015912.db2.gz VGZVNMNPEHEAOQ-IAGOWNOFSA-N 1 3 318.465 2.071 10 0 DEAEHO C[NH2+]CCOCCN(C)Cc1ccc(Br)cc1C ZINC000629572541 367256809 /nfs/dbraw/zinc/25/68/09/367256809.db2.gz WMEGHUMVFZGNNK-UHFFFAOYSA-N 1 3 315.255 2.425 10 0 DEAEHO CC(C)NCc1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000094443432 193369344 /nfs/dbraw/zinc/36/93/44/193369344.db2.gz UNTZVTVEXAVFCD-OAHLLOKOSA-N 1 3 308.495 2.311 10 0 DEAEHO CC(C)NCc1nc(CN2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000094443432 193369346 /nfs/dbraw/zinc/36/93/46/193369346.db2.gz UNTZVTVEXAVFCD-OAHLLOKOSA-N 1 3 308.495 2.311 10 0 DEAEHO C[NH+](C)[C@H]1CCN(c2nc(-c3ccccc3)c(CN)s2)C1 ZINC000110275428 194318735 /nfs/dbraw/zinc/31/87/35/194318735.db2.gz ZUODZXHEGCVHJT-ZDUSSCGKSA-N 1 3 302.447 2.409 10 0 DEAEHO C[NH+](C)C[C@H]1CCCN1[C@@H](CN)c1ccc(Br)o1 ZINC000061643114 184180102 /nfs/dbraw/zinc/18/01/02/184180102.db2.gz RCCZCEFTEJIROP-MNOVXSKESA-N 1 3 316.243 2.068 10 0 DEAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000119925584 195063548 /nfs/dbraw/zinc/06/35/48/195063548.db2.gz VJOKCVRAONPSSX-MGPQQGTHSA-N 1 3 308.857 2.386 10 0 DEAEHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000119925584 195063551 /nfs/dbraw/zinc/06/35/51/195063551.db2.gz VJOKCVRAONPSSX-MGPQQGTHSA-N 1 3 308.857 2.386 10 0 DEAEHO Cc1cc(N2CCN(CC(C)C)CC2)c(C(N)=S)c(C)[nH+]1 ZINC000156672693 197132336 /nfs/dbraw/zinc/13/23/36/197132336.db2.gz XGEZEFYRGSKCSV-UHFFFAOYSA-N 1 3 306.479 2.111 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107838133 285229864 /nfs/dbraw/zinc/22/98/64/285229864.db2.gz IOGDMYSUGLURDD-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000246574384 145107139 /nfs/dbraw/zinc/10/71/39/145107139.db2.gz ZMLZDGBEWVUJJX-BBWFWOEESA-N 1 3 322.497 2.127 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000246574384 145107140 /nfs/dbraw/zinc/10/71/40/145107140.db2.gz ZMLZDGBEWVUJJX-BBWFWOEESA-N 1 3 322.497 2.127 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000261812354 145229310 /nfs/dbraw/zinc/22/93/10/145229310.db2.gz RXWMKVARIUPDDI-NRSFXHEJSA-N 1 3 315.461 2.141 10 0 DEAEHO COc1ccc(CN2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261893523 145238317 /nfs/dbraw/zinc/23/83/17/145238317.db2.gz UHZNTVKMBHUUKM-IBGZPJMESA-N 1 3 317.477 2.203 10 0 DEAEHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000128322882 401771546 /nfs/dbraw/zinc/77/15/46/401771546.db2.gz VANRCMDQGHKDBD-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000128322882 401771548 /nfs/dbraw/zinc/77/15/48/401771548.db2.gz VANRCMDQGHKDBD-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000113600765 401783082 /nfs/dbraw/zinc/78/30/82/401783082.db2.gz DCIRCPMFZXKLSU-HZPDHXFCSA-N 1 3 310.486 2.034 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000113600765 401783084 /nfs/dbraw/zinc/78/30/84/401783084.db2.gz DCIRCPMFZXKLSU-HZPDHXFCSA-N 1 3 310.486 2.034 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCOCC2 ZINC000186253085 402415131 /nfs/dbraw/zinc/41/51/31/402415131.db2.gz BAYWDVPNWHKDEK-WCXIOVBPSA-N 1 3 308.466 2.177 10 0 DEAEHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C12CCOCC2 ZINC000186253085 402415133 /nfs/dbraw/zinc/41/51/33/402415133.db2.gz BAYWDVPNWHKDEK-WCXIOVBPSA-N 1 3 308.466 2.177 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000245672418 402477978 /nfs/dbraw/zinc/47/79/78/402477978.db2.gz FMWRZEGANACEQU-DOTOQJQBSA-N 1 3 324.513 2.233 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000245910407 402496757 /nfs/dbraw/zinc/49/67/57/402496757.db2.gz VNLVIJMMPCXJIH-BHYGNILZSA-N 1 3 307.482 2.192 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000245910407 402496759 /nfs/dbraw/zinc/49/67/59/402496759.db2.gz VNLVIJMMPCXJIH-BHYGNILZSA-N 1 3 307.482 2.192 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000245910413 402496816 /nfs/dbraw/zinc/49/68/16/402496816.db2.gz VNLVIJMMPCXJIH-USXIJHARSA-N 1 3 307.482 2.192 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000245910413 402496817 /nfs/dbraw/zinc/49/68/17/402496817.db2.gz VNLVIJMMPCXJIH-USXIJHARSA-N 1 3 307.482 2.192 10 0 DEAEHO COC[C@H](C)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000187602225 402506307 /nfs/dbraw/zinc/50/63/07/402506307.db2.gz RNMYYINEJHCFAC-OAHLLOKOSA-N 1 3 306.450 2.015 10 0 DEAEHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000190137326 402578410 /nfs/dbraw/zinc/57/84/10/402578410.db2.gz FSDRDBRJVPNJMG-MRXNPFEDSA-N 1 3 312.502 2.234 10 0 DEAEHO CC(C)[NH+](CCCNC(=O)N1CC[C@H](N2CC=CC2)C1)C(C)C ZINC000174355731 402738023 /nfs/dbraw/zinc/73/80/23/402738023.db2.gz QRDDOBDFKZVKCV-KRWDZBQOSA-N 1 3 322.497 2.151 10 0 DEAEHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN2C)CC1 ZINC000175451413 402807662 /nfs/dbraw/zinc/80/76/62/402807662.db2.gz RACLDHNHSHUKFJ-KRWDZBQOSA-N 1 3 324.513 2.138 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000194740267 402813833 /nfs/dbraw/zinc/81/38/33/402813833.db2.gz UJJVTDYUPSEONL-MSOLQXFVSA-N 1 3 317.477 2.355 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000194740267 402813834 /nfs/dbraw/zinc/81/38/34/402813834.db2.gz UJJVTDYUPSEONL-MSOLQXFVSA-N 1 3 317.477 2.355 10 0 DEAEHO CN(CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)Cc1ccccc1 ZINC000634763943 406271258 /nfs/dbraw/zinc/27/12/58/406271258.db2.gz HPPGYRQTQUDOAR-HKUYNNGSSA-N 1 3 315.461 2.014 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771363 406275997 /nfs/dbraw/zinc/27/59/97/406275997.db2.gz SBHOOJAXOVEXHX-IEZWGBDMSA-N 1 3 315.461 2.013 10 0 DEAEHO CCN(CC)CCC[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634949063 406365029 /nfs/dbraw/zinc/36/50/29/406365029.db2.gz GMFHGJLQLBCMGU-CABCVRRESA-N 1 3 304.500 2.054 10 0 DEAEHO C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CCCNC1 ZINC000643489436 407006643 /nfs/dbraw/zinc/00/66/43/407006643.db2.gz JIXRTRBCHYJMCS-NEPJUHHUSA-N 1 3 315.259 2.013 10 0 DEAEHO CN(C)CCN(Cc1ccccc1)C(=O)C1CCC([NH3+])CC1 ZINC000381483887 424908353 /nfs/dbraw/zinc/90/83/53/424908353.db2.gz GRIWXQHUPGUOCF-UHFFFAOYSA-N 1 3 303.450 2.094 10 0 DEAEHO [NH3+]C1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000303090359 424892654 /nfs/dbraw/zinc/89/26/54/424892654.db2.gz SJPLRLVRIISRBV-DAWZGUTISA-N 1 3 315.461 2.285 10 0 DEAEHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125291 277151459 /nfs/dbraw/zinc/15/14/59/277151459.db2.gz DLPSQPQGQAEKER-DOTOQJQBSA-N 1 3 324.509 2.407 10 0 DEAEHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125291 277151460 /nfs/dbraw/zinc/15/14/60/277151460.db2.gz DLPSQPQGQAEKER-DOTOQJQBSA-N 1 3 324.509 2.407 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000113231446 288305055 /nfs/dbraw/zinc/30/50/55/288305055.db2.gz STNDPNAHEWOQOP-RHSMWYFYSA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000113231446 288305056 /nfs/dbraw/zinc/30/50/56/288305056.db2.gz STNDPNAHEWOQOP-RHSMWYFYSA-N 1 3 301.434 2.057 10 0 DEAEHO NC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000238010500 295241104 /nfs/dbraw/zinc/24/11/04/295241104.db2.gz WFNLHQJVSGKWMS-GOSISDBHSA-N 1 3 315.461 2.063 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381828621 685402260 /nfs/dbraw/zinc/40/22/60/685402260.db2.gz IAUHGNLFVNYKAL-YTQUADARSA-N 1 3 320.477 2.273 10 0 DEAEHO C[NH+](C)CCCC(C)(C)NCc1nc(Br)c[nH]1 ZINC000387267451 685421735 /nfs/dbraw/zinc/42/17/35/685421735.db2.gz CWTNJIXGHZSTLY-UHFFFAOYSA-N 1 3 303.248 2.382 10 0 DEAEHO OC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716653600 792983950 /nfs/dbraw/zinc/98/39/50/792983950.db2.gz ZBUJPMXVOVESPY-OYSTVDSJSA-N 1 3 300.446 2.400 10 0 DEAEHO CC(C)N1CC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710973726 1086692622 /nfs/dbraw/zinc/69/26/22/1086692622.db2.gz RCWUCLPZXPWSSQ-CQSZACIVSA-N 1 3 311.470 2.173 10 0 DEAEHO CC(C)CNCc1nc(CN(C)C[C@@H]2CCC[N@@H+]2C)cs1 ZINC000092674604 185333064 /nfs/dbraw/zinc/33/30/64/185333064.db2.gz VPPLMBQKRJQLTR-HNNXBMFYSA-N 1 3 310.511 2.415 10 0 DEAEHO CC(C)CNCc1nc(CN(C)C[C@@H]2CCC[N@H+]2C)cs1 ZINC000092674604 185333065 /nfs/dbraw/zinc/33/30/65/185333065.db2.gz VPPLMBQKRJQLTR-HNNXBMFYSA-N 1 3 310.511 2.415 10 0 DEAEHO CC(C)CO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181559852 539652047 /nfs/dbraw/zinc/65/20/47/539652047.db2.gz GTCWQACTXLKZPW-GVDBMIGSSA-N 1 3 312.498 2.263 10 0 DEAEHO CC(C)CO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245853579 539758997 /nfs/dbraw/zinc/75/89/97/539758997.db2.gz GTCWQACTXLKZPW-BRWVUGGUSA-N 1 3 312.498 2.263 10 0 DEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(CN(C)C)c1 ZINC000073079176 191277338 /nfs/dbraw/zinc/27/73/38/191277338.db2.gz FHSGAUMNRMPCEX-KRWDZBQOSA-N 1 3 305.466 2.454 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000121447628 355796016 /nfs/dbraw/zinc/79/60/16/355796016.db2.gz UOJHLTGIKRIYLI-AYBZRNKSSA-N 1 3 315.461 2.298 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000157746023 355957121 /nfs/dbraw/zinc/95/71/21/355957121.db2.gz ZQOVGWPSHFFRLU-MRXNPFEDSA-N 1 3 324.513 2.140 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262666657 356343746 /nfs/dbraw/zinc/34/37/46/356343746.db2.gz KHDMYCQSUSUALX-HZMVEIRTSA-N 1 3 307.482 2.288 10 0 DEAEHO CCC(CC)[N@H+](CCOC)[C@@H]1CC[C@@](CO)(NC(C)C)C1 ZINC000093857099 193319318 /nfs/dbraw/zinc/31/93/18/193319318.db2.gz FYKYRVWLFFKQFA-IAGOWNOFSA-N 1 3 300.487 2.405 10 0 DEAEHO CCC(CC)[N@@H+](CCOC)[C@@H]1CC[C@@](CO)(NC(C)C)C1 ZINC000093857099 193319319 /nfs/dbraw/zinc/31/93/19/193319319.db2.gz FYKYRVWLFFKQFA-IAGOWNOFSA-N 1 3 300.487 2.405 10 0 DEAEHO CCC(CC)N(CCOC)[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093857099 193319321 /nfs/dbraw/zinc/31/93/21/193319321.db2.gz FYKYRVWLFFKQFA-IAGOWNOFSA-N 1 3 300.487 2.405 10 0 DEAEHO C[NH+](C)C1CCN(c2nc(C(F)(F)F)ccc2CN)CC1 ZINC000094334128 193360003 /nfs/dbraw/zinc/36/00/03/193360003.db2.gz LFYAGEFSQNZGFS-UHFFFAOYSA-N 1 3 302.344 2.090 10 0 DEAEHO CC[NH2+]C1CCC(N(C)[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634027 193385676 /nfs/dbraw/zinc/38/56/76/193385676.db2.gz BISIZFYNLHQCPK-CKUJCDMFSA-N 1 3 316.511 2.195 10 0 DEAEHO CCN[C@@H]1[C@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429309 193368290 /nfs/dbraw/zinc/36/82/90/193368290.db2.gz GZKJEUZPRHVULS-LSDHHAIUSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@@H]1[C@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429309 193368292 /nfs/dbraw/zinc/36/82/92/193368292.db2.gz GZKJEUZPRHVULS-LSDHHAIUSA-N 1 3 300.487 2.261 10 0 DEAEHO CC[NH2+][C@@H]1[C@H](CN(CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429309 193368293 /nfs/dbraw/zinc/36/82/93/193368293.db2.gz GZKJEUZPRHVULS-LSDHHAIUSA-N 1 3 300.487 2.261 10 0 DEAEHO C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCN(C)C ZINC000111130448 194393519 /nfs/dbraw/zinc/39/35/19/194393519.db2.gz FEYGCZUKQLZQRY-SKDRFNHKSA-N 1 3 320.300 2.392 10 0 DEAEHO C[NH+](C)[C@H]1CCN([C@@H](CN)c2cc(Br)cs2)C1 ZINC000062964180 184262814 /nfs/dbraw/zinc/26/28/14/184262814.db2.gz PCDAUCBCRIHTER-QWRGUYRKSA-N 1 3 318.284 2.146 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000159291753 197343209 /nfs/dbraw/zinc/34/32/09/197343209.db2.gz GODCDFXQOZAMDT-CYBMUJFWSA-N 1 3 307.335 2.338 10 0 DEAEHO C[C@]1(CN2CCC(c3ncc4n3CCCC4)CC2)CC[NH2+]C1 ZINC000261719966 145219673 /nfs/dbraw/zinc/21/96/73/145219673.db2.gz FSLUKQNFMLFICV-SFHVURJKSA-N 1 3 302.466 2.398 10 0 DEAEHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C[C@]1(C)CC[NH2+]C1 ZINC000262093901 145260354 /nfs/dbraw/zinc/26/03/54/145260354.db2.gz UZWLPHOZBIFHKC-OKZBNKHCSA-N 1 3 302.466 2.006 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111884275 401727145 /nfs/dbraw/zinc/72/71/45/401727145.db2.gz ZLTNIQVQIRQYJB-QGZVFWFLSA-N 1 3 322.497 2.131 10 0 DEAEHO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113513798 401781511 /nfs/dbraw/zinc/78/15/11/401781511.db2.gz LAJPAXHLENBZJJ-SJORKVTESA-N 1 3 320.477 2.433 10 0 DEAEHO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113513798 401781513 /nfs/dbraw/zinc/78/15/13/401781513.db2.gz LAJPAXHLENBZJJ-SJORKVTESA-N 1 3 320.477 2.433 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119674770 401962833 /nfs/dbraw/zinc/96/28/33/401962833.db2.gz VWIFHMUHEDWBTC-JCYILVPMSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000048215929 401995921 /nfs/dbraw/zinc/99/59/21/401995921.db2.gz RRFYQRNKAXHZHU-RDJZCZTQSA-N 1 3 320.481 2.319 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000152376393 402093501 /nfs/dbraw/zinc/09/35/01/402093501.db2.gz MLXLHIULEVAHSO-MRXNPFEDSA-N 1 3 312.502 2.088 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000152376393 402093504 /nfs/dbraw/zinc/09/35/04/402093504.db2.gz MLXLHIULEVAHSO-MRXNPFEDSA-N 1 3 312.502 2.088 10 0 DEAEHO COC[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C(C)C ZINC000124742964 402194843 /nfs/dbraw/zinc/19/48/43/402194843.db2.gz XQUXCGMLTKTZGV-KRWDZBQOSA-N 1 3 311.514 2.197 10 0 DEAEHO c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624542 402393478 /nfs/dbraw/zinc/39/34/78/402393478.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624542 402393480 /nfs/dbraw/zinc/39/34/80/402393480.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000161624542 402393482 /nfs/dbraw/zinc/39/34/82/402393482.db2.gz LXBSKBOZEKNDTA-IAGOWNOFSA-N 1 3 300.450 2.267 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000246199120 402517896 /nfs/dbraw/zinc/51/78/96/402517896.db2.gz MWZOKDYKCCHBGS-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000246199120 402517897 /nfs/dbraw/zinc/51/78/97/402517897.db2.gz MWZOKDYKCCHBGS-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246280534 402522654 /nfs/dbraw/zinc/52/26/54/402522654.db2.gz NMMQCQSKSJCZDF-ZGRYLRDCSA-N 1 3 324.513 2.088 10 0 DEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)CC(C)C ZINC000170828193 402530197 /nfs/dbraw/zinc/53/01/97/402530197.db2.gz IVFLQVHJXZOGOO-CVEARBPZSA-N 1 3 312.502 2.088 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000246505778 402534097 /nfs/dbraw/zinc/53/40/97/402534097.db2.gz WUUHZXXCNAUQHC-BBWFWOEESA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000246505778 402534099 /nfs/dbraw/zinc/53/40/99/402534099.db2.gz WUUHZXXCNAUQHC-BBWFWOEESA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H](CCNC(=O)N1CCCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000182696082 402709402 /nfs/dbraw/zinc/70/94/02/402709402.db2.gz CYCHJTRWWKSWNK-MRXNPFEDSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C[NH+]1CCCCC1 ZINC000174174117 402730032 /nfs/dbraw/zinc/73/00/32/402730032.db2.gz GYBVFXJIWMRNNF-ZACQAIPSSA-N 1 3 324.513 2.233 10 0 DEAEHO CN1CCC(C[NH2+]C[C@H]2CCC=CO2)(N2CCCCC2)CC1 ZINC000194485135 402799577 /nfs/dbraw/zinc/79/95/77/402799577.db2.gz LAYYCTZKCMIYTK-QGZVFWFLSA-N 1 3 307.482 2.219 10 0 DEAEHO C[NH+]1CCC(CC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000362923522 404004953 /nfs/dbraw/zinc/00/49/53/404004953.db2.gz SRARESRWRFGVFT-UHFFFAOYSA-N 1 3 307.482 2.195 10 0 DEAEHO C(CN1CC[C@]2(C1)CCCOC2)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276777 404720534 /nfs/dbraw/zinc/72/05/34/404720534.db2.gz HOLSSGQZPVULED-OALUTQOASA-N 1 3 322.493 2.382 10 0 DEAEHO C(CN1CC[C@]2(C1)CCCOC2)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276777 404720537 /nfs/dbraw/zinc/72/05/37/404720537.db2.gz HOLSSGQZPVULED-OALUTQOASA-N 1 3 322.493 2.382 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000389875878 405041625 /nfs/dbraw/zinc/04/16/25/405041625.db2.gz LRGIZRPCXBEQSR-ATLSCFEFSA-N 1 3 315.461 2.011 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638286259 406672052 /nfs/dbraw/zinc/67/20/52/406672052.db2.gz OQTXERCMCJDUEL-MRXNPFEDSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398041132 424922497 /nfs/dbraw/zinc/92/24/97/424922497.db2.gz RXWMKVARIUPDDI-BGTYHANMSA-N 1 3 315.461 2.141 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000245878209 279123835 /nfs/dbraw/zinc/12/38/35/279123835.db2.gz AVANSJHXFFACOW-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000245878209 279123838 /nfs/dbraw/zinc/12/38/38/279123838.db2.gz AVANSJHXFFACOW-BRWVUGGUSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000074492930 279309474 /nfs/dbraw/zinc/30/94/74/279309474.db2.gz GESXQMZGPVEJSR-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO CN(CC1CCN(C)CC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125300037 281811066 /nfs/dbraw/zinc/81/10/66/281811066.db2.gz QMOBSLSLHLYHPC-UHFFFAOYSA-N 1 3 324.513 2.090 10 0 DEAEHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000166324369 301795668 /nfs/dbraw/zinc/79/56/68/301795668.db2.gz BRHNFOUDQBQBRH-SQNIBIBYSA-N 1 3 315.461 2.376 10 0 DEAEHO CCN(C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1)CC(F)(F)F ZINC000261960258 535770623 /nfs/dbraw/zinc/77/06/23/535770623.db2.gz HFFQQPNZQBWVQC-UONOGXRCSA-N 1 3 307.404 2.192 10 0 DEAEHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000261975929 535913218 /nfs/dbraw/zinc/91/32/18/535913218.db2.gz QTPNLEBSELDOKI-KGLIPLIRSA-N 1 3 305.422 2.083 10 0 DEAEHO COC[C@@H](O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620180 792978569 /nfs/dbraw/zinc/97/85/69/792978569.db2.gz LNHVSFNVXGAUHL-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO CN(C)C(=O)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716734521 793004882 /nfs/dbraw/zinc/00/48/82/793004882.db2.gz WAYINSSAZODQAH-BZSNNMDCSA-N 1 3 315.461 2.107 10 0 DEAEHO CN(C)C(=O)CCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716734521 793004893 /nfs/dbraw/zinc/00/48/93/793004893.db2.gz WAYINSSAZODQAH-BZSNNMDCSA-N 1 3 315.461 2.107 10 0 DEAEHO CN(C)C(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734521 793004905 /nfs/dbraw/zinc/00/49/05/793004905.db2.gz WAYINSSAZODQAH-BZSNNMDCSA-N 1 3 315.461 2.107 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)CN1Cc1ccccc1 ZINC000711344625 1087069697 /nfs/dbraw/zinc/06/96/97/1087069697.db2.gz JLASIKYYWMVSDW-DJIMGWMZSA-N 1 3 315.461 2.011 10 0 DEAEHO CC[NH2+][C@@H](C)CCc1c(Br)cnn1CCN(C)C ZINC000163095834 197611626 /nfs/dbraw/zinc/61/16/26/197611626.db2.gz ZGAUYDMUHWCBSJ-NSHDSACASA-N 1 3 317.275 2.138 10 0 DEAEHO CN(CCC(=O)Nc1ccc(C[NH3+])cc1)CCC(F)(F)F ZINC000088417572 185249145 /nfs/dbraw/zinc/24/91/45/185249145.db2.gz HDFVVMAWPCPDKB-UHFFFAOYSA-N 1 3 303.328 2.358 10 0 DEAEHO CN1CCCN(CCC[NH2+]Cc2cccc3cnccc32)CC1 ZINC000181524101 539651714 /nfs/dbraw/zinc/65/17/14/539651714.db2.gz MVNODXBTBYTGKQ-UHFFFAOYSA-N 1 3 312.461 2.352 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309693230 539878415 /nfs/dbraw/zinc/87/84/15/539878415.db2.gz CITYAIDGDOODMW-IAGOWNOFSA-N 1 3 303.450 2.093 10 0 DEAEHO C[C@H]1C[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]1 ZINC000262358971 291044478 /nfs/dbraw/zinc/04/44/78/291044478.db2.gz IIBWFXMSFBIATE-KKUMJFAQSA-N 1 3 321.490 2.389 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382727584 540123555 /nfs/dbraw/zinc/12/35/55/540123555.db2.gz WCJZPFPPVDQKOQ-WMZOPIPTSA-N 1 3 317.477 2.483 10 0 DEAEHO CN(CCNC(=O)c1ccccc1CC[NH3+])Cc1ccccc1 ZINC000386792548 356699464 /nfs/dbraw/zinc/69/94/64/356699464.db2.gz OPFPGXISHVYEAS-UHFFFAOYSA-N 1 3 311.429 2.050 10 0 DEAEHO C[C@@H]1CN(CCOc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000631837489 368414804 /nfs/dbraw/zinc/41/48/04/368414804.db2.gz BVRKVULLWIZVGA-VXGBXAGGSA-N 1 3 313.239 2.355 10 0 DEAEHO CC[NH2+][C@H](C)C1CCN([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634007 193385574 /nfs/dbraw/zinc/38/55/74/193385574.db2.gz JCOICSWSOXIHGO-KBMXLJTQSA-N 1 3 316.511 2.052 10 0 DEAEHO c1ccc(OCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238420 284383122 /nfs/dbraw/zinc/38/31/22/284383122.db2.gz NKDKFXRUPVQEBM-SFHVURJKSA-N 1 3 304.434 2.156 10 0 DEAEHO CC[NH+]1CCC(N(C)c2nc3sccn3c2CNC)CC1 ZINC000042681076 183296036 /nfs/dbraw/zinc/29/60/36/183296036.db2.gz SSKUJIOBNRYZRR-UHFFFAOYSA-N 1 3 307.467 2.036 10 0 DEAEHO CNCc1c(N(CC[NH+](C)C)CC(C)C)nc2sccn12 ZINC000042777816 183307697 /nfs/dbraw/zinc/30/76/97/183307697.db2.gz GVGYZQZSBWCGSL-UHFFFAOYSA-N 1 3 309.483 2.139 10 0 DEAEHO C[C@@H]1CC(O)C[C@H](C)N1C/C=C\C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000429282908 296289890 /nfs/dbraw/zinc/28/98/90/296289890.db2.gz DVVAKBYCUZLMPB-DMWZWNPZSA-N 1 3 310.482 2.010 10 0 DEAEHO C[C@@H]1CC(O)C[C@H](C)N1C/C=C\C[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000429282908 296289892 /nfs/dbraw/zinc/28/98/92/296289892.db2.gz DVVAKBYCUZLMPB-DMWZWNPZSA-N 1 3 310.482 2.010 10 0 DEAEHO CN1CCN(c2cc(Br)ccc2C[NH3+])CC1(C)C ZINC000110731141 194354817 /nfs/dbraw/zinc/35/48/17/194354817.db2.gz BFEHSDFUTHAAKZ-UHFFFAOYSA-N 1 3 312.255 2.438 10 0 DEAEHO CC(C)NCc1c(N(C)CCC[NH+](C)C)nc2sccn12 ZINC000111140670 194394265 /nfs/dbraw/zinc/39/42/65/194394265.db2.gz YYRYRLYJDUFMOX-UHFFFAOYSA-N 1 3 309.483 2.282 10 0 DEAEHO CC(C)CNCc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654691 184181152 /nfs/dbraw/zinc/18/11/52/184181152.db2.gz PJJJAKKXZSWGNI-OAHLLOKOSA-N 1 3 310.511 2.415 10 0 DEAEHO C[C@H](CCN1CCN(c2nccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000156267550 197100455 /nfs/dbraw/zinc/10/04/55/197100455.db2.gz XHJDWESKVDXGID-CABCVRRESA-N 1 3 308.495 2.291 10 0 DEAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cn1 ZINC000247130700 145126895 /nfs/dbraw/zinc/12/68/95/145126895.db2.gz RRZPMXBFGSTBGZ-JKIFEVAISA-N 1 3 313.449 2.394 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000247473650 145138690 /nfs/dbraw/zinc/13/86/90/145138690.db2.gz RWWUXDLBINNTJX-PBHICJAKSA-N 1 3 316.449 2.449 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000247473650 145138691 /nfs/dbraw/zinc/13/86/91/145138691.db2.gz RWWUXDLBINNTJX-PBHICJAKSA-N 1 3 316.449 2.449 10 0 DEAEHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834955 145231880 /nfs/dbraw/zinc/23/18/80/145231880.db2.gz ULJYLKLWMPPUOO-XOYOTBSWSA-N 1 3 315.461 2.313 10 0 DEAEHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263189832 145334272 /nfs/dbraw/zinc/33/42/72/145334272.db2.gz HSEPDZNCROWEGO-WNHJNPCNSA-N 1 3 318.461 2.280 10 0 DEAEHO C(CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)C[NH+]1CCCC1 ZINC000152293251 402087459 /nfs/dbraw/zinc/08/74/59/402087459.db2.gz FGASJPKLQBSNFB-OAHLLOKOSA-N 1 3 303.454 2.347 10 0 DEAEHO C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C[NH+]1CCCC1 ZINC000152293251 402087461 /nfs/dbraw/zinc/08/74/61/402087461.db2.gz FGASJPKLQBSNFB-OAHLLOKOSA-N 1 3 303.454 2.347 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000177333375 402392190 /nfs/dbraw/zinc/39/21/90/402392190.db2.gz XXEIFJPIQORUJE-HNNXBMFYSA-N 1 3 324.513 2.421 10 0 DEAEHO c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624651 402393809 /nfs/dbraw/zinc/39/38/09/402393809.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000161624651 402393812 /nfs/dbraw/zinc/39/38/12/402393812.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000161624651 402393813 /nfs/dbraw/zinc/39/38/13/402393813.db2.gz LXBSKBOZEKNDTA-DLBZAZTESA-N 1 3 300.450 2.267 10 0 DEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000171192369 402565081 /nfs/dbraw/zinc/56/50/81/402565081.db2.gz MWEAAFWGQJTIGT-OAGGEKHMSA-N 1 3 324.513 2.136 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246196233 402518156 /nfs/dbraw/zinc/51/81/56/402518156.db2.gz MSFWFNDQCVGVDA-BBWFWOEESA-N 1 3 324.513 2.375 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246196233 402518157 /nfs/dbraw/zinc/51/81/57/402518157.db2.gz MSFWFNDQCVGVDA-BBWFWOEESA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553854 402536535 /nfs/dbraw/zinc/53/65/35/402536535.db2.gz YSTNGUSBCVTXCM-QBPKDAKJSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553854 402536538 /nfs/dbraw/zinc/53/65/38/402536538.db2.gz YSTNGUSBCVTXCM-QBPKDAKJSA-N 1 3 324.513 2.231 10 0 DEAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247920046 402577963 /nfs/dbraw/zinc/57/79/63/402577963.db2.gz BQMXHKMOJCOIJK-CABCVRRESA-N 1 3 311.470 2.460 10 0 DEAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247920046 402577964 /nfs/dbraw/zinc/57/79/64/402577964.db2.gz BQMXHKMOJCOIJK-CABCVRRESA-N 1 3 311.470 2.460 10 0 DEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000175769678 402831012 /nfs/dbraw/zinc/83/10/12/402831012.db2.gz BTHDUGXAPIBTCG-KRWDZBQOSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000194146137 402785525 /nfs/dbraw/zinc/78/55/25/402785525.db2.gz IMERHUBMEKWVMG-INIZCTEOSA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000194146137 402785529 /nfs/dbraw/zinc/78/55/29/402785529.db2.gz IMERHUBMEKWVMG-INIZCTEOSA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000194160106 402786288 /nfs/dbraw/zinc/78/62/88/402786288.db2.gz LPSBEPQYFPZROE-OAHLLOKOSA-N 1 3 310.486 2.033 10 0 DEAEHO O=C(Nc1ccccc1)N1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000333277760 403714026 /nfs/dbraw/zinc/71/40/26/403714026.db2.gz LTTLMJNTOCKNMV-HZPDHXFCSA-N 1 3 302.422 2.025 10 0 DEAEHO O=C(C[C@H]1CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000323788780 404095023 /nfs/dbraw/zinc/09/50/23/404095023.db2.gz GBPZCGNWYFVSPV-GOSISDBHSA-N 1 3 315.461 2.111 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC1CC1 ZINC000525302087 406483674 /nfs/dbraw/zinc/48/36/74/406483674.db2.gz MAASISONIBQAKI-QGZVFWFLSA-N 1 3 324.513 2.234 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC1CC1 ZINC000525302087 406483679 /nfs/dbraw/zinc/48/36/79/406483679.db2.gz MAASISONIBQAKI-QGZVFWFLSA-N 1 3 324.513 2.234 10 0 DEAEHO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000638079187 406558303 /nfs/dbraw/zinc/55/83/03/406558303.db2.gz CHOYSEPFVYTAPY-QZTJIDSGSA-N 1 3 313.445 2.205 10 0 DEAEHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422762147 230195239 /nfs/dbraw/zinc/19/52/39/230195239.db2.gz RVAVFQAZDWMMLJ-INDMIFKZSA-N 1 3 300.446 2.291 10 0 DEAEHO CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000390738391 424917618 /nfs/dbraw/zinc/91/76/18/424917618.db2.gz ABFNJWFYVACBFM-MRXNPFEDSA-N 1 3 303.450 2.237 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309593263 424893377 /nfs/dbraw/zinc/89/33/77/424893377.db2.gz PJGAUINUXJEDEE-DLBZAZTESA-N 1 3 303.450 2.141 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1csc(Br)c1 ZINC000397280301 269105276 /nfs/dbraw/zinc/10/52/76/269105276.db2.gz ACQSMVCJIUECSG-SNVBAGLBSA-N 1 3 307.257 2.354 10 0 DEAEHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N1CCCCCC1 ZINC000174537577 278150723 /nfs/dbraw/zinc/15/07/23/278150723.db2.gz FTIQZNFVAWFELQ-MGNMYUMUSA-N 1 3 307.482 2.382 10 0 DEAEHO C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCCCCC1 ZINC000174537577 278150725 /nfs/dbraw/zinc/15/07/25/278150725.db2.gz FTIQZNFVAWFELQ-MGNMYUMUSA-N 1 3 307.482 2.382 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247426057 279293726 /nfs/dbraw/zinc/29/37/26/279293726.db2.gz VOSQCIRWQLUXOM-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000245425288 279298058 /nfs/dbraw/zinc/29/80/58/279298058.db2.gz TVRLHDLJOQNBAF-BRWVUGGUSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000245425288 279298059 /nfs/dbraw/zinc/29/80/59/279298059.db2.gz TVRLHDLJOQNBAF-BRWVUGGUSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097176 635540094 /nfs/dbraw/zinc/54/00/94/635540094.db2.gz DDOKMLFWCSBJKV-TVFCKZIOSA-N 1 3 321.440 2.180 10 0 DEAEHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097176 635540098 /nfs/dbraw/zinc/54/00/98/635540098.db2.gz DDOKMLFWCSBJKV-TVFCKZIOSA-N 1 3 321.440 2.180 10 0 DEAEHO OCCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623367 792981203 /nfs/dbraw/zinc/98/12/03/792981203.db2.gz ZWKYYGZAPJUSIS-FHWLQOOXSA-N 1 3 318.461 2.028 10 0 DEAEHO C[N@H+](Cc1ccc(Br)cc1)C[C@@]1(C)COC[C@@H]1N ZINC000090606687 185306540 /nfs/dbraw/zinc/30/65/40/185306540.db2.gz JNHFOMPYSYEHHB-KBPBESRZSA-N 1 3 313.239 2.245 10 0 DEAEHO C[N@@H+](Cc1ccc(Br)cc1)C[C@@]1(C)COC[C@@H]1N ZINC000090606687 185306541 /nfs/dbraw/zinc/30/65/41/185306541.db2.gz JNHFOMPYSYEHHB-KBPBESRZSA-N 1 3 313.239 2.245 10 0 DEAEHO CC[C@@H](C)[C@@H]([NH3+])c1c(Br)cnn1CCN(C)C ZINC000159682573 186134962 /nfs/dbraw/zinc/13/49/62/186134962.db2.gz YXVITRKGXAHEEJ-MWLCHTKSSA-N 1 3 303.248 2.253 10 0 DEAEHO CN1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccccc1 ZINC000333523205 539962304 /nfs/dbraw/zinc/96/23/04/539962304.db2.gz GXEQXQMKQKFJQI-BHUNQDJPSA-N 1 3 316.449 2.001 10 0 DEAEHO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCCN(C2CCCC2)CC1 ZINC000262643031 296075385 /nfs/dbraw/zinc/07/53/85/296075385.db2.gz LVTMSQDBDHWQQK-NXHRZFHOSA-N 1 3 319.493 2.384 10 0 DEAEHO c1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)n(-c2ccncc2)n1 ZINC000623729274 365152493 /nfs/dbraw/zinc/15/24/93/365152493.db2.gz WTCRHNHSUQJNRF-KRWDZBQOSA-N 1 3 311.433 2.374 10 0 DEAEHO CCc1nn(C)c(C[C@H](CC[NH+](CC)CC)NC)c1Cl ZINC000091716083 193097504 /nfs/dbraw/zinc/09/75/04/193097504.db2.gz DVIMNURXGNQMPD-LBPRGKRZSA-N 1 3 300.878 2.498 10 0 DEAEHO CCc1nn(C)c(C[C@H](CCN(CC)CC)[NH2+]C)c1Cl ZINC000091716083 193097506 /nfs/dbraw/zinc/09/75/06/193097506.db2.gz DVIMNURXGNQMPD-LBPRGKRZSA-N 1 3 300.878 2.498 10 0 DEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629545114 367243737 /nfs/dbraw/zinc/24/37/37/367243737.db2.gz BNFOGDNERFRVNG-IAAVTCLWSA-N 1 3 314.429 2.399 10 0 DEAEHO CC[NH2+]Cc1cccc(Br)c1OCCN(C)C ZINC000042411691 183265793 /nfs/dbraw/zinc/26/57/93/183265793.db2.gz ZXIQYTSHNFZRIE-UHFFFAOYSA-N 1 3 301.228 2.499 10 0 DEAEHO CCc1nc(N2CC[C@H](N3CCCCC3)C2)sc1C[NH2+]C ZINC000110275743 194318649 /nfs/dbraw/zinc/31/86/49/194318649.db2.gz DYJFLBJPBSITGD-ZDUSSCGKSA-N 1 3 308.495 2.490 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000111132481 194394529 /nfs/dbraw/zinc/39/45/29/194394529.db2.gz CLFUNRXIRHGJBO-GFCCVEGCSA-N 1 3 305.344 2.078 10 0 DEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1cc(Br)cs1 ZINC000111130696 194392837 /nfs/dbraw/zinc/39/28/37/194392837.db2.gz KNRZRCJVHGULTQ-LLVKDONJSA-N 1 3 320.300 2.394 10 0 DEAEHO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCN(C)C ZINC000111129680 194392966 /nfs/dbraw/zinc/39/29/66/194392966.db2.gz LWGGCDXBZLZXDO-SMDDNHRTSA-N 1 3 314.271 2.331 10 0 DEAEHO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCN(C)C ZINC000111129676 194393276 /nfs/dbraw/zinc/39/32/76/194393276.db2.gz LWGGCDXBZLZXDO-RISCZKNCSA-N 1 3 314.271 2.331 10 0 DEAEHO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCN(C)C ZINC000111130452 194393393 /nfs/dbraw/zinc/39/33/93/194393393.db2.gz FEYGCZUKQLZQRY-BXKDBHETSA-N 1 3 320.300 2.392 10 0 DEAEHO C[C@H]([NH3+])Cc1ccc(OCCN(C)C)c(Br)c1 ZINC000062704191 184248800 /nfs/dbraw/zinc/24/88/00/184248800.db2.gz URIMPKUKEUFPDJ-JTQLQIEISA-N 1 3 301.228 2.279 10 0 DEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000066125371 184391034 /nfs/dbraw/zinc/39/10/34/184391034.db2.gz GLIYKLJOZLNCKQ-HNNXBMFYSA-N 1 3 321.465 2.087 10 0 DEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000066125371 184391035 /nfs/dbraw/zinc/39/10/35/184391035.db2.gz GLIYKLJOZLNCKQ-HNNXBMFYSA-N 1 3 321.465 2.087 10 0 DEAEHO CCCN[C@H](C)c1c(Br)cnn1CC[NH+](C)C ZINC000158739608 197298021 /nfs/dbraw/zinc/29/80/21/197298021.db2.gz RTDHXYMSVIZESO-SNVBAGLBSA-N 1 3 303.248 2.268 10 0 DEAEHO CN(C)Cc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000156236611 197097798 /nfs/dbraw/zinc/09/77/98/197097798.db2.gz YJIAQFSDCPVGFK-UHFFFAOYSA-N 1 3 315.461 2.449 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111836885 285231319 /nfs/dbraw/zinc/23/13/19/285231319.db2.gz ONOLCDLGBFVQTQ-QGZVFWFLSA-N 1 3 324.513 2.426 10 0 DEAEHO CCOC(=O)[C@]12CN(C(C)C)C[C@H]1C[N@H+](CC1CC1)CCC2 ZINC000248177654 257107481 /nfs/dbraw/zinc/10/74/81/257107481.db2.gz WOUMJWAEUKKBLZ-SJLPKXTDSA-N 1 3 308.466 2.382 10 0 DEAEHO CCOC(=O)[C@]12CN(C(C)C)C[C@H]1C[N@@H+](CC1CC1)CCC2 ZINC000248177654 257107482 /nfs/dbraw/zinc/10/74/82/257107482.db2.gz WOUMJWAEUKKBLZ-SJLPKXTDSA-N 1 3 308.466 2.382 10 0 DEAEHO C[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121142410 195298332 /nfs/dbraw/zinc/29/83/32/195298332.db2.gz PFFSDSFDNVSXSV-ILXRZTDVSA-N 1 3 312.502 2.087 10 0 DEAEHO C[NH2+]CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261920445 145241882 /nfs/dbraw/zinc/24/18/82/145241882.db2.gz KJFDTZMWVZFLTH-UHFFFAOYSA-N 1 3 305.447 2.031 10 0 DEAEHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000358489463 147144048 /nfs/dbraw/zinc/14/40/48/147144048.db2.gz BVNQTBPSVBHNQR-DLBZAZTESA-N 1 3 324.513 2.234 10 0 DEAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000370763363 148053648 /nfs/dbraw/zinc/05/36/48/148053648.db2.gz JPUHYTYEZTXYNY-SJORKVTESA-N 1 3 303.450 2.142 10 0 DEAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000370763363 148053651 /nfs/dbraw/zinc/05/36/51/148053651.db2.gz JPUHYTYEZTXYNY-SJORKVTESA-N 1 3 303.450 2.142 10 0 DEAEHO O[C@H](CN1CCC(CCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000121801092 402052820 /nfs/dbraw/zinc/05/28/20/402052820.db2.gz QNDRKFISAVEJPP-CQSZACIVSA-N 1 3 308.388 2.498 10 0 DEAEHO C(CN1CCCC[C@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000125166509 402217345 /nfs/dbraw/zinc/21/73/45/402217345.db2.gz NZSSLGBIJTWEMM-SFHVURJKSA-N 1 3 309.498 2.049 10 0 DEAEHO C(CN1CCCCC1)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000125166509 402217346 /nfs/dbraw/zinc/21/73/46/402217346.db2.gz NZSSLGBIJTWEMM-SFHVURJKSA-N 1 3 309.498 2.049 10 0 DEAEHO C(CN1CCCCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000125166509 402217348 /nfs/dbraw/zinc/21/73/48/402217348.db2.gz NZSSLGBIJTWEMM-SFHVURJKSA-N 1 3 309.498 2.049 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000157747078 402298246 /nfs/dbraw/zinc/29/82/46/402298246.db2.gz UCFBEBDQUALVGH-MRXNPFEDSA-N 1 3 324.513 2.282 10 0 DEAEHO Cn1cc(-c2cc(CN3CCC(CC[NH+](C)C)CC3)on2)cn1 ZINC000184986621 402315164 /nfs/dbraw/zinc/31/51/64/402315164.db2.gz JIMINDSWADKGQY-UHFFFAOYSA-N 1 3 317.437 2.239 10 0 DEAEHO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccccc1OCCN(C)C ZINC000236620986 402369034 /nfs/dbraw/zinc/36/90/34/402369034.db2.gz UAXDJVQPZOCSCY-MRXNPFEDSA-N 1 3 321.465 2.072 10 0 DEAEHO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cccc(CN2CCCC2)c1 ZINC000238147484 402439548 /nfs/dbraw/zinc/43/95/48/402439548.db2.gz KWRITRQQVRVBBB-INIZCTEOSA-N 1 3 315.461 2.402 10 0 DEAEHO C[C@H](NCC1(C)OCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000190674735 402617656 /nfs/dbraw/zinc/61/76/56/402617656.db2.gz VESSFGYYVUTLLH-HNNXBMFYSA-N 1 3 322.449 2.431 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000249767637 402641109 /nfs/dbraw/zinc/64/11/09/402641109.db2.gz QJAIYFFWRNMCSF-DLBZAZTESA-N 1 3 324.513 2.280 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000175106233 402779862 /nfs/dbraw/zinc/77/98/62/402779862.db2.gz PBHJAFANJMCARD-RHSMWYFYSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000175106233 402779864 /nfs/dbraw/zinc/77/98/64/402779864.db2.gz PBHJAFANJMCARD-RHSMWYFYSA-N 1 3 303.450 2.303 10 0 DEAEHO C[NH+](C)CCCCCCCNC(=O)N1CCCN(C2CC2)CC1 ZINC000194675280 402809949 /nfs/dbraw/zinc/80/99/49/402809949.db2.gz YSXBVYRQNVEXKB-UHFFFAOYSA-N 1 3 324.513 2.378 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000194150215 402785690 /nfs/dbraw/zinc/78/56/90/402785690.db2.gz MBLUJHDPYHZQKU-QGZVFWFLSA-N 1 3 318.465 2.032 10 0 DEAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309702696 403962142 /nfs/dbraw/zinc/96/21/42/403962142.db2.gz GTJVSIVCGPOZQT-ROUUACIJSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N(C)Cc1ccccc1 ZINC000377571365 404839514 /nfs/dbraw/zinc/83/95/14/404839514.db2.gz KCDZGPRNICMHSE-ZMSDIMECSA-N 1 3 303.450 2.011 10 0 DEAEHO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390717206 405047727 /nfs/dbraw/zinc/04/77/27/405047727.db2.gz CWVWWSXGUPKUIG-QZTJIDSGSA-N 1 3 315.461 2.157 10 0 DEAEHO CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000638081427 406560009 /nfs/dbraw/zinc/56/00/09/406560009.db2.gz YUNHSAUXRIBHSY-DOTOQJQBSA-N 1 3 303.450 2.155 10 0 DEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246696335 287052168 /nfs/dbraw/zinc/05/21/68/287052168.db2.gz XNBIQCSNTROXQL-HZPDHXFCSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246696335 287052171 /nfs/dbraw/zinc/05/21/71/287052171.db2.gz XNBIQCSNTROXQL-HZPDHXFCSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H]([NH3+])Cc1cc(OCCN(C)C)ccc1Br ZINC000129313040 196038215 /nfs/dbraw/zinc/03/82/15/196038215.db2.gz BQNFCTUYWDBBSK-JTQLQIEISA-N 1 3 301.228 2.279 10 0 DEAEHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390775600 424917923 /nfs/dbraw/zinc/91/79/23/424917923.db2.gz MRIDKQYILKLNCK-DOTOQJQBSA-N 1 3 303.450 2.013 10 0 DEAEHO CN(CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425657 424932804 /nfs/dbraw/zinc/93/28/04/424932804.db2.gz KDEWXNXHZAZUDN-MSOLQXFVSA-N 1 3 315.461 2.155 10 0 DEAEHO COC(C)(C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397663278 269106749 /nfs/dbraw/zinc/10/67/49/269106749.db2.gz DWQULHJRWLEBLP-INIZCTEOSA-N 1 3 320.477 2.417 10 0 DEAEHO CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261846867 276382935 /nfs/dbraw/zinc/38/29/35/276382935.db2.gz AWXOGMZQMRMVCR-GVDBMIGSSA-N 1 3 304.434 2.332 10 0 DEAEHO CN(C)CCN(C(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000362786856 289119900 /nfs/dbraw/zinc/11/99/00/289119900.db2.gz WKXRGDLGOIUSIZ-UHFFFAOYSA-N 1 3 309.498 2.441 10 0 DEAEHO CC[NH2+]CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261982335 535460520 /nfs/dbraw/zinc/46/05/20/535460520.db2.gz RLZBLEYAHRBKBC-UHFFFAOYSA-N 1 3 319.474 2.422 10 0 DEAEHO [NH3+][C@H](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379667367 685392403 /nfs/dbraw/zinc/39/24/03/685392403.db2.gz ZJIPUNVGYQBXCB-ZWKOTPCHSA-N 1 3 315.461 2.285 10 0 DEAEHO COC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)OC ZINC000716619997 792978269 /nfs/dbraw/zinc/97/82/69/792978269.db2.gz JYRDRCPQZVGXLK-VJANTYMQSA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@H](CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716619997 792978274 /nfs/dbraw/zinc/97/82/74/792978274.db2.gz JYRDRCPQZVGXLK-VJANTYMQSA-N 1 3 318.461 2.291 10 0 DEAEHO COC[C@H](CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716619997 792978280 /nfs/dbraw/zinc/97/82/80/792978280.db2.gz JYRDRCPQZVGXLK-VJANTYMQSA-N 1 3 318.461 2.291 10 0 DEAEHO C[NH+](C)CCn1ncc(Cl)c1[C@](F)(CN)c1ccccc1 ZINC000164021131 197651998 /nfs/dbraw/zinc/65/19/98/197651998.db2.gz VKDMRMXWLSTRKJ-HNNXBMFYSA-N 1 3 310.804 2.270 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000152424668 282144507 /nfs/dbraw/zinc/14/45/07/282144507.db2.gz DGBKUCGZXZQERV-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000152424668 282144514 /nfs/dbraw/zinc/14/45/14/282144514.db2.gz DGBKUCGZXZQERV-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CN(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000362387896 282170719 /nfs/dbraw/zinc/17/07/19/282170719.db2.gz BZLSUFZQSKXMMT-GOSISDBHSA-N 1 3 317.477 2.007 10 0 DEAEHO NC[C@@]1(Nc2ccc(Br)cc2)CC[N@@H+](C2CC2)C1 ZINC000087914746 185237472 /nfs/dbraw/zinc/23/74/72/185237472.db2.gz TVUVAIAMBXOQQR-AWEZNQCLSA-N 1 3 310.239 2.427 10 0 DEAEHO NC[C@@]1(Nc2ccc(Br)cc2)CC[N@H+](C2CC2)C1 ZINC000087914746 185237473 /nfs/dbraw/zinc/23/74/73/185237473.db2.gz TVUVAIAMBXOQQR-AWEZNQCLSA-N 1 3 310.239 2.427 10 0 DEAEHO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@@H]1CN(C)CCN1C ZINC000149583571 186051137 /nfs/dbraw/zinc/05/11/37/186051137.db2.gz MJRSPINNRPJKBO-LSDHHAIUSA-N 1 3 313.848 2.246 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000172134853 198045245 /nfs/dbraw/zinc/04/52/45/198045245.db2.gz RWWUXDLBINNTJX-WMLDXEAASA-N 1 3 316.449 2.449 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000172134853 198045247 /nfs/dbraw/zinc/04/52/47/198045247.db2.gz RWWUXDLBINNTJX-WMLDXEAASA-N 1 3 316.449 2.449 10 0 DEAEHO C[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755767 539878974 /nfs/dbraw/zinc/87/89/74/539878974.db2.gz WZJJYDHLQQEHKH-MJGOQNOKSA-N 1 3 315.461 2.157 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382727580 540123508 /nfs/dbraw/zinc/12/35/08/540123508.db2.gz WCJZPFPPVDQKOQ-AEFFLSMTSA-N 1 3 317.477 2.483 10 0 DEAEHO C[C@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000182695647 356140702 /nfs/dbraw/zinc/14/07/02/356140702.db2.gz NCVZOYDRTZXAPJ-ZACQAIPSSA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN(C)C ZINC000381879999 356672816 /nfs/dbraw/zinc/67/28/16/356672816.db2.gz OLEMZFRPVIREMT-CABCVRRESA-N 1 3 313.486 2.421 10 0 DEAEHO CN(C)CCOCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000447593600 239034623 /nfs/dbraw/zinc/03/46/23/239034623.db2.gz TXKKEVOHDALHSV-SJLPKXTDSA-N 1 3 306.450 2.322 10 0 DEAEHO CCC[NH2+][C@H]1[C@H](CN(CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429262 193368429 /nfs/dbraw/zinc/36/84/29/193368429.db2.gz ORDQFFAOXYLHLO-GJZGRUSLSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429262 193368431 /nfs/dbraw/zinc/36/84/31/193368431.db2.gz ORDQFFAOXYLHLO-GJZGRUSLSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429262 193368433 /nfs/dbraw/zinc/36/84/33/193368433.db2.gz ORDQFFAOXYLHLO-GJZGRUSLSA-N 1 3 300.487 2.261 10 0 DEAEHO CN1CCCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000020217710 182198148 /nfs/dbraw/zinc/19/81/48/182198148.db2.gz ZEGANCFQYMNZMZ-JTQLQIEISA-N 1 3 318.284 2.148 10 0 DEAEHO CN[C@@H](c1c(Br)cnn1CC[NH+](C)C)C1CCC1 ZINC000159979829 197378111 /nfs/dbraw/zinc/37/81/11/197378111.db2.gz UNOWPCJDGFKFER-GFCCVEGCSA-N 1 3 315.259 2.268 10 0 DEAEHO C[C@@H]([NH3+])Cc1cccc(Br)c1OCCN(C)C ZINC000042412807 183266868 /nfs/dbraw/zinc/26/68/68/183266868.db2.gz BDLXGQVSFLHDGT-SNVBAGLBSA-N 1 3 301.228 2.279 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000105148446 194079500 /nfs/dbraw/zinc/07/95/00/194079500.db2.gz HJIZELSLEVDGPK-HNNXBMFYSA-N 1 3 312.502 2.136 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105148446 194079503 /nfs/dbraw/zinc/07/95/03/194079503.db2.gz HJIZELSLEVDGPK-HNNXBMFYSA-N 1 3 312.502 2.136 10 0 DEAEHO C[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CCN(C)C ZINC000111130496 194393336 /nfs/dbraw/zinc/39/33/36/194393336.db2.gz SHSXFDGHEZGJJV-CABZTGNLSA-N 1 3 320.300 2.392 10 0 DEAEHO CCc1nc(N2CCC(C[NH+]3CCCC3)CC2)sc1CN ZINC000062037838 184203070 /nfs/dbraw/zinc/20/30/70/184203070.db2.gz HDIZLNOFWLCESG-UHFFFAOYSA-N 1 3 308.495 2.476 10 0 DEAEHO CC(C)[C@@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000186928122 207368398 /nfs/dbraw/zinc/36/83/98/207368398.db2.gz VMTGZMMLOZPTIN-NUJGCVRESA-N 1 3 312.498 2.215 10 0 DEAEHO O=C1O[C@@H](CN2CCC(C[NH+]3CCCC3)CC2)CC12CCC2 ZINC000191943633 284960994 /nfs/dbraw/zinc/96/09/94/284960994.db2.gz PPJCYAICJFHAIC-MRXNPFEDSA-N 1 3 306.450 2.280 10 0 DEAEHO Cc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C(N)=S)c(C)n1 ZINC000156700333 197133676 /nfs/dbraw/zinc/13/36/76/197133676.db2.gz YAASRSLNZRQLOQ-AAEUAGOBSA-N 1 3 304.463 2.006 10 0 DEAEHO Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C(N)=S)c(C)n1 ZINC000156700333 197133674 /nfs/dbraw/zinc/13/36/74/197133674.db2.gz YAASRSLNZRQLOQ-AAEUAGOBSA-N 1 3 304.463 2.006 10 0 DEAEHO C[C@H](CCN1CCN(c2nccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000156267321 197100028 /nfs/dbraw/zinc/10/00/28/197100028.db2.gz XHJDWESKVDXGID-HUUCEWRRSA-N 1 3 308.495 2.291 10 0 DEAEHO C[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121142110 195298462 /nfs/dbraw/zinc/29/84/62/195298462.db2.gz PFFSDSFDNVSXSV-QLFBSQMISA-N 1 3 312.502 2.087 10 0 DEAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671545 133194159 /nfs/dbraw/zinc/19/41/59/133194159.db2.gz LHMHLZLIKKJXCC-LPHOPBHVSA-N 1 3 315.461 2.411 10 0 DEAEHO CC(C)[C@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248580046 145159539 /nfs/dbraw/zinc/15/95/39/145159539.db2.gz VMTGZMMLOZPTIN-SOLBZPMBSA-N 1 3 312.498 2.215 10 0 DEAEHO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000248654274 145163440 /nfs/dbraw/zinc/16/34/40/145163440.db2.gz ZJEDPERKRXKVGZ-IAFLDTSXSA-N 1 3 315.461 2.428 10 0 DEAEHO OC1(c2cccnc2)CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248654274 145163442 /nfs/dbraw/zinc/16/34/42/145163442.db2.gz ZJEDPERKRXKVGZ-IAFLDTSXSA-N 1 3 315.461 2.428 10 0 DEAEHO OC1(c2cccnc2)CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248654274 145163444 /nfs/dbraw/zinc/16/34/44/145163444.db2.gz ZJEDPERKRXKVGZ-IAFLDTSXSA-N 1 3 315.461 2.428 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261545472 145206880 /nfs/dbraw/zinc/20/68/80/145206880.db2.gz KBSKPSJORUVOTR-RDJZCZTQSA-N 1 3 303.450 2.155 10 0 DEAEHO N[C@H](CC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000261784426 145225866 /nfs/dbraw/zinc/22/58/66/145225866.db2.gz SWMRGQVAHZDDFG-GOSISDBHSA-N 1 3 311.429 2.107 10 0 DEAEHO CC(C)N(CCN(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119142686 401928756 /nfs/dbraw/zinc/92/87/56/401928756.db2.gz YXSAPAMHVPNNEV-UHFFFAOYSA-N 1 3 312.502 2.088 10 0 DEAEHO CCC(C)(CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000121131619 402017207 /nfs/dbraw/zinc/01/72/07/402017207.db2.gz WERDPKQORQAMQD-UHFFFAOYSA-N 1 3 324.513 2.423 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000101668932 402153745 /nfs/dbraw/zinc/15/37/45/402153745.db2.gz NDCDGKJYQJMSDR-OWCLPIDISA-N 1 3 309.498 2.486 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000154878328 402236994 /nfs/dbraw/zinc/23/69/94/402236994.db2.gz CRTALKUFTSYMPK-RDJZCZTQSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000154878328 402236996 /nfs/dbraw/zinc/23/69/96/402236996.db2.gz CRTALKUFTSYMPK-RDJZCZTQSA-N 1 3 305.466 2.353 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000246570473 402537302 /nfs/dbraw/zinc/53/73/02/402537302.db2.gz YLIPSFHFKLZDPK-BBWFWOEESA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000246570473 402537303 /nfs/dbraw/zinc/53/73/03/402537303.db2.gz YLIPSFHFKLZDPK-BBWFWOEESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H]1C[C@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000179743387 402599497 /nfs/dbraw/zinc/59/94/97/402599497.db2.gz ULZVKVHXZCHWBT-LSDHHAIUSA-N 1 3 318.465 2.449 10 0 DEAEHO C[C@H]1C[C@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000179743387 402599498 /nfs/dbraw/zinc/59/94/98/402599498.db2.gz ULZVKVHXZCHWBT-LSDHHAIUSA-N 1 3 318.465 2.449 10 0 DEAEHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180930819 402630319 /nfs/dbraw/zinc/63/03/19/402630319.db2.gz ZSXVFBKNHAXBGE-MRXNPFEDSA-N 1 3 317.481 2.298 10 0 DEAEHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C12CCCC2 ZINC000181560073 402649849 /nfs/dbraw/zinc/64/98/49/402649849.db2.gz NLKWDPWJJSCQRT-GVDBMIGSSA-N 1 3 310.482 2.161 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000174745691 402755213 /nfs/dbraw/zinc/75/52/13/402755213.db2.gz HCIVTRSFWWNORE-IKGGRYGDSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000174745691 402755214 /nfs/dbraw/zinc/75/52/14/402755214.db2.gz HCIVTRSFWWNORE-IKGGRYGDSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H]([NH3+])CCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000193311921 402770348 /nfs/dbraw/zinc/77/03/48/402770348.db2.gz DUJXDXNASYFUDA-HUUCEWRRSA-N 1 3 303.450 2.456 10 0 DEAEHO CCC[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)OC ZINC000397595397 405058782 /nfs/dbraw/zinc/05/87/82/405058782.db2.gz PDQRCFGWTGKYKB-SFHVURJKSA-N 1 3 320.477 2.418 10 0 DEAEHO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000638079418 406558877 /nfs/dbraw/zinc/55/88/77/406558877.db2.gz DFZLIRBFPMSLQC-SJLPKXTDSA-N 1 3 313.445 2.062 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398030050 424922042 /nfs/dbraw/zinc/92/20/42/424922042.db2.gz GEXGMBFRZXHPBN-BHYGNILZSA-N 1 3 303.450 2.139 10 0 DEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000333902914 269003153 /nfs/dbraw/zinc/00/31/53/269003153.db2.gz JCLNSHVNDXEENV-MELADBBJSA-N 1 3 322.478 2.016 10 0 DEAEHO COCC[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397486153 269106593 /nfs/dbraw/zinc/10/65/93/269106593.db2.gz CCPOIJYLQBKWGJ-MRXNPFEDSA-N 1 3 306.450 2.028 10 0 DEAEHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000261820064 289190275 /nfs/dbraw/zinc/19/02/75/289190275.db2.gz XUJAHPVOXHRSMX-CXAGYDPISA-N 1 3 305.397 2.318 10 0 DEAEHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000713005415 792212740 /nfs/dbraw/zinc/21/27/40/792212740.db2.gz UAXYWJYZMXDZCX-IAGOWNOFSA-N 1 3 317.477 2.387 10 0 DEAEHO COCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623241 792981332 /nfs/dbraw/zinc/98/13/32/792981332.db2.gz YXAKLIFTPGCITK-OTWHNJEPSA-N 1 3 318.461 2.292 10 0 DEAEHO COCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623241 792981333 /nfs/dbraw/zinc/98/13/33/792981333.db2.gz YXAKLIFTPGCITK-OTWHNJEPSA-N 1 3 318.461 2.292 10 0 DEAEHO COCCOCCN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623241 792981336 /nfs/dbraw/zinc/98/13/36/792981336.db2.gz YXAKLIFTPGCITK-OTWHNJEPSA-N 1 3 318.461 2.292 10 0 DEAEHO CNC(=O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716678577 792984557 /nfs/dbraw/zinc/98/45/57/792984557.db2.gz KZRDOCAYADVDES-KSZLIROESA-N 1 3 315.461 2.155 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236911696 202066934 /nfs/dbraw/zinc/06/69/34/202066934.db2.gz KHDMYCQSUSUALX-YVSFHVDLSA-N 1 3 307.482 2.288 10 0 DEAEHO C[NH+](C)[C@H]1CCCN([C@@H](CN)c2cc(F)c(F)c(F)c2)C1 ZINC000091392792 193050632 /nfs/dbraw/zinc/05/06/32/193050632.db2.gz PQIUBEMUSKOWOT-FZMZJTMJSA-N 1 3 301.356 2.130 10 0 DEAEHO COCCNCC1(C[N@H+](C)CC(C)(C)O)CCC(C)CC1 ZINC000092982819 193191624 /nfs/dbraw/zinc/19/16/24/193191624.db2.gz HHMGZPXJMJKUKT-UHFFFAOYSA-N 1 3 300.487 2.122 10 0 DEAEHO COCCNCC1(C[N@@H+](C)CC(C)(C)O)CCC(C)CC1 ZINC000092982819 193191626 /nfs/dbraw/zinc/19/16/26/193191626.db2.gz HHMGZPXJMJKUKT-UHFFFAOYSA-N 1 3 300.487 2.122 10 0 DEAEHO COCC[NH2+]CC1(CN(C)CC(C)(C)O)CCC(C)CC1 ZINC000092982819 193191628 /nfs/dbraw/zinc/19/16/28/193191628.db2.gz HHMGZPXJMJKUKT-UHFFFAOYSA-N 1 3 300.487 2.122 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000111133007 194394229 /nfs/dbraw/zinc/39/42/29/194394229.db2.gz AXGVHQIFNOIGGT-ZDUSSCGKSA-N 1 3 318.234 2.081 10 0 DEAEHO CCCN(CCN(C)C)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711398 184248947 /nfs/dbraw/zinc/24/89/47/184248947.db2.gz OKGXLMXSMQJHBL-AWEZNQCLSA-N 1 3 303.372 2.377 10 0 DEAEHO C[NH+](C)[C@@H]1CCN([C@@H](CN)c2ccc(Br)s2)C1 ZINC000062963995 184263263 /nfs/dbraw/zinc/26/32/63/184263263.db2.gz VYPCYTGKYQZKKB-ZJUUUORDSA-N 1 3 318.284 2.146 10 0 DEAEHO CN[C@@H](c1c(Br)cnn1CC[NH+](C)C)C(C)C ZINC000158690850 197295197 /nfs/dbraw/zinc/29/51/97/197295197.db2.gz NLERBCINYZCTQU-LLVKDONJSA-N 1 3 303.248 2.124 10 0 DEAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000246209713 145094433 /nfs/dbraw/zinc/09/44/33/145094433.db2.gz FTGWSRDQZZSSLS-KSZLIROESA-N 1 3 315.461 2.285 10 0 DEAEHO CC[C@]1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847459 148053454 /nfs/dbraw/zinc/05/34/54/148053454.db2.gz SDLGRHXFWFHVNE-QAPCUYQASA-N 1 3 303.450 2.013 10 0 DEAEHO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000163574136 402452775 /nfs/dbraw/zinc/45/27/75/402452775.db2.gz AMOIGRSVHAMYAK-CRAIPNDOSA-N 1 3 315.461 2.409 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000246355586 402526874 /nfs/dbraw/zinc/52/68/74/402526874.db2.gz PNBCAHWLBVIXRB-NVXWUHKLSA-N 1 3 324.513 2.090 10 0 DEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246406492 402529167 /nfs/dbraw/zinc/52/91/67/402529167.db2.gz LQPBHMDPEGZRNY-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246406492 402529169 /nfs/dbraw/zinc/52/91/69/402529169.db2.gz LQPBHMDPEGZRNY-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnn(C(C)(C)C)c2)CC1 ZINC000179518068 402592845 /nfs/dbraw/zinc/59/28/45/402592845.db2.gz GVHRIISLTPBHSQ-OAHLLOKOSA-N 1 3 322.497 2.163 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000174527236 402745341 /nfs/dbraw/zinc/74/53/41/402745341.db2.gz BVUQGZAQZXJXDB-NVXWUHKLSA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)N1CCCCCC1 ZINC000174537569 402745665 /nfs/dbraw/zinc/74/56/65/402745665.db2.gz FTIQZNFVAWFELQ-XYTVBORESA-N 1 3 307.482 2.382 10 0 DEAEHO C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCCCCC1 ZINC000174537569 402745667 /nfs/dbraw/zinc/74/56/67/402745667.db2.gz FTIQZNFVAWFELQ-XYTVBORESA-N 1 3 307.482 2.382 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000194148435 402785708 /nfs/dbraw/zinc/78/57/08/402785708.db2.gz AJMXIMNFPBYHDT-DLBZAZTESA-N 1 3 324.513 2.282 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000194148435 402785709 /nfs/dbraw/zinc/78/57/09/402785709.db2.gz AJMXIMNFPBYHDT-DLBZAZTESA-N 1 3 324.513 2.282 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638103508 406571963 /nfs/dbraw/zinc/57/19/63/406571963.db2.gz PPPKICJMSOYUNX-FHLIZLRMSA-N 1 3 313.445 2.203 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398039250 424922046 /nfs/dbraw/zinc/92/20/46/424922046.db2.gz KIKGCULHPNHHDW-KBAYOESNSA-N 1 3 317.477 2.387 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CN1Cc1ccccc1 ZINC000398041134 424922078 /nfs/dbraw/zinc/92/20/78/424922078.db2.gz RXWMKVARIUPDDI-UBDQQSCGSA-N 1 3 315.461 2.141 10 0 DEAEHO C[C@@H](CC(N)=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499192839 269303620 /nfs/dbraw/zinc/30/36/20/269303620.db2.gz QNHKSXXYTYAHFG-QSPRXWTASA-N 1 3 301.434 2.036 10 0 DEAEHO C[C@@H](CC(N)=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499192839 269303622 /nfs/dbraw/zinc/30/36/22/269303622.db2.gz QNHKSXXYTYAHFG-QSPRXWTASA-N 1 3 301.434 2.036 10 0 DEAEHO C[NH+](C)CC[C@H](NC(=O)N1CCCN(C2CC2)CC1)C(C)(C)C ZINC000172193208 289181822 /nfs/dbraw/zinc/18/18/22/289181822.db2.gz RNSXMGMZGUGKRU-INIZCTEOSA-N 1 3 324.513 2.233 10 0 DEAEHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248184721 535996219 /nfs/dbraw/zinc/99/62/19/535996219.db2.gz XBRCQGINUHPSIV-ZWKOTPCHSA-N 1 3 315.461 2.305 10 0 DEAEHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248184721 535996221 /nfs/dbraw/zinc/99/62/21/535996221.db2.gz XBRCQGINUHPSIV-ZWKOTPCHSA-N 1 3 315.461 2.305 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[NH2+]C(C)(C)C ZINC000309727735 625326484 /nfs/dbraw/zinc/32/64/84/625326484.db2.gz OABIDIZPULBSGG-HNNXBMFYSA-N 1 3 305.466 2.401 10 0 DEAEHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000261781912 636412837 /nfs/dbraw/zinc/41/28/37/636412837.db2.gz RYENJRUUUNZLPZ-ZACQAIPSSA-N 1 3 317.481 2.346 10 0 DEAEHO [NH3+][C@@H](CC1CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379659455 685392692 /nfs/dbraw/zinc/39/26/92/685392692.db2.gz ARYYMYQGYZXCJF-MSOLQXFVSA-N 1 3 315.461 2.285 10 0 DEAEHO CN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381899183 685402128 /nfs/dbraw/zinc/40/21/28/685402128.db2.gz VOSVTHJSBDRPNN-QGZVFWFLSA-N 1 3 317.477 2.498 10 0 DEAEHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000713005419 792212646 /nfs/dbraw/zinc/21/26/46/792212646.db2.gz UAXYWJYZMXDZCX-SJORKVTESA-N 1 3 317.477 2.387 10 0 DEAEHO OCC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716623245 792981227 /nfs/dbraw/zinc/98/12/27/792981227.db2.gz ZBUJPMXVOVESPY-KQGQHFIGSA-N 1 3 300.446 2.400 10 0 DEAEHO C[C@H](CO)CN1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925125 1086626598 /nfs/dbraw/zinc/62/65/98/1086626598.db2.gz CDVHHFOBTFQKII-WDSOQIARSA-N 1 3 302.462 2.459 10 0 DEAEHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000245944343 539759410 /nfs/dbraw/zinc/75/94/10/539759410.db2.gz VMUMHJQIUIPDJJ-BRWVUGGUSA-N 1 3 312.498 2.407 10 0 DEAEHO CN1CCC(CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000363850652 282690590 /nfs/dbraw/zinc/69/05/90/282690590.db2.gz PZCMOEXZFOZJMC-KRWDZBQOSA-N 1 3 307.482 2.053 10 0 DEAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000073722474 191348235 /nfs/dbraw/zinc/34/82/35/191348235.db2.gz RYJCSUTUQLBDDT-HZPDHXFCSA-N 1 3 312.502 2.088 10 0 DEAEHO C[C@H](CCNC(=O)NCCN1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000181589733 356087596 /nfs/dbraw/zinc/08/75/96/356087596.db2.gz MPTUJLPBZBKFCZ-DLBZAZTESA-N 1 3 324.513 2.425 10 0 DEAEHO OC1(C[NH2+]CC[C@H]2CCOC2)CCN(Cc2ccccc2)CC1 ZINC000400610554 283158184 /nfs/dbraw/zinc/15/81/84/283158184.db2.gz HGOOYZPRZJATDG-SFHVURJKSA-N 1 3 318.461 2.030 10 0 DEAEHO CN(CCC[NH+](C)C)[C@H](CN)c1ccc(Br)s1 ZINC000111131052 194393634 /nfs/dbraw/zinc/39/36/34/194393634.db2.gz HSCGLXMTNNTNTR-SNVBAGLBSA-N 1 3 320.300 2.394 10 0 DEAEHO CN(C)CCN(C)CC[C@@H]([NH3+])c1ccccc1Br ZINC000111146723 194395818 /nfs/dbraw/zinc/39/58/18/194395818.db2.gz WOCJDMKDHVZJCH-CQSZACIVSA-N 1 3 314.271 2.332 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000359667814 133138283 /nfs/dbraw/zinc/13/82/83/133138283.db2.gz PWKAWYKJCMXOSB-IAGOWNOFSA-N 1 3 307.482 2.195 10 0 DEAEHO OC1(c2cccnc2)CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000248654278 145163303 /nfs/dbraw/zinc/16/33/03/145163303.db2.gz ZJEDPERKRXKVGZ-YBXZHIRMSA-N 1 3 315.461 2.428 10 0 DEAEHO OC1(c2cccnc2)CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000248654278 145163304 /nfs/dbraw/zinc/16/33/04/145163304.db2.gz ZJEDPERKRXKVGZ-YBXZHIRMSA-N 1 3 315.461 2.428 10 0 DEAEHO OC1(c2cccnc2)CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248654278 145163305 /nfs/dbraw/zinc/16/33/05/145163305.db2.gz ZJEDPERKRXKVGZ-YBXZHIRMSA-N 1 3 315.461 2.428 10 0 DEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000111841714 401725834 /nfs/dbraw/zinc/72/58/34/401725834.db2.gz NPBCOUPBFCOQNA-CVEARBPZSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000111841714 401725836 /nfs/dbraw/zinc/72/58/36/401725836.db2.gz NPBCOUPBFCOQNA-CVEARBPZSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000111881135 401726759 /nfs/dbraw/zinc/72/67/59/401726759.db2.gz XNBIQCSNTROXQL-CVEARBPZSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000111881135 401726761 /nfs/dbraw/zinc/72/67/61/401726761.db2.gz XNBIQCSNTROXQL-CVEARBPZSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCN2C)c1 ZINC000141299164 401989704 /nfs/dbraw/zinc/98/97/04/401989704.db2.gz PHQROXIBTDLZCA-KRWDZBQOSA-N 1 3 318.465 2.032 10 0 DEAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCN2C)c1 ZINC000141299164 401989707 /nfs/dbraw/zinc/98/97/07/401989707.db2.gz PHQROXIBTDLZCA-KRWDZBQOSA-N 1 3 318.465 2.032 10 0 DEAEHO COCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862859 402209465 /nfs/dbraw/zinc/20/94/65/402209465.db2.gz BLAYBIRTSFWKRN-SFHVURJKSA-N 1 3 306.450 2.010 10 0 DEAEHO COCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862859 402209468 /nfs/dbraw/zinc/20/94/68/402209468.db2.gz BLAYBIRTSFWKRN-SFHVURJKSA-N 1 3 306.450 2.010 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2cccs2)CC[N@@H+]1C ZINC000177057837 402365106 /nfs/dbraw/zinc/36/51/06/402365106.db2.gz CFOIXTTZQHGWTI-ILXRZTDVSA-N 1 3 312.479 2.040 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C[C@H](O)COCc2cccs2)CC[N@H+]1C ZINC000177057837 402365108 /nfs/dbraw/zinc/36/51/08/402365108.db2.gz CFOIXTTZQHGWTI-ILXRZTDVSA-N 1 3 312.479 2.040 10 0 DEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246472355 402532496 /nfs/dbraw/zinc/53/24/96/402532496.db2.gz VLQZBYIEUHHENU-LTIDMASMSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246472355 402532498 /nfs/dbraw/zinc/53/24/98/402532498.db2.gz VLQZBYIEUHHENU-LTIDMASMSA-N 1 3 324.513 2.231 10 0 DEAEHO CCC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000194740288 402813809 /nfs/dbraw/zinc/81/38/09/402813809.db2.gz UJJVTDYUPSEONL-QZTJIDSGSA-N 1 3 317.477 2.355 10 0 DEAEHO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000194740288 402813810 /nfs/dbraw/zinc/81/38/10/402813810.db2.gz UJJVTDYUPSEONL-QZTJIDSGSA-N 1 3 317.477 2.355 10 0 DEAEHO c1sc(C2CC2)nc1CNC1CCC([NH+]2CCNCC2)CC1 ZINC000415054528 404796914 /nfs/dbraw/zinc/79/69/14/404796914.db2.gz NREHFIRUMXEMQG-UHFFFAOYSA-N 1 3 320.506 2.327 10 0 DEAEHO c1sc(C2CC2)nc1CNC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054528 404796917 /nfs/dbraw/zinc/79/69/17/404796917.db2.gz NREHFIRUMXEMQG-UHFFFAOYSA-N 1 3 320.506 2.327 10 0 DEAEHO O[C@@H](CNC1CC(OCc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000493945597 405615099 /nfs/dbraw/zinc/61/50/99/405615099.db2.gz SCUOUKZKJVHYDR-XBMUEBEBSA-N 1 3 318.461 2.171 10 0 DEAEHO c1nc2n(n1)[C@H](CN1CCC(C[NH+]3CCCCCC3)CC1)CC2 ZINC000639451510 406093912 /nfs/dbraw/zinc/09/39/12/406093912.db2.gz QECPAJXAOPPDRT-KRWDZBQOSA-N 1 3 317.481 2.353 10 0 DEAEHO C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000459035113 286861334 /nfs/dbraw/zinc/86/13/34/286861334.db2.gz DGEZZSZBVPMJAH-IRXDYDNUSA-N 1 3 324.513 2.234 10 0 DEAEHO CCC[NH2+][C@H](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)N2C ZINC000129433416 196047345 /nfs/dbraw/zinc/04/73/45/196047345.db2.gz DFGRWIJRKFVPIJ-WTXIUTQJSA-N 1 3 316.511 2.052 10 0 DEAEHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000397587712 269106999 /nfs/dbraw/zinc/10/69/99/269106999.db2.gz KFOZQSKZUWZOEY-NUJGCVRESA-N 1 3 318.461 2.169 10 0 DEAEHO CC1(C)CCCN[C@@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262391998 278220260 /nfs/dbraw/zinc/22/02/60/278220260.db2.gz BJACYPOSTHOTCS-MRXNPFEDSA-N 1 3 307.482 2.099 10 0 DEAEHO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000238008472 279687017 /nfs/dbraw/zinc/68/70/17/279687017.db2.gz YYNKGPPMIRKCQW-SJORKVTESA-N 1 3 307.482 2.228 10 0 DEAEHO CC(C)[C@@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000186928082 280116326 /nfs/dbraw/zinc/11/63/26/280116326.db2.gz VMTGZMMLOZPTIN-JZXOWHBKSA-N 1 3 312.498 2.215 10 0 DEAEHO CNC(=O)C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383351 536300299 /nfs/dbraw/zinc/30/02/99/536300299.db2.gz SMFNWWREVXMGTH-OWLYRPNTSA-N 1 3 315.461 2.296 10 0 DEAEHO CNC(=O)C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383351 536300301 /nfs/dbraw/zinc/30/03/01/536300301.db2.gz SMFNWWREVXMGTH-OWLYRPNTSA-N 1 3 315.461 2.296 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381828618 685402101 /nfs/dbraw/zinc/40/21/01/685402101.db2.gz IAUHGNLFVNYKAL-QXAKKESOSA-N 1 3 320.477 2.273 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000079121829 185159602 /nfs/dbraw/zinc/15/96/02/185159602.db2.gz BQNMHLJOGLIKAL-INIZCTEOSA-N 1 3 314.518 2.381 10 0 DEAEHO CN(C)Cc1ccc2c(c1)[C@H](C[NH3+])N(CCc1nccs1)C2 ZINC000071683842 191006754 /nfs/dbraw/zinc/00/67/54/191006754.db2.gz KNKQGGKCEDKNFC-INIZCTEOSA-N 1 3 316.474 2.263 10 0 DEAEHO C[NH2+][C@@H](C[C@@H]1CN(C)CCN1C)c1ccc(Cl)c(OC)c1 ZINC000149572608 186050883 /nfs/dbraw/zinc/05/08/83/186050883.db2.gz VEPAZTZUGDKJFR-HIFRSBDPSA-N 1 3 311.857 2.245 10 0 DEAEHO CC[NH2+][C@H](Cc1ccc(CC)s1)C[C@H]1CN(C)CCN1C ZINC000149690503 186052244 /nfs/dbraw/zinc/05/22/44/186052244.db2.gz IHSIRDAWDRHFBN-GJZGRUSLSA-N 1 3 309.523 2.467 10 0 DEAEHO CC[C@H](C)[C@H]([NH3+])c1c(Br)cnn1CCN(C)C ZINC000159682446 186135354 /nfs/dbraw/zinc/13/53/54/186135354.db2.gz YXVITRKGXAHEEJ-ONGXEEELSA-N 1 3 303.248 2.253 10 0 DEAEHO CN1CCCN(c2ccc(C(F)(F)F)c(C(N)=[NH2+])c2)CC1 ZINC000164289972 186154963 /nfs/dbraw/zinc/15/49/63/186154963.db2.gz YULCUMJVFYAQTG-UHFFFAOYSA-N 1 3 300.328 2.131 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000172179141 198053095 /nfs/dbraw/zinc/05/30/95/198053095.db2.gz JWLBDBMIPHLSKL-GJZGRUSLSA-N 1 3 312.502 2.136 10 0 DEAEHO CN(C)C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000107899568 355729605 /nfs/dbraw/zinc/72/96/05/355729605.db2.gz NLGMQOQQUDSADN-AWEZNQCLSA-N 1 3 301.356 2.213 10 0 DEAEHO [NH3+]C[C@H]1CC[C@@H](CNCc2ccc(Br)s2)O1 ZINC000087048964 192617842 /nfs/dbraw/zinc/61/78/42/192617842.db2.gz YQVWVXKGYMVTLB-BDAKNGLRSA-N 1 3 305.241 2.107 10 0 DEAEHO NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000152716952 283353535 /nfs/dbraw/zinc/35/35/35/283353535.db2.gz QRAGLSXMNSREHY-GOEBONIOSA-N 1 3 307.482 2.417 10 0 DEAEHO CC[NH+](CC)CC[C@H](N)Cc1c(Br)c(C)nn1C ZINC000091715922 193097459 /nfs/dbraw/zinc/09/74/59/193097459.db2.gz IFNHBUMHLVYWJL-NSHDSACASA-N 1 3 317.275 2.093 10 0 DEAEHO CN(CCOCC[NH3+])CCOc1c(Cl)cccc1Cl ZINC000629575081 367258093 /nfs/dbraw/zinc/25/80/93/367258093.db2.gz LHAFUEBBOWCSGW-UHFFFAOYSA-N 1 3 307.221 2.279 10 0 DEAEHO CCN1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333876 245074825 /nfs/dbraw/zinc/07/48/25/245074825.db2.gz WPDHMXLTVURXCH-CGTJXYLNSA-N 1 3 315.461 2.107 10 0 DEAEHO CCN1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1=O ZINC000453333876 245074829 /nfs/dbraw/zinc/07/48/29/245074829.db2.gz WPDHMXLTVURXCH-CGTJXYLNSA-N 1 3 315.461 2.107 10 0 DEAEHO C[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CCN(C)C ZINC000111130499 194392862 /nfs/dbraw/zinc/39/28/62/194392862.db2.gz SHSXFDGHEZGJJV-SKDRFNHKSA-N 1 3 320.300 2.392 10 0 DEAEHO CN(CCC[NH+](C)C)[C@@H](CN)c1ccccc1OC(F)F ZINC000111133796 194394661 /nfs/dbraw/zinc/39/46/61/194394661.db2.gz SYUPCDVRNUCMGA-ZDUSSCGKSA-N 1 3 301.381 2.171 10 0 DEAEHO CN(C)CCn1ncc(Br)c1[C@H]([NH3+])C1CCCC1 ZINC000158834258 197305683 /nfs/dbraw/zinc/30/56/83/197305683.db2.gz IDZDFXGQFZNVQZ-GFCCVEGCSA-N 1 3 315.259 2.397 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157380087 285230670 /nfs/dbraw/zinc/23/06/70/285230670.db2.gz VOSQCIRWQLUXOM-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000124313257 195627110 /nfs/dbraw/zinc/62/71/10/195627110.db2.gz ADNXLJJYNBYUFV-BKYIEACKSA-N 1 3 309.498 2.484 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246966133 145120779 /nfs/dbraw/zinc/12/07/79/145120779.db2.gz FYBSMNJMKRZHRA-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246966133 145120781 /nfs/dbraw/zinc/12/07/81/145120781.db2.gz FYBSMNJMKRZHRA-IAGOWNOFSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247385025 145135604 /nfs/dbraw/zinc/13/56/04/145135604.db2.gz FWYUCAGXQGRQKQ-NPYXIHBLSA-N 1 3 322.497 2.175 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247385025 145135605 /nfs/dbraw/zinc/13/56/05/145135605.db2.gz FWYUCAGXQGRQKQ-NPYXIHBLSA-N 1 3 322.497 2.175 10 0 DEAEHO O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261805745 145228119 /nfs/dbraw/zinc/22/81/19/145228119.db2.gz HIMKKMUELKYRPX-JKSUJKDBSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261805745 145228122 /nfs/dbraw/zinc/22/81/22/145228122.db2.gz HIMKKMUELKYRPX-JKSUJKDBSA-N 1 3 301.434 2.337 10 0 DEAEHO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261805745 145228124 /nfs/dbraw/zinc/22/81/24/145228124.db2.gz HIMKKMUELKYRPX-JKSUJKDBSA-N 1 3 301.434 2.337 10 0 DEAEHO COc1ccc(CN2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261893524 145238412 /nfs/dbraw/zinc/23/84/12/145238412.db2.gz UHZNTVKMBHUUKM-LJQANCHMSA-N 1 3 317.477 2.203 10 0 DEAEHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922027 145242068 /nfs/dbraw/zinc/24/20/68/145242068.db2.gz IAFGLHVIGCCCRS-KGLIPLIRSA-N 1 3 307.413 2.064 10 0 DEAEHO CCN(C(=O)[C@H](C)C[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262469074 145285956 /nfs/dbraw/zinc/28/59/56/145285956.db2.gz YBAGAEXSJXBNSQ-VYDXJSESSA-N 1 3 303.450 2.265 10 0 DEAEHO C[C@@H](NCCC[NH3+])c1ccc(I)cc1 ZINC000037713732 401916409 /nfs/dbraw/zinc/91/64/09/401916409.db2.gz GYWHQHVXHOLYMX-SECBINFHSA-N 1 3 304.175 2.291 10 0 DEAEHO C[NH2+]C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000237153082 402396707 /nfs/dbraw/zinc/39/67/07/402396707.db2.gz IFYLCEFWOILLBO-UHFFFAOYSA-N 1 3 301.434 2.106 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246196246 402518138 /nfs/dbraw/zinc/51/81/38/402518138.db2.gz MSFWFNDQCVGVDA-ZACQAIPSSA-N 1 3 324.513 2.375 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246196246 402518140 /nfs/dbraw/zinc/51/81/40/402518140.db2.gz MSFWFNDQCVGVDA-ZACQAIPSSA-N 1 3 324.513 2.375 10 0 DEAEHO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000170864781 402535137 /nfs/dbraw/zinc/53/51/37/402535137.db2.gz ZQHVXMGZSCUSRO-KRWDZBQOSA-N 1 3 301.434 2.059 10 0 DEAEHO CN(C)Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171807577 402624102 /nfs/dbraw/zinc/62/41/02/402624102.db2.gz XNMIZGJDUPERRB-INIZCTEOSA-N 1 3 302.422 2.060 10 0 DEAEHO CN(C)Cc1cccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000171807577 402624103 /nfs/dbraw/zinc/62/41/03/402624103.db2.gz XNMIZGJDUPERRB-INIZCTEOSA-N 1 3 302.422 2.060 10 0 DEAEHO C[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561828 402699580 /nfs/dbraw/zinc/69/95/80/402699580.db2.gz XRSQEIDHUBIUHX-UXLLHSPISA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@H](NC(=O)NC[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561828 402699584 /nfs/dbraw/zinc/69/95/84/402699584.db2.gz XRSQEIDHUBIUHX-UXLLHSPISA-N 1 3 322.497 2.033 10 0 DEAEHO CC1CCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000175475276 402809463 /nfs/dbraw/zinc/80/94/63/402809463.db2.gz RLHCZEZBQYXDOO-ALOPSCKCSA-N 1 3 322.497 2.033 10 0 DEAEHO CC1CCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000175475276 402809465 /nfs/dbraw/zinc/80/94/65/402809465.db2.gz RLHCZEZBQYXDOO-ALOPSCKCSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175159286 402784377 /nfs/dbraw/zinc/78/43/77/402784377.db2.gz KAZLWPJOGCMSCX-OAGGEKHMSA-N 1 3 310.486 2.033 10 0 DEAEHO [NH3+]Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000364027878 404290513 /nfs/dbraw/zinc/29/05/13/404290513.db2.gz JZONRSDQVJMNPW-BWTSREIZSA-N 1 3 321.424 2.006 10 0 DEAEHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379659151 405026995 /nfs/dbraw/zinc/02/69/95/405026995.db2.gz YVKHGQHPTBZVPC-KRWDZBQOSA-N 1 3 303.450 2.155 10 0 DEAEHO O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)F ZINC000436287246 405067314 /nfs/dbraw/zinc/06/73/14/405067314.db2.gz ISZJYPQYEDTOMW-FZKCQIBNSA-N 1 3 310.388 2.398 10 0 DEAEHO C[C@H]1CC[N@H+](CCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000525291530 406482705 /nfs/dbraw/zinc/48/27/05/406482705.db2.gz KPEYAJHFLNAAPZ-INIZCTEOSA-N 1 3 315.461 2.354 10 0 DEAEHO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000525291530 406482708 /nfs/dbraw/zinc/48/27/08/406482708.db2.gz KPEYAJHFLNAAPZ-INIZCTEOSA-N 1 3 315.461 2.354 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000638103511 406571624 /nfs/dbraw/zinc/57/16/24/406571624.db2.gz PPPKICJMSOYUNX-ZTFGCOKTSA-N 1 3 313.445 2.203 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388680650 424914224 /nfs/dbraw/zinc/91/42/24/424914224.db2.gz VLHLGCXZUFCPPX-MSOLQXFVSA-N 1 3 317.477 2.483 10 0 DEAEHO CC1(C)CCCN[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262391991 278222536 /nfs/dbraw/zinc/22/25/36/278222536.db2.gz BJACYPOSTHOTCS-INIZCTEOSA-N 1 3 307.482 2.099 10 0 DEAEHO CN(C(=O)[C@@]1(C)CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000393945914 337098872 /nfs/dbraw/zinc/09/88/72/337098872.db2.gz FSILUZHYMNZUIE-LJQANCHMSA-N 1 3 315.461 2.252 10 0 DEAEHO CC(C)N1CCN(CCC[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000191469171 535199662 /nfs/dbraw/zinc/19/96/62/535199662.db2.gz JZAXSNREEMWISV-UHFFFAOYSA-N 1 3 319.497 2.005 10 0 DEAEHO COCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623240 792980312 /nfs/dbraw/zinc/98/03/12/792980312.db2.gz YXAKLIFTPGCITK-FHWLQOOXSA-N 1 3 318.461 2.292 10 0 DEAEHO COCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623240 792980319 /nfs/dbraw/zinc/98/03/19/792980319.db2.gz YXAKLIFTPGCITK-FHWLQOOXSA-N 1 3 318.461 2.292 10 0 DEAEHO COCCOCCN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623240 792980322 /nfs/dbraw/zinc/98/03/22/792980322.db2.gz YXAKLIFTPGCITK-FHWLQOOXSA-N 1 3 318.461 2.292 10 0 DEAEHO CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716734579 793004850 /nfs/dbraw/zinc/00/48/50/793004850.db2.gz WEPXOBXBVZCEEM-DKIMLUQUSA-N 1 3 315.461 2.154 10 0 DEAEHO COC1(OC)CC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000710995319 1086692757 /nfs/dbraw/zinc/69/27/57/1086692757.db2.gz MHXNXDGKDGPPJZ-NJAFHUGGSA-N 1 3 318.461 2.496 10 0 DEAEHO CCCCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000181560304 539652385 /nfs/dbraw/zinc/65/23/85/539652385.db2.gz UAJIMOFGICXXCU-GVDBMIGSSA-N 1 3 312.498 2.407 10 0 DEAEHO CC[NH2+][C@H](Cc1cccc(Cl)c1)C[C@H]1CN(C)CCN1C ZINC000149665973 186051583 /nfs/dbraw/zinc/05/15/83/186051583.db2.gz INYTWMWVZRNVNV-SJORKVTESA-N 1 3 309.885 2.497 10 0 DEAEHO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000303089418 539861106 /nfs/dbraw/zinc/86/11/06/539861106.db2.gz OSCUAAMTCAPRLS-ZWKOTPCHSA-N 1 3 315.461 2.157 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309693233 539878103 /nfs/dbraw/zinc/87/81/03/539878103.db2.gz CITYAIDGDOODMW-SJORKVTESA-N 1 3 303.450 2.093 10 0 DEAEHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179620796 199065961 /nfs/dbraw/zinc/06/59/61/199065961.db2.gz VPICASQSCQVJDY-IAGOWNOFSA-N 1 3 318.465 2.073 10 0 DEAEHO CCc1nn(C)c(C[C@@H](CC[NH+](CC)CC)NC)c1Cl ZINC000091716082 193097176 /nfs/dbraw/zinc/09/71/76/193097176.db2.gz DVIMNURXGNQMPD-GFCCVEGCSA-N 1 3 300.878 2.498 10 0 DEAEHO CCc1nn(C)c(C[C@@H](CCN(CC)CC)[NH2+]C)c1Cl ZINC000091716082 193097177 /nfs/dbraw/zinc/09/71/77/193097177.db2.gz DVIMNURXGNQMPD-GFCCVEGCSA-N 1 3 300.878 2.498 10 0 DEAEHO CCC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000093065231 193199202 /nfs/dbraw/zinc/19/92/02/193199202.db2.gz YLZKWRAGMOSENR-QGZVFWFLSA-N 1 3 318.465 2.145 10 0 DEAEHO CC[NH2+][C@@H]1[C@@H](CN(CCCOC)CCOC)CCC1(C)C ZINC000094317437 193359655 /nfs/dbraw/zinc/35/96/55/193359655.db2.gz VJTSVEOXUXTEPZ-HZPDHXFCSA-N 1 3 300.487 2.386 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000538315125 285031466 /nfs/dbraw/zinc/03/14/66/285031466.db2.gz DPSJNVUGPGBGCY-KRWDZBQOSA-N 1 3 303.450 2.061 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245678800 285285703 /nfs/dbraw/zinc/28/57/03/285285703.db2.gz GESXQMZGPVEJSR-DLBZAZTESA-N 1 3 322.497 2.131 10 0 DEAEHO c1cncc(CN2CC3(C[C@@H]2COCC2CC2)CC[NH2+]CC3)c1 ZINC000096209817 257133143 /nfs/dbraw/zinc/13/31/43/257133143.db2.gz HTJSGGSEPNXATR-GOSISDBHSA-N 1 3 315.461 2.452 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1cc(Br)cs1 ZINC000234793469 132554397 /nfs/dbraw/zinc/55/43/97/132554397.db2.gz IGGWPDQEHRMEJW-JTQLQIEISA-N 1 3 307.257 2.354 10 0 DEAEHO CN1CCC(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000362564039 133238909 /nfs/dbraw/zinc/23/89/09/133238909.db2.gz GMSXBLAHRPNXRK-QGZVFWFLSA-N 1 3 309.498 2.345 10 0 DEAEHO CN1CCC(CC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000362781353 133251180 /nfs/dbraw/zinc/25/11/80/133251180.db2.gz MOWUJNOWCRJVLV-UHFFFAOYSA-N 1 3 309.498 2.491 10 0 DEAEHO C[C@@H]1C[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000247206018 145129151 /nfs/dbraw/zinc/12/91/51/145129151.db2.gz VJOKCVRAONPSSX-MCIONIFRSA-N 1 3 308.857 2.386 10 0 DEAEHO C[C@@H]1C[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000247206018 145129152 /nfs/dbraw/zinc/12/91/52/145129152.db2.gz VJOKCVRAONPSSX-MCIONIFRSA-N 1 3 308.857 2.386 10 0 DEAEHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261679572 145216177 /nfs/dbraw/zinc/21/61/77/145216177.db2.gz AEOQHUSCGDDYPS-IBGZPJMESA-N 1 3 315.461 2.223 10 0 DEAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261868890 145235660 /nfs/dbraw/zinc/23/56/60/145235660.db2.gz XQQUKJDWEHMDID-KZNAEPCWSA-N 1 3 315.461 2.142 10 0 DEAEHO NC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000262650688 145298049 /nfs/dbraw/zinc/29/80/49/145298049.db2.gz QUFABBCTACYHNY-UHFFFAOYSA-N 1 3 301.434 2.170 10 0 DEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262671125 145299337 /nfs/dbraw/zinc/29/93/37/145299337.db2.gz OKUHWZOWCQULCQ-PVAVHDDUSA-N 1 3 315.461 2.456 10 0 DEAEHO C[C@H](CN1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000073665117 401719964 /nfs/dbraw/zinc/71/99/64/401719964.db2.gz HUIRHHZJERWGPV-MGNMYUMUSA-N 1 3 322.497 2.175 10 0 DEAEHO C[C@H](CN1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000073665117 401719965 /nfs/dbraw/zinc/71/99/65/401719965.db2.gz HUIRHHZJERWGPV-MGNMYUMUSA-N 1 3 322.497 2.175 10 0 DEAEHO C[NH+](C)CC1CCC(NC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000137545006 401984633 /nfs/dbraw/zinc/98/46/33/401984633.db2.gz CDDZHOMNSPZAOM-UHFFFAOYSA-N 1 3 322.497 2.033 10 0 DEAEHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000246176510 402515535 /nfs/dbraw/zinc/51/55/35/402515535.db2.gz BQUDBAGSEZVZMP-KURKYZTESA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CN1Cc1ccccc1 ZINC000246245538 402519500 /nfs/dbraw/zinc/51/95/00/402519500.db2.gz JHXVMGJPGKAEQX-UBDQQSCGSA-N 1 3 315.461 2.283 10 0 DEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000170757480 402521158 /nfs/dbraw/zinc/52/11/58/402521158.db2.gz VNEMZNUDEVWKOF-RDJZCZTQSA-N 1 3 320.481 2.319 10 0 DEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000170757480 402521159 /nfs/dbraw/zinc/52/11/59/402521159.db2.gz VNEMZNUDEVWKOF-RDJZCZTQSA-N 1 3 320.481 2.319 10 0 DEAEHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246472384 402532627 /nfs/dbraw/zinc/53/26/27/402532627.db2.gz VLQZBYIEUHHENU-TWMKSMIVSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000246472384 402532631 /nfs/dbraw/zinc/53/26/31/402532631.db2.gz VLQZBYIEUHHENU-TWMKSMIVSA-N 1 3 324.513 2.231 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000249762042 402641299 /nfs/dbraw/zinc/64/12/99/402641299.db2.gz LSVYGVXAGGDCAF-ULQDDVLXSA-N 1 3 324.513 2.138 10 0 DEAEHO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249774241 402641709 /nfs/dbraw/zinc/64/17/09/402641709.db2.gz VOUBRMHTYLJLEH-DLBZAZTESA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249774241 402641711 /nfs/dbraw/zinc/64/17/11/402641711.db2.gz VOUBRMHTYLJLEH-DLBZAZTESA-N 1 3 318.465 2.073 10 0 DEAEHO CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)N(C)C ZINC000182533642 402697734 /nfs/dbraw/zinc/69/77/34/402697734.db2.gz STMGEKXDADZKKP-RDJZCZTQSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000182533642 402697736 /nfs/dbraw/zinc/69/77/36/402697736.db2.gz STMGEKXDADZKKP-RDJZCZTQSA-N 1 3 305.466 2.353 10 0 DEAEHO CC(C)(C)n1cnc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000329746277 404438949 /nfs/dbraw/zinc/43/89/49/404438949.db2.gz RSKYRAPLSKAHLV-AWEZNQCLSA-N 1 3 319.453 2.124 10 0 DEAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379662727 405027649 /nfs/dbraw/zinc/02/76/49/405027649.db2.gz JCNOBANOLZKXQM-JQHSSLGASA-N 1 3 315.461 2.155 10 0 DEAEHO c1cc(N2CCN(CCC[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)ccn1 ZINC000638458840 405481366 /nfs/dbraw/zinc/48/13/66/405481366.db2.gz AKBNKBAELOSRPS-BCDXTJNWSA-N 1 3 314.477 2.229 10 0 DEAEHO CC[C@H](N)C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851755 405715859 /nfs/dbraw/zinc/71/58/59/405715859.db2.gz RQKZHHQPHNPRRN-SJORKVTESA-N 1 3 303.450 2.285 10 0 DEAEHO CC[C@H](N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851755 405715862 /nfs/dbraw/zinc/71/58/62/405715862.db2.gz RQKZHHQPHNPRRN-SJORKVTESA-N 1 3 303.450 2.285 10 0 DEAEHO C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)N(C)Cc1ccccc1 ZINC000407360414 424932591 /nfs/dbraw/zinc/93/25/91/424932591.db2.gz HEJSZZPGMDHDAC-ZTFGCOKTSA-N 1 3 315.461 2.154 10 0 DEAEHO Cn1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC000397513842 269106917 /nfs/dbraw/zinc/10/69/17/269106917.db2.gz QVKIATGQEQIHMU-UHFFFAOYSA-N 1 3 313.445 2.142 10 0 DEAEHO CCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262469068 279009134 /nfs/dbraw/zinc/00/91/34/279009134.db2.gz YBAGAEXSJXBNSQ-BFYDXBDKSA-N 1 3 303.450 2.265 10 0 DEAEHO CC[NH+](CC)CCN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328625394 528119534 /nfs/dbraw/zinc/11/95/34/528119534.db2.gz DDFOPGHSOOOYQO-FUHWJXTLSA-N 1 3 321.513 2.077 10 0 DEAEHO CN(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000262561953 536134606 /nfs/dbraw/zinc/13/46/06/536134606.db2.gz VQMGVXCHSMOKAS-CVEARBPZSA-N 1 3 303.450 2.184 10 0 DEAEHO C[C@H](CN(C(=O)OC(C)(C)C)c1ccc(CN)nc1)[NH+](C)C ZINC000757136035 623090094 /nfs/dbraw/zinc/09/00/94/623090094.db2.gz YHYZNWNOABYIAF-GFCCVEGCSA-N 1 3 308.426 2.232 10 0 DEAEHO CCN(C[C@H](O)C[NH+]1CCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399493 647473637 /nfs/dbraw/zinc/47/36/37/647473637.db2.gz KTPGSOYGSOWMBY-FUHWJXTLSA-N 1 3 320.477 2.405 10 0 DEAEHO O[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716638690 792981935 /nfs/dbraw/zinc/98/19/35/792981935.db2.gz PUYHTDDGTYRZBK-VMXHOPILSA-N 1 3 300.446 2.400 10 0 DEAEHO C[C@@H]([NH3+])Cc1cc(Br)ccc1OCCN(C)C ZINC000037725173 190665283 /nfs/dbraw/zinc/66/52/83/190665283.db2.gz YFSVVURPEKUZJK-SNVBAGLBSA-N 1 3 301.228 2.279 10 0 DEAEHO Cc1ccc([C@H](C[NH3+])N(C)CCN(C)C)c(Br)c1 ZINC000164076618 186148064 /nfs/dbraw/zinc/14/80/64/186148064.db2.gz UBGFEYQJYDDCHW-AWEZNQCLSA-N 1 3 314.271 2.251 10 0 DEAEHO CN(C)CCOCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000447593601 239034208 /nfs/dbraw/zinc/03/42/08/239034208.db2.gz TXKKEVOHDALHSV-WMZOPIPTSA-N 1 3 306.450 2.322 10 0 DEAEHO CN(CC[C@H]1C[NH2+]CCO1)Cc1csc(Br)c1 ZINC000091313904 193037807 /nfs/dbraw/zinc/03/78/07/193037807.db2.gz XCXUFJWSQPVBKB-NSHDSACASA-N 1 3 319.268 2.321 10 0 DEAEHO CC[NH+](CC)CC[C@@H](N)Cc1c(Br)c(C)nn1C ZINC000091715923 193097495 /nfs/dbraw/zinc/09/74/95/193097495.db2.gz IFNHBUMHLVYWJL-LLVKDONJSA-N 1 3 317.275 2.093 10 0 DEAEHO CCC[NH2+]C1CCC(N(C)CCCS(=O)(=O)CC)CC1 ZINC000091870130 193121052 /nfs/dbraw/zinc/12/10/52/193121052.db2.gz SCRYBDNQLDWRSF-UHFFFAOYSA-N 1 3 304.500 2.054 10 0 DEAEHO c1cc(OCCC[N@@H+]2CCC[C@H]3CNCC[C@@H]32)cc2c1OCO2 ZINC000631886511 368441955 /nfs/dbraw/zinc/44/19/55/368441955.db2.gz IGUBFAAKIQMPJT-HOCLYGCPSA-N 1 3 318.417 2.258 10 0 DEAEHO c1cc(OCCC[N@H+]2CCC[C@H]3CNCC[C@@H]32)cc2c1OCO2 ZINC000631886511 368441958 /nfs/dbraw/zinc/44/19/58/368441958.db2.gz IGUBFAAKIQMPJT-HOCLYGCPSA-N 1 3 318.417 2.258 10 0 DEAEHO COc1cc(CN(C)CC2CC[NH+](C)CC2)cc2c1OCCO2 ZINC000093088829 193202148 /nfs/dbraw/zinc/20/21/48/193202148.db2.gz VERNPBDRBGLGER-UHFFFAOYSA-N 1 3 320.433 2.240 10 0 DEAEHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)cc2c1OCCO2 ZINC000093088829 193202150 /nfs/dbraw/zinc/20/21/50/193202150.db2.gz VERNPBDRBGLGER-UHFFFAOYSA-N 1 3 320.433 2.240 10 0 DEAEHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)cc2c1OCCO2 ZINC000093088829 193202152 /nfs/dbraw/zinc/20/21/52/193202152.db2.gz VERNPBDRBGLGER-UHFFFAOYSA-N 1 3 320.433 2.240 10 0 DEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@@H]1c1c(F)cccc1Cl ZINC000093382177 193240666 /nfs/dbraw/zinc/24/06/66/193240666.db2.gz JXWYDXZAIVOYIC-CYBMUJFWSA-N 1 3 312.820 2.492 10 0 DEAEHO CCN[C@]1(CO)CCC[C@@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093783417 193307711 /nfs/dbraw/zinc/30/77/11/193307711.db2.gz WARFXYYHWFUUQR-IAGOWNOFSA-N 1 3 300.487 2.407 10 0 DEAEHO CCN[C@]1(CO)CCC[C@@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093783417 193307712 /nfs/dbraw/zinc/30/77/12/193307712.db2.gz WARFXYYHWFUUQR-IAGOWNOFSA-N 1 3 300.487 2.407 10 0 DEAEHO CN1CC[C@H](C[N@H+](C)Cc2ccc(Br)cc2N)C1 ZINC000094048043 193341868 /nfs/dbraw/zinc/34/18/68/193341868.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 1 3 312.255 2.415 10 0 DEAEHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(Br)cc2N)C1 ZINC000094048043 193341870 /nfs/dbraw/zinc/34/18/70/193341870.db2.gz XAXSUEXHKDMQNP-NSHDSACASA-N 1 3 312.255 2.415 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000458454330 248317567 /nfs/dbraw/zinc/31/75/67/248317567.db2.gz JZHULWAAQAVCJB-KRWDZBQOSA-N 1 3 324.513 2.233 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000111132891 194394725 /nfs/dbraw/zinc/39/47/25/194394725.db2.gz PGFBFESCGMRAHV-CYBMUJFWSA-N 1 3 305.344 2.078 10 0 DEAEHO CCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1CNC1CC1 ZINC000061655611 184180842 /nfs/dbraw/zinc/18/08/42/184180842.db2.gz QNWDSYYEXBEXSK-CYBMUJFWSA-N 1 3 308.495 2.488 10 0 DEAEHO C[NH+](C)C1CCN([C@H](CN)c2cc(F)c(F)c(F)c2)CC1 ZINC000062710085 184248713 /nfs/dbraw/zinc/24/87/13/184248713.db2.gz QVYDTSVQQNYRTP-CQSZACIVSA-N 1 3 301.356 2.130 10 0 DEAEHO CC(C)NCc1c(N2CC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000062967170 184263625 /nfs/dbraw/zinc/26/36/25/184263625.db2.gz UXSGJFFISZOTDH-LBPRGKRZSA-N 1 3 307.467 2.034 10 0 DEAEHO CN(C)CCOc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000544537596 285355600 /nfs/dbraw/zinc/35/56/00/285355600.db2.gz XPMGFWDSMOBMCI-UHFFFAOYSA-N 1 3 322.453 2.042 10 0 DEAEHO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(OCCN(C)C)cc1 ZINC000188076531 533357300 /nfs/dbraw/zinc/35/73/00/533357300.db2.gz ALNNTBZMGDKZCR-OAHLLOKOSA-N 1 3 306.450 2.440 10 0 DEAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671547 133194170 /nfs/dbraw/zinc/19/41/70/133194170.db2.gz LHMHLZLIKKJXCC-VQIMIIECSA-N 1 3 315.461 2.411 10 0 DEAEHO CC(C)[NH2+]CCN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191536035 145060190 /nfs/dbraw/zinc/06/01/90/145060190.db2.gz WQNXNTPDUGZTSL-CALCHBBNSA-N 1 3 311.514 2.196 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261549156 145207277 /nfs/dbraw/zinc/20/72/77/145207277.db2.gz OGTAHBCRDAIHPY-SQNIBIBYSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@]1(CN2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707706 145219010 /nfs/dbraw/zinc/21/90/10/145219010.db2.gz DFRJZWWUPLCBEQ-SFHVURJKSA-N 1 3 305.441 2.333 10 0 DEAEHO OC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000305877604 145348736 /nfs/dbraw/zinc/34/87/36/145348736.db2.gz SBKSOJPCISNBDD-KZNAEPCWSA-N 1 3 300.446 2.402 10 0 DEAEHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763213 148053545 /nfs/dbraw/zinc/05/35/45/148053545.db2.gz HBLJMKFFOJRCMX-KZNAEPCWSA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C ZINC000119097552 401925772 /nfs/dbraw/zinc/92/57/72/401925772.db2.gz JLHPBPRCYZJLEY-VXLLPVPCSA-N 1 3 324.513 2.231 10 0 DEAEHO CCN1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119674628 401962612 /nfs/dbraw/zinc/96/26/12/401962612.db2.gz VWIFHMUHEDWBTC-OFLPRAFFSA-N 1 3 324.513 2.280 10 0 DEAEHO C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N(C)C1CC1 ZINC000107846994 402241827 /nfs/dbraw/zinc/24/18/27/402241827.db2.gz XEONCICDCHSYCI-DOTOQJQBSA-N 1 3 322.497 2.129 10 0 DEAEHO CNC(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000109005051 402266885 /nfs/dbraw/zinc/26/68/85/402266885.db2.gz NNBTZILHADKZQN-UHFFFAOYSA-N 1 3 315.461 2.354 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245429924 402459796 /nfs/dbraw/zinc/45/97/96/402459796.db2.gz ZHIOVCBDXQVXGY-IAGOWNOFSA-N 1 3 324.513 2.377 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245429924 402459798 /nfs/dbraw/zinc/45/97/98/402459798.db2.gz ZHIOVCBDXQVXGY-IAGOWNOFSA-N 1 3 324.513 2.377 10 0 DEAEHO COC[C@@H](C)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000187602204 402506095 /nfs/dbraw/zinc/50/60/95/402506095.db2.gz RNMYYINEJHCFAC-HNNXBMFYSA-N 1 3 306.450 2.015 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246553929 402536604 /nfs/dbraw/zinc/53/66/04/402536604.db2.gz YSTNGUSBCVTXCM-YYIAUSFCSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246553929 402536605 /nfs/dbraw/zinc/53/66/05/402536605.db2.gz YSTNGUSBCVTXCM-YYIAUSFCSA-N 1 3 324.513 2.231 10 0 DEAEHO O[C@@H](Cc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171387130 402583143 /nfs/dbraw/zinc/58/31/43/402583143.db2.gz FDIKWPAVZNWBKX-IBGZPJMESA-N 1 3 302.462 2.398 10 0 DEAEHO CO[C@H](C)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000248406289 402589129 /nfs/dbraw/zinc/58/91/29/402589129.db2.gz BAHSGLPXPZUSRG-VQIMIIECSA-N 1 3 320.477 2.399 10 0 DEAEHO CO[C@H](C)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000248406289 402589131 /nfs/dbraw/zinc/58/91/31/402589131.db2.gz BAHSGLPXPZUSRG-VQIMIIECSA-N 1 3 320.477 2.399 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000248430549 402590391 /nfs/dbraw/zinc/59/03/91/402590391.db2.gz AXLMHIWOZUMYRE-JKSUJKDBSA-N 1 3 310.486 2.034 10 0 DEAEHO COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CC1CC[NH2+]CC1 ZINC000261805678 402717798 /nfs/dbraw/zinc/71/77/98/402717798.db2.gz HIATWQWKUNETJQ-IAGOWNOFSA-N 1 3 308.466 2.430 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000173278402 402690752 /nfs/dbraw/zinc/69/07/52/402690752.db2.gz UTYDXSMHXXUJFT-HIFRSBDPSA-N 1 3 324.513 2.420 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000174164073 402729509 /nfs/dbraw/zinc/72/95/09/402729509.db2.gz GTLVTKAHVFDSOB-GOEBONIOSA-N 1 3 324.513 2.373 10 0 DEAEHO Cn1c2ccc(C[NH2+]C[C@H]3CCCN(C)C3)cc2sc1=O ZINC000192560400 402737026 /nfs/dbraw/zinc/73/70/26/402737026.db2.gz GXLBKDJPBOKNPE-CYBMUJFWSA-N 1 3 305.447 2.031 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C)CCC1 ZINC000175005709 402770849 /nfs/dbraw/zinc/77/08/49/402770849.db2.gz OYDDSPHILNQRGO-MRXNPFEDSA-N 1 3 324.513 2.234 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C)CCC1 ZINC000175005709 402770852 /nfs/dbraw/zinc/77/08/52/402770852.db2.gz OYDDSPHILNQRGO-MRXNPFEDSA-N 1 3 324.513 2.234 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000194740234 402813565 /nfs/dbraw/zinc/81/35/65/402813565.db2.gz UJJVTDYUPSEONL-ROUUACIJSA-N 1 3 317.477 2.355 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000194740234 402813569 /nfs/dbraw/zinc/81/35/69/402813569.db2.gz UJJVTDYUPSEONL-ROUUACIJSA-N 1 3 317.477 2.355 10 0 DEAEHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000184468899 402845582 /nfs/dbraw/zinc/84/55/82/402845582.db2.gz JGYSOZDBWGPERG-INIZCTEOSA-N 1 3 312.502 2.234 10 0 DEAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331885 403726866 /nfs/dbraw/zinc/72/68/66/403726866.db2.gz WIHQMBKWZIVUBD-NYNFEOTOSA-N 1 3 313.445 2.407 10 0 DEAEHO CCNC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000348062504 404026771 /nfs/dbraw/zinc/02/67/71/404026771.db2.gz KLNCWIJMSQVDAL-CCNLRDMRSA-N 1 3 315.461 2.296 10 0 DEAEHO COC1([C@@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CCOCC1 ZINC000453074901 405281316 /nfs/dbraw/zinc/28/13/16/405281316.db2.gz OUOUHWXAZSVBIJ-OAHLLOKOSA-N 1 3 306.450 2.422 10 0 DEAEHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC1CCN(C)CC1 ZINC000452782652 405242197 /nfs/dbraw/zinc/24/21/97/405242197.db2.gz YWCZSTMLNCMJPJ-KRWDZBQOSA-N 1 3 309.498 2.345 10 0 DEAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCC1C[NH2+]C1 ZINC000638118545 406578887 /nfs/dbraw/zinc/57/88/87/406578887.db2.gz AKHSFJKQKXDBTQ-MAUKXSAKSA-N 1 3 315.461 2.013 10 0 DEAEHO C[C@@H]([NH3+])Cc1cc(OCCN(C)C)ccc1Br ZINC000129313278 196038513 /nfs/dbraw/zinc/03/85/13/196038513.db2.gz BQNFCTUYWDBBSK-SNVBAGLBSA-N 1 3 301.228 2.279 10 0 DEAEHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000390777117 424917544 /nfs/dbraw/zinc/91/75/44/424917544.db2.gz OBPKHNKXGSURSA-WBVHZDCISA-N 1 3 303.450 2.142 10 0 DEAEHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000390775607 424917762 /nfs/dbraw/zinc/91/77/62/424917762.db2.gz MRIDKQYILKLNCK-WBVHZDCISA-N 1 3 303.450 2.013 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398030056 424922247 /nfs/dbraw/zinc/92/22/47/424922247.db2.gz GEXGMBFRZXHPBN-HYVNUMGLSA-N 1 3 303.450 2.139 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309593277 424893297 /nfs/dbraw/zinc/89/32/97/424893297.db2.gz PJGAUINUXJEDEE-SJORKVTESA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000174164087 267491173 /nfs/dbraw/zinc/49/11/73/267491173.db2.gz GTLVTKAHVFDSOB-ZBFHGGJFSA-N 1 3 324.513 2.373 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172560962 276166567 /nfs/dbraw/zinc/16/65/67/276166567.db2.gz KINUTIJARRCHCD-MRXNPFEDSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172560962 276166569 /nfs/dbraw/zinc/16/65/69/276166569.db2.gz KINUTIJARRCHCD-MRXNPFEDSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(OCCN(C)C)c1 ZINC000188067242 533831923 /nfs/dbraw/zinc/83/19/23/533831923.db2.gz KDFGBQODABOZRT-HNNXBMFYSA-N 1 3 306.450 2.440 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2CCCN2CC)CC1 ZINC000176296224 535352170 /nfs/dbraw/zinc/35/21/70/535352170.db2.gz WIIXEGYPZANUCG-KRWDZBQOSA-N 1 3 324.513 2.234 10 0 DEAEHO CCN(C[C@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399494 647473660 /nfs/dbraw/zinc/47/36/60/647473660.db2.gz KTPGSOYGSOWMBY-SJLPKXTDSA-N 1 3 320.477 2.405 10 0 DEAEHO C[C@@H](NCc1ncc(Br)s1)C1CC[NH2+]CC1 ZINC000714952805 792374999 /nfs/dbraw/zinc/37/49/99/792374999.db2.gz VSAORCPDAZEECB-MRVPVSSYSA-N 1 3 304.257 2.383 10 0 DEAEHO OCCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716623370 792981308 /nfs/dbraw/zinc/98/13/08/792981308.db2.gz ZWKYYGZAPJUSIS-OTWHNJEPSA-N 1 3 318.461 2.028 10 0 DEAEHO COc1cc(C[NH2+]CC(C)(C)CN(C)C)cc2c1OCCO2 ZINC000060816821 1078877988 /nfs/dbraw/zinc/87/79/88/1078877988.db2.gz ZPMUJBJQSJNRBE-UHFFFAOYSA-N 1 3 308.422 2.144 10 0 DEAEHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000711285769 1087042962 /nfs/dbraw/zinc/04/29/62/1087042962.db2.gz XMSHGROYCKEGQV-IAGOWNOFSA-N 1 3 315.461 2.013 10 0 DEAEHO [NH3+]Cc1ccc([C@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000088417763 185249276 /nfs/dbraw/zinc/24/92/76/185249276.db2.gz PIYDQUASZNARBM-UONOGXRCSA-N 1 3 302.340 2.453 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236770317 202001395 /nfs/dbraw/zinc/00/13/95/202001395.db2.gz RWJIOZAMYPVXNB-QGZVFWFLSA-N 1 3 303.450 2.315 10 0 DEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247284920 283059530 /nfs/dbraw/zinc/05/95/30/283059530.db2.gz KMWDQEHRGAQEDT-IXDOHACOSA-N 1 3 324.513 2.088 10 0 DEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000247284920 283059533 /nfs/dbraw/zinc/05/95/33/283059533.db2.gz KMWDQEHRGAQEDT-IXDOHACOSA-N 1 3 324.513 2.088 10 0 DEAEHO OC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccncc1)CC2 ZINC000169782455 355982775 /nfs/dbraw/zinc/98/27/75/355982775.db2.gz LLGALHSVMASNGU-KRWDZBQOSA-N 1 3 315.461 2.140 10 0 DEAEHO OC[C@@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccncc1)CC2 ZINC000169782455 355982778 /nfs/dbraw/zinc/98/27/78/355982778.db2.gz LLGALHSVMASNGU-KRWDZBQOSA-N 1 3 315.461 2.140 10 0 DEAEHO CCC[NH+](CCC)CCCNC(=O)N[C@@H]1CCCN(CC)C1 ZINC000171239810 356000053 /nfs/dbraw/zinc/00/00/53/356000053.db2.gz MQEHNKXCPORFMP-MRXNPFEDSA-N 1 3 312.502 2.282 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182716022 356141404 /nfs/dbraw/zinc/14/14/04/356141404.db2.gz GMBYEJIPXNDABN-SJORKVTESA-N 1 3 324.513 2.377 10 0 DEAEHO CN(C)CCOCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000447593598 239039806 /nfs/dbraw/zinc/03/98/06/239039806.db2.gz TXKKEVOHDALHSV-AEFFLSMTSA-N 1 3 306.450 2.322 10 0 DEAEHO CC[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)N3C)nc1CC ZINC000092004868 193139133 /nfs/dbraw/zinc/13/91/33/193139133.db2.gz BMKLVQOYYYASNF-OLZOCXBDSA-N 1 3 308.495 2.488 10 0 DEAEHO CCCN[C@]1(CO)CC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093857095 193319588 /nfs/dbraw/zinc/31/95/88/193319588.db2.gz ZYICVWIUZJKNEX-DLBZAZTESA-N 1 3 300.487 2.407 10 0 DEAEHO CCCN[C@]1(CO)CC[C@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093857095 193319590 /nfs/dbraw/zinc/31/95/90/193319590.db2.gz ZYICVWIUZJKNEX-DLBZAZTESA-N 1 3 300.487 2.407 10 0 DEAEHO CCC[NH2+][C@]1(CO)CC[C@H](N(CCOC)C(CC)CC)C1 ZINC000093857095 193319592 /nfs/dbraw/zinc/31/95/92/193319592.db2.gz ZYICVWIUZJKNEX-DLBZAZTESA-N 1 3 300.487 2.407 10 0 DEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1CC[NH2+]CCc1ccsc1 ZINC000094443918 193370094 /nfs/dbraw/zinc/37/00/94/193370094.db2.gz KLPMHJHKRYLICU-NVXWUHKLSA-N 1 3 307.507 2.439 10 0 DEAEHO c1ccc(OCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238418 284383069 /nfs/dbraw/zinc/38/30/69/284383069.db2.gz NKDKFXRUPVQEBM-GOSISDBHSA-N 1 3 304.434 2.156 10 0 DEAEHO CN1CCC(Oc2ccc(C(F)(F)F)cc2C(N)=[NH2+])CC1 ZINC000041019244 183156994 /nfs/dbraw/zinc/15/69/94/183156994.db2.gz OCZPAOAZUHYCNV-UHFFFAOYSA-N 1 3 301.312 2.462 10 0 DEAEHO C[NH+](C)C[C@@H]1CCCN1[C@@H](CN)c1ccc(Br)o1 ZINC000061643113 184180481 /nfs/dbraw/zinc/18/04/81/184180481.db2.gz RCCZCEFTEJIROP-QWRGUYRKSA-N 1 3 316.243 2.068 10 0 DEAEHO Cc1cc(N(CCN(C)C)CC(C)C)c(C(N)=S)c(C)[nH+]1 ZINC000156658685 197130991 /nfs/dbraw/zinc/13/09/91/197130991.db2.gz MXAZLBHNVRBULL-UHFFFAOYSA-N 1 3 308.495 2.357 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000246574396 145106807 /nfs/dbraw/zinc/10/68/07/145106807.db2.gz ZMLZDGBEWVUJJX-ZACQAIPSSA-N 1 3 322.497 2.127 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000246574396 145106810 /nfs/dbraw/zinc/10/68/10/145106810.db2.gz ZMLZDGBEWVUJJX-ZACQAIPSSA-N 1 3 322.497 2.127 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000247473657 145138311 /nfs/dbraw/zinc/13/83/11/145138311.db2.gz RWWUXDLBINNTJX-YOEHRIQHSA-N 1 3 316.449 2.449 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000247473657 145138312 /nfs/dbraw/zinc/13/83/12/145138312.db2.gz RWWUXDLBINNTJX-YOEHRIQHSA-N 1 3 316.449 2.449 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654634 145163348 /nfs/dbraw/zinc/16/33/48/145163348.db2.gz PPNNXKQBQLRZQZ-NXHRZFHOSA-N 1 3 310.482 2.113 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248654634 145163349 /nfs/dbraw/zinc/16/33/49/145163349.db2.gz PPNNXKQBQLRZQZ-NXHRZFHOSA-N 1 3 310.482 2.113 10 0 DEAEHO C[C@@H](CC(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[NH2+]C1 ZINC000261765578 145224126 /nfs/dbraw/zinc/22/41/26/145224126.db2.gz QRCXFSYAPIXXRH-STQMWFEESA-N 1 3 319.424 2.436 10 0 DEAEHO NCc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc(C(F)(F)F)c1 ZINC000261823230 145230255 /nfs/dbraw/zinc/23/02/55/145230255.db2.gz OHPNXPHVHCBPRT-ZWNOBZJWSA-N 1 3 315.339 2.478 10 0 DEAEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261834951 145232061 /nfs/dbraw/zinc/23/20/61/145232061.db2.gz ULJYLKLWMPPUOO-VDHUWJSZSA-N 1 3 315.461 2.313 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000128322688 401771882 /nfs/dbraw/zinc/77/18/82/401771882.db2.gz VANRCMDQGHKDBD-SJORKVTESA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@H](C)C1 ZINC000128322688 401771884 /nfs/dbraw/zinc/77/18/84/401771884.db2.gz VANRCMDQGHKDBD-SJORKVTESA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000052497295 402043130 /nfs/dbraw/zinc/04/31/30/402043130.db2.gz GEQZDNUDEHNVQP-ZDUSSCGKSA-N 1 3 310.486 2.079 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000123245114 402117379 /nfs/dbraw/zinc/11/73/79/402117379.db2.gz YYUSDMJJOANNJV-PBHICJAKSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000123245114 402117382 /nfs/dbraw/zinc/11/73/82/402117382.db2.gz YYUSDMJJOANNJV-PBHICJAKSA-N 1 3 303.450 2.303 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177511309 402411336 /nfs/dbraw/zinc/41/13/36/402411336.db2.gz ZHIOVCBDXQVXGY-SJORKVTESA-N 1 3 324.513 2.377 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177511309 402411339 /nfs/dbraw/zinc/41/13/39/402411339.db2.gz ZHIOVCBDXQVXGY-SJORKVTESA-N 1 3 324.513 2.377 10 0 DEAEHO N[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237872703 402424045 /nfs/dbraw/zinc/42/40/45/402424045.db2.gz RYDJURYTWNZTCM-KRWDZBQOSA-N 1 3 301.434 2.163 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(C)CC1 ZINC000166335473 402483837 /nfs/dbraw/zinc/48/38/37/402483837.db2.gz LQMFWKKWONLZJM-QZWWFDLISA-N 1 3 307.482 2.144 10 0 DEAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246031763 402504177 /nfs/dbraw/zinc/50/41/77/402504177.db2.gz MOSNPQKBXYFNMM-CABCVRRESA-N 1 3 303.454 2.277 10 0 DEAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246031763 402504179 /nfs/dbraw/zinc/50/41/79/402504179.db2.gz MOSNPQKBXYFNMM-CABCVRRESA-N 1 3 303.454 2.277 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247482219 402568993 /nfs/dbraw/zinc/56/89/93/402568993.db2.gz STNDPNAHEWOQOP-YOEHRIQHSA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247482219 402568995 /nfs/dbraw/zinc/56/89/95/402568995.db2.gz STNDPNAHEWOQOP-YOEHRIQHSA-N 1 3 301.434 2.057 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000246385719 402528824 /nfs/dbraw/zinc/52/88/24/402528824.db2.gz OYCDWPUIIJKQBS-IAGOWNOFSA-N 1 3 324.513 2.138 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000246385719 402528826 /nfs/dbraw/zinc/52/88/26/402528826.db2.gz OYCDWPUIIJKQBS-IAGOWNOFSA-N 1 3 324.513 2.138 10 0 DEAEHO CC(C)[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829535 402530419 /nfs/dbraw/zinc/53/04/19/402530419.db2.gz CUPVABOXSIMKQD-SJORKVTESA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246438836 402531294 /nfs/dbraw/zinc/53/12/94/402531294.db2.gz KAZLWPJOGCMSCX-BZUAXINKSA-N 1 3 310.486 2.033 10 0 DEAEHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640112 402714959 /nfs/dbraw/zinc/71/49/59/402714959.db2.gz DUOOHXWMGTZETL-IAOVAPTHSA-N 1 3 309.417 2.180 10 0 DEAEHO CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000173328301 402692725 /nfs/dbraw/zinc/69/27/25/402692725.db2.gz SZLUGOCZOITGJV-HOTGVXAUSA-N 1 3 312.502 2.229 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000193868701 402777027 /nfs/dbraw/zinc/77/70/27/402777027.db2.gz YSIBQJRRQRJERC-HOTGVXAUSA-N 1 3 324.513 2.280 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000193868701 402777030 /nfs/dbraw/zinc/77/70/30/402777030.db2.gz YSIBQJRRQRJERC-HOTGVXAUSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[C@@](C)(C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)OC ZINC000397560615 405058103 /nfs/dbraw/zinc/05/81/03/405058103.db2.gz VZHSMPXSLZGNAW-SFHVURJKSA-N 1 3 320.477 2.418 10 0 DEAEHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000638852529 405715822 /nfs/dbraw/zinc/71/58/22/405715822.db2.gz YCJHKXMOWFHFET-ROUUACIJSA-N 1 3 315.461 2.299 10 0 DEAEHO C(N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635012407 406399429 /nfs/dbraw/zinc/39/94/29/406399429.db2.gz MIVCMFAZIHALBH-XMTFNYHQSA-N 1 3 322.493 2.473 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000246505791 287221455 /nfs/dbraw/zinc/22/14/55/287221455.db2.gz WUUHZXXCNAUQHC-BRWVUGGUSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000246505791 287221459 /nfs/dbraw/zinc/22/14/59/287221459.db2.gz WUUHZXXCNAUQHC-BRWVUGGUSA-N 1 3 322.497 2.129 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398030052 424922661 /nfs/dbraw/zinc/92/26/61/424922661.db2.gz GEXGMBFRZXHPBN-DJIMGWMZSA-N 1 3 303.450 2.139 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398030059 424922881 /nfs/dbraw/zinc/92/28/81/424922881.db2.gz GEXGMBFRZXHPBN-USXIJHARSA-N 1 3 303.450 2.139 10 0 DEAEHO c1ccc(CN2CCCO[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000390619071 269097784 /nfs/dbraw/zinc/09/77/84/269097784.db2.gz YZNGCNAMQAKGEA-RTBURBONSA-N 1 3 317.477 2.009 10 0 DEAEHO CO[C@H](C)[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397495805 269106704 /nfs/dbraw/zinc/10/67/04/269106704.db2.gz PZAWFJSIIIYQCG-JKSUJKDBSA-N 1 3 306.450 2.027 10 0 DEAEHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125293 277151468 /nfs/dbraw/zinc/15/14/68/277151468.db2.gz DLPSQPQGQAEKER-RDJZCZTQSA-N 1 3 324.509 2.407 10 0 DEAEHO CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125293 277151469 /nfs/dbraw/zinc/15/14/69/277151469.db2.gz DLPSQPQGQAEKER-RDJZCZTQSA-N 1 3 324.509 2.407 10 0 DEAEHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246486374 278257526 /nfs/dbraw/zinc/25/75/26/278257526.db2.gz OYWZQCFURGNVJC-HMDCTGQHSA-N 1 3 307.482 2.144 10 0 DEAEHO [NH3+][C@@H](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379667363 685393114 /nfs/dbraw/zinc/39/31/14/685393114.db2.gz ZJIPUNVGYQBXCB-MSOLQXFVSA-N 1 3 315.461 2.285 10 0 DEAEHO COC[C@H](O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716620181 792978355 /nfs/dbraw/zinc/97/83/55/792978355.db2.gz LNHVSFNVXGAUHL-ZSYWTGECSA-N 1 3 318.461 2.027 10 0 DEAEHO C[N@H+](Cc1cccc(Br)c1)C[C@@]1(C)COC[C@@H]1N ZINC000090606696 185306312 /nfs/dbraw/zinc/30/63/12/185306312.db2.gz DVEKDOFQFMFVNF-KBPBESRZSA-N 1 3 313.239 2.245 10 0 DEAEHO C[N@@H+](Cc1cccc(Br)c1)C[C@@]1(C)COC[C@@H]1N ZINC000090606696 185306313 /nfs/dbraw/zinc/30/63/13/185306313.db2.gz DVEKDOFQFMFVNF-KBPBESRZSA-N 1 3 313.239 2.245 10 0 DEAEHO COc1cccc2c1CN(CCCC[NH+]1CCCC1)[C@H]2CN ZINC000071683151 191006983 /nfs/dbraw/zinc/00/69/83/191006983.db2.gz NFLKEVMRGHNJLH-KRWDZBQOSA-N 1 3 303.450 2.387 10 0 DEAEHO C[NH2+][C@@H](Cc1ccc(F)cc1Cl)C[C@H]1CN(C)CCN1C ZINC000149583982 186050706 /nfs/dbraw/zinc/05/07/06/186050706.db2.gz MJRSPINNRPJKBO-GJZGRUSLSA-N 1 3 313.848 2.246 10 0 DEAEHO Cc1ccc(CN(CCN(C)C)C(=O)c2ccc(C[NH3+])cc2)o1 ZINC000237151601 202168455 /nfs/dbraw/zinc/16/84/55/202168455.db2.gz BDKHKQDAEPPFQS-UHFFFAOYSA-N 1 3 315.417 2.251 10 0 DEAEHO CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC000094634616 193386254 /nfs/dbraw/zinc/38/62/54/193386254.db2.gz WPUZWSJQDOBVKI-JKSUJKDBSA-N 1 3 316.511 2.326 10 0 DEAEHO CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC000094634616 193386256 /nfs/dbraw/zinc/38/62/56/193386256.db2.gz WPUZWSJQDOBVKI-JKSUJKDBSA-N 1 3 316.511 2.326 10 0 DEAEHO CCC[NH2+][C@H]1[C@H](CN(CCC)CCO)C(C)(C)OC1(C)C ZINC000094428443 193368540 /nfs/dbraw/zinc/36/85/40/193368540.db2.gz KDRUVYKKDIOFLY-GJZGRUSLSA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@H]1[C@H](C[N@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428443 193368541 /nfs/dbraw/zinc/36/85/41/193368541.db2.gz KDRUVYKKDIOFLY-GJZGRUSLSA-N 1 3 300.487 2.263 10 0 DEAEHO CCCN[C@H]1[C@H](C[N@@H+](CCC)CCO)C(C)(C)OC1(C)C ZINC000094428443 193368543 /nfs/dbraw/zinc/36/85/43/193368543.db2.gz KDRUVYKKDIOFLY-GJZGRUSLSA-N 1 3 300.487 2.263 10 0 DEAEHO CCN[C@H]1[C@@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429312 193368850 /nfs/dbraw/zinc/36/88/50/193368850.db2.gz GZKJEUZPRHVULS-CABCVRRESA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@H]1[C@@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429312 193368852 /nfs/dbraw/zinc/36/88/52/193368852.db2.gz GZKJEUZPRHVULS-CABCVRRESA-N 1 3 300.487 2.261 10 0 DEAEHO CC[NH2+][C@H]1[C@@H](CN(CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429312 193368853 /nfs/dbraw/zinc/36/88/53/193368853.db2.gz GZKJEUZPRHVULS-CABCVRRESA-N 1 3 300.487 2.261 10 0 DEAEHO C[N@H+](Cc1ccc(Br)cc1)[C@H](CN)[C@@H]1CCOC1 ZINC000042439860 183270598 /nfs/dbraw/zinc/27/05/98/183270598.db2.gz BPCLSKSWEGCODE-TZMCWYRMSA-N 1 3 313.239 2.245 10 0 DEAEHO C[N@@H+](Cc1ccc(Br)cc1)[C@H](CN)[C@@H]1CCOC1 ZINC000042439860 183270601 /nfs/dbraw/zinc/27/06/01/183270601.db2.gz BPCLSKSWEGCODE-TZMCWYRMSA-N 1 3 313.239 2.245 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104773247 194037374 /nfs/dbraw/zinc/03/73/74/194037374.db2.gz RJIADYCLNIBHPZ-OAHLLOKOSA-N 1 3 310.486 2.034 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104773247 194037376 /nfs/dbraw/zinc/03/73/76/194037376.db2.gz RJIADYCLNIBHPZ-OAHLLOKOSA-N 1 3 310.486 2.034 10 0 DEAEHO CCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1CNC1CC1 ZINC000061655612 184180871 /nfs/dbraw/zinc/18/08/71/184180871.db2.gz QNWDSYYEXBEXSK-ZDUSSCGKSA-N 1 3 308.495 2.488 10 0 DEAEHO CC(C)OC1CC([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000189542082 145029688 /nfs/dbraw/zinc/02/96/88/145029688.db2.gz CAOKWUHRNZTFBF-UHFFFAOYSA-N 1 3 323.525 2.482 10 0 DEAEHO Cn1c2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2sc1=O ZINC000192469840 145073644 /nfs/dbraw/zinc/07/36/44/145073644.db2.gz JDHOTYCDDPTBQA-CYBMUJFWSA-N 1 3 317.458 2.174 10 0 DEAEHO Cc1c[nH+]ccc1N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000192572349 145075281 /nfs/dbraw/zinc/07/52/81/145075281.db2.gz QTAFKBBRTRFMTN-UHFFFAOYSA-N 1 3 311.433 2.173 10 0 DEAEHO O[C@H](COc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193078814 145082606 /nfs/dbraw/zinc/08/26/06/145082606.db2.gz UUJPHFDRIYOUFF-SFHVURJKSA-N 1 3 318.461 2.234 10 0 DEAEHO CCN(Cc1ccccc1)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000261560064 145207446 /nfs/dbraw/zinc/20/74/46/145207446.db2.gz ZMCGROGEGUBCRC-HNNXBMFYSA-N 1 3 303.450 2.094 10 0 DEAEHO CC(C)(C)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)s1 ZINC000262071675 145259032 /nfs/dbraw/zinc/25/90/32/145259032.db2.gz GCIHINIQRYRSCX-CYBMUJFWSA-N 1 3 323.506 2.333 10 0 DEAEHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000358489465 147143681 /nfs/dbraw/zinc/14/36/81/147143681.db2.gz BVNQTBPSVBHNQR-IRXDYDNUSA-N 1 3 324.513 2.234 10 0 DEAEHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000370763669 148053791 /nfs/dbraw/zinc/05/37/91/148053791.db2.gz NPVAWLWUNCAOQL-MSOLQXFVSA-N 1 3 315.461 2.014 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000052524661 402043855 /nfs/dbraw/zinc/04/38/55/402043855.db2.gz QJAIYFFWRNMCSF-SJORKVTESA-N 1 3 324.513 2.280 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)NCC2(C[NH+](C)C)CCCC2)CCN1C ZINC000185187975 402332043 /nfs/dbraw/zinc/33/20/43/402332043.db2.gz KQJGEEVUOICQQM-HZPDHXFCSA-N 1 3 324.513 2.233 10 0 DEAEHO CN(C)Cc1cccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186527052 402439307 /nfs/dbraw/zinc/43/93/07/402439307.db2.gz QGDXSZGUJHKAAV-INIZCTEOSA-N 1 3 301.434 2.105 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245878215 402493821 /nfs/dbraw/zinc/49/38/21/402493821.db2.gz AVANSJHXFFACOW-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245878215 402493823 /nfs/dbraw/zinc/49/38/23/402493823.db2.gz AVANSJHXFFACOW-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](C)COC)CC1 ZINC000187676049 402507750 /nfs/dbraw/zinc/50/77/50/402507750.db2.gz QYODDIXBHIIDOC-KRWDZBQOSA-N 1 3 319.493 2.196 10 0 DEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)CC(C)C ZINC000170828196 402530389 /nfs/dbraw/zinc/53/03/89/402530389.db2.gz IVFLQVHJXZOGOO-HZPDHXFCSA-N 1 3 312.502 2.088 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000246522768 402535577 /nfs/dbraw/zinc/53/55/77/402535577.db2.gz VANRCMDQGHKDBD-IRXDYDNUSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000246522768 402535579 /nfs/dbraw/zinc/53/55/79/402535579.db2.gz VANRCMDQGHKDBD-IRXDYDNUSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248452620 402591291 /nfs/dbraw/zinc/59/12/91/402591291.db2.gz GMBYEJIPXNDABN-IRXDYDNUSA-N 1 3 324.513 2.377 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249762901 402641333 /nfs/dbraw/zinc/64/13/33/402641333.db2.gz YSIBQJRRQRJERC-CVEARBPZSA-N 1 3 324.513 2.280 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249762901 402641336 /nfs/dbraw/zinc/64/13/36/402641336.db2.gz YSIBQJRRQRJERC-CVEARBPZSA-N 1 3 324.513 2.280 10 0 DEAEHO Cc1nc(C)c(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000172792032 402676018 /nfs/dbraw/zinc/67/60/18/402676018.db2.gz KRAGRJQDOZAALR-LBPRGKRZSA-N 1 3 311.495 2.285 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174173069 402730206 /nfs/dbraw/zinc/73/02/06/402730206.db2.gz KBXXQQSCSUMIOK-DLBZAZTESA-N 1 3 324.513 2.090 10 0 DEAEHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000246176568 292253684 /nfs/dbraw/zinc/25/36/84/292253684.db2.gz BRHNFOUDQBQBRH-KURKYZTESA-N 1 3 315.461 2.376 10 0 DEAEHO c1cc(CN2CCC(C[NH2+]CCC[C@@H]3CCO3)CC2)ccn1 ZINC000639311310 406037829 /nfs/dbraw/zinc/03/78/29/406037829.db2.gz LDOHRLFHBWEKPP-GOSISDBHSA-N 1 3 303.450 2.452 10 0 DEAEHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423011554 230315934 /nfs/dbraw/zinc/31/59/34/230315934.db2.gz JEZOFRWNSFVBKC-ZACQAIPSSA-N 1 3 300.450 2.407 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398039253 424922105 /nfs/dbraw/zinc/92/21/05/424922105.db2.gz KIKGCULHPNHHDW-NXHRZFHOSA-N 1 3 317.477 2.387 10 0 DEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000397688509 269106858 /nfs/dbraw/zinc/10/68/58/269106858.db2.gz OYHNDDMIPQSXKX-SJLPKXTDSA-N 1 3 318.461 2.028 10 0 DEAEHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125294 277151355 /nfs/dbraw/zinc/15/13/55/277151355.db2.gz DLPSQPQGQAEKER-WBVHZDCISA-N 1 3 324.509 2.407 10 0 DEAEHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000367125294 277151359 /nfs/dbraw/zinc/15/13/59/277151359.db2.gz DLPSQPQGQAEKER-WBVHZDCISA-N 1 3 324.509 2.407 10 0 DEAEHO CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261846872 535512586 /nfs/dbraw/zinc/51/25/86/535512586.db2.gz AWXOGMZQMRMVCR-ZACQAIPSSA-N 1 3 304.434 2.332 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC000358300016 535527433 /nfs/dbraw/zinc/52/74/33/535527433.db2.gz NFXJECUFCKCNFP-DAYGRLMNSA-N 1 3 322.497 2.376 10 0 DEAEHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097175 635539496 /nfs/dbraw/zinc/53/94/96/635539496.db2.gz DDOKMLFWCSBJKV-BRSBDYLESA-N 1 3 321.440 2.180 10 0 DEAEHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@H]1C(C)C ZINC000888097175 635539523 /nfs/dbraw/zinc/53/95/23/635539523.db2.gz DDOKMLFWCSBJKV-BRSBDYLESA-N 1 3 321.440 2.180 10 0 DEAEHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543562 792477171 /nfs/dbraw/zinc/47/71/71/792477171.db2.gz PZSCRMFBKWPSCZ-LSDHHAIUSA-N 1 3 311.470 2.316 10 0 DEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCCN2C)C1 ZINC000195128717 282368976 /nfs/dbraw/zinc/36/89/76/282368976.db2.gz SVVHUMOWWAKMEJ-ZACQAIPSSA-N 1 3 324.513 2.138 10 0 DEAEHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCCC2)C1(CC)CC ZINC000181559383 539651920 /nfs/dbraw/zinc/65/19/20/539651920.db2.gz VMUMHJQIUIPDJJ-GVDBMIGSSA-N 1 3 312.498 2.407 10 0 DEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)CC(C)C ZINC000170828187 197831284 /nfs/dbraw/zinc/83/12/84/197831284.db2.gz IVFLQVHJXZOGOO-HOTGVXAUSA-N 1 3 312.502 2.088 10 0 DEAEHO CC(C)OCCCN1Cc2ccc(CN(C)C)cc2[C@@H]1C[NH3+] ZINC000071683828 191006841 /nfs/dbraw/zinc/00/68/41/191006841.db2.gz KEOJOCLXVZPUDG-SFHVURJKSA-N 1 3 305.466 2.379 10 0 DEAEHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000237921525 539751300 /nfs/dbraw/zinc/75/13/00/539751300.db2.gz FHQLZJSURXNQOM-OKZBNKHCSA-N 1 3 315.461 2.285 10 0 DEAEHO CC[NH2+][C@H](Cc1cccc(Cl)c1)C[C@@H]1CN(C)CCN1C ZINC000149665563 186051820 /nfs/dbraw/zinc/05/18/20/186051820.db2.gz INYTWMWVZRNVNV-IAGOWNOFSA-N 1 3 309.885 2.497 10 0 DEAEHO C[C@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000182695605 356140746 /nfs/dbraw/zinc/14/07/46/356140746.db2.gz NCVZOYDRTZXAPJ-BRWVUGGUSA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@H](NC[C@H](O)COC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661818 356209323 /nfs/dbraw/zinc/20/93/23/356209323.db2.gz JFKNBGKIDGOUHU-ZOBUZTSGSA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H](NC[C@H](O)COC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661818 356209326 /nfs/dbraw/zinc/20/93/26/356209326.db2.gz JFKNBGKIDGOUHU-ZOBUZTSGSA-N 1 3 312.498 2.405 10 0 DEAEHO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000185661818 356209328 /nfs/dbraw/zinc/20/93/28/356209328.db2.gz JFKNBGKIDGOUHU-ZOBUZTSGSA-N 1 3 312.498 2.405 10 0 DEAEHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629545117 367243378 /nfs/dbraw/zinc/24/33/78/367243378.db2.gz BNFOGDNERFRVNG-IWKCEXAMSA-N 1 3 314.429 2.399 10 0 DEAEHO CCC[NH2+][C@@H]1[C@@H](CN(C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430075 193368492 /nfs/dbraw/zinc/36/84/92/193368492.db2.gz JXNUJKVLOXHSGV-ZIAGYGMSSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430075 193368494 /nfs/dbraw/zinc/36/84/94/193368494.db2.gz JXNUJKVLOXHSGV-ZIAGYGMSSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430075 193368496 /nfs/dbraw/zinc/36/84/96/193368496.db2.gz JXNUJKVLOXHSGV-ZIAGYGMSSA-N 1 3 300.487 2.261 10 0 DEAEHO CN[C@H]1[C@@H](C[N@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428310 193369141 /nfs/dbraw/zinc/36/91/41/193369141.db2.gz GIMXRTRFTNLNGU-CABCVRRESA-N 1 3 300.487 2.382 10 0 DEAEHO CN[C@H]1[C@@H](C[N@@H+](CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428310 193369142 /nfs/dbraw/zinc/36/91/42/193369142.db2.gz GIMXRTRFTNLNGU-CABCVRRESA-N 1 3 300.487 2.382 10 0 DEAEHO C[NH2+][C@H]1[C@@H](CN(CCOC)CC(C)C)C(C)(C)OC1(C)C ZINC000094428310 193369145 /nfs/dbraw/zinc/36/91/45/193369145.db2.gz GIMXRTRFTNLNGU-CABCVRRESA-N 1 3 300.487 2.382 10 0 DEAEHO CNCc1cc(Br)ccc1OCCC[NH+](C)C ZINC000019777050 182147798 /nfs/dbraw/zinc/14/77/98/182147798.db2.gz HYWRLFTWBRTFAR-UHFFFAOYSA-N 1 3 301.228 2.499 10 0 DEAEHO CN(C)CCn1ncc(Br)c1[C@H]([NH3+])C1CCC1 ZINC000159976744 197377784 /nfs/dbraw/zinc/37/77/84/197377784.db2.gz WMXJYOKKAFEBAF-LLVKDONJSA-N 1 3 301.232 2.007 10 0 DEAEHO CC[C@@H](O)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106386580 194205672 /nfs/dbraw/zinc/20/56/72/194205672.db2.gz BGWHMOJPYJAPDJ-MOPGFXCFSA-N 1 3 320.477 2.135 10 0 DEAEHO CC[C@@H](O)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106386580 194205675 /nfs/dbraw/zinc/20/56/75/194205675.db2.gz BGWHMOJPYJAPDJ-MOPGFXCFSA-N 1 3 320.477 2.135 10 0 DEAEHO C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCN(C)C ZINC000111130445 194393133 /nfs/dbraw/zinc/39/31/33/194393133.db2.gz FEYGCZUKQLZQRY-CABZTGNLSA-N 1 3 320.300 2.392 10 0 DEAEHO CCNCc1c(N2CCC[C@H]2C[NH+](C)C)nc2sccn12 ZINC000061645981 184180931 /nfs/dbraw/zinc/18/09/31/184180931.db2.gz ZJOBELZHQLHUHD-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO C[NH+](C)C1CCN([C@@H](CN)c2cc(F)c(F)c(F)c2)CC1 ZINC000062710083 184248805 /nfs/dbraw/zinc/24/88/05/184248805.db2.gz QVYDTSVQQNYRTP-AWEZNQCLSA-N 1 3 301.356 2.130 10 0 DEAEHO c1cc2c(cc1CN1CCS[C@H]3COCC[C@H]31)C[NH2+]CC2 ZINC000564803598 292111799 /nfs/dbraw/zinc/11/17/99/292111799.db2.gz KGJPRVOUIBQCSX-SJORKVTESA-N 1 3 304.459 2.039 10 0 DEAEHO N[C@@H](CC(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000261664526 145215161 /nfs/dbraw/zinc/21/51/61/145215161.db2.gz OHRXHNSJNWYSPN-VFORCBIJSA-N 1 3 301.434 2.099 10 0 DEAEHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263189829 145334332 /nfs/dbraw/zinc/33/43/32/145334332.db2.gz HSEPDZNCROWEGO-DSLXNQLJSA-N 1 3 318.461 2.280 10 0 DEAEHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000112448559 401745652 /nfs/dbraw/zinc/74/56/52/401745652.db2.gz LPUQHRFWOKAZKG-CQSZACIVSA-N 1 3 324.513 2.279 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000078682351 401861921 /nfs/dbraw/zinc/86/19/21/401861921.db2.gz BYTQVNJQUSXGQW-HNNXBMFYSA-N 1 3 320.481 2.278 10 0 DEAEHO CC[C@H]1CCCCN1CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177511325 402411179 /nfs/dbraw/zinc/41/11/79/402411179.db2.gz ZHIOVCBDXQVXGY-IRXDYDNUSA-N 1 3 324.513 2.377 10 0 DEAEHO CC[C@H]1CCCCN1CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177511325 402411180 /nfs/dbraw/zinc/41/11/80/402411180.db2.gz ZHIOVCBDXQVXGY-IRXDYDNUSA-N 1 3 324.513 2.377 10 0 DEAEHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000237071533 402393741 /nfs/dbraw/zinc/39/37/41/402393741.db2.gz KCLWWBRVBNKHEL-BZSNNMDCSA-N 1 3 315.461 2.285 10 0 DEAEHO CC[C@H](O)C[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246950241 402551108 /nfs/dbraw/zinc/55/11/08/402551108.db2.gz BGWHMOJPYJAPDJ-RBUKOAKNSA-N 1 3 320.477 2.135 10 0 DEAEHO CC[C@H](O)C[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000246950241 402551111 /nfs/dbraw/zinc/55/11/11/402551111.db2.gz BGWHMOJPYJAPDJ-RBUKOAKNSA-N 1 3 320.477 2.135 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246341726 402525975 /nfs/dbraw/zinc/52/59/75/402525975.db2.gz OVLLSFJPSVARLE-ARFHVFGLSA-N 1 3 312.502 2.087 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246341726 402525977 /nfs/dbraw/zinc/52/59/77/402525977.db2.gz OVLLSFJPSVARLE-ARFHVFGLSA-N 1 3 312.502 2.087 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCCN1CC ZINC000246485664 402533303 /nfs/dbraw/zinc/53/33/03/402533303.db2.gz VZBFWJTWFZYXCJ-IKGGRYGDSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCCN1CC ZINC000246485664 402533306 /nfs/dbraw/zinc/53/33/06/402533306.db2.gz VZBFWJTWFZYXCJ-IKGGRYGDSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000174174130 402729983 /nfs/dbraw/zinc/72/99/83/402729983.db2.gz GYBVFXJIWMRNNF-IKGGRYGDSA-N 1 3 324.513 2.233 10 0 DEAEHO c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588257 404115820 /nfs/dbraw/zinc/11/58/20/404115820.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588257 404115821 /nfs/dbraw/zinc/11/58/21/404115821.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000337588257 404115822 /nfs/dbraw/zinc/11/58/22/404115822.db2.gz LXBSKBOZEKNDTA-SJORKVTESA-N 1 3 300.450 2.267 10 0 DEAEHO CC[C@@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851752 405715501 /nfs/dbraw/zinc/71/55/01/405715501.db2.gz RQKZHHQPHNPRRN-DLBZAZTESA-N 1 3 303.450 2.285 10 0 DEAEHO CC[C@@H](N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851752 405715504 /nfs/dbraw/zinc/71/55/04/405715504.db2.gz RQKZHHQPHNPRRN-DLBZAZTESA-N 1 3 303.450 2.285 10 0 DEAEHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000638852530 405715703 /nfs/dbraw/zinc/71/57/03/405715703.db2.gz YCJHKXMOWFHFET-ZWKOTPCHSA-N 1 3 315.461 2.299 10 0 DEAEHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852531 405715889 /nfs/dbraw/zinc/71/58/89/405715889.db2.gz YCYNIYOTFCVOAY-AEFFLSMTSA-N 1 3 317.477 2.403 10 0 DEAEHO CC(C)(C)OCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700763 406232260 /nfs/dbraw/zinc/23/22/60/406232260.db2.gz FHULQIFVPSWCAK-GOSISDBHSA-N 1 3 306.450 2.028 10 0 DEAEHO CC(C)(C)OCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700763 406232266 /nfs/dbraw/zinc/23/22/66/406232266.db2.gz FHULQIFVPSWCAK-GOSISDBHSA-N 1 3 306.450 2.028 10 0 DEAEHO CC[NH2+][C@@H](CCCS(=O)(=O)CC)C1C[C@H]2CC[C@@H](C1)N2C ZINC000129316670 196038061 /nfs/dbraw/zinc/03/80/61/196038061.db2.gz UCECBOMGCNKDSE-UYTSQGDYSA-N 1 3 316.511 2.052 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390715919 424917370 /nfs/dbraw/zinc/91/73/70/424917370.db2.gz CLTGBNYEXIIQLW-RCCFBDPRSA-N 1 3 315.461 2.142 10 0 DEAEHO CCC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)N(C)C ZINC000161802792 278855748 /nfs/dbraw/zinc/85/57/48/278855748.db2.gz SEGLHAHQSXSERL-DLBZAZTESA-N 1 3 305.466 2.444 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000248866403 524828492 /nfs/dbraw/zinc/82/84/92/524828492.db2.gz NIFICXTZUIWNCR-JKSUJKDBSA-N 1 3 303.450 2.237 10 0 DEAEHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000232500871 635930027 /nfs/dbraw/zinc/93/00/27/635930027.db2.gz QAKCTPJXOUDRGP-GDBMZVCRSA-N 1 3 323.481 2.460 10 0 DEAEHO OC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716653601 792984255 /nfs/dbraw/zinc/98/42/55/792984255.db2.gz ZBUJPMXVOVESPY-QTMHVTGLSA-N 1 3 300.446 2.400 10 0 DEAEHO CN(C(=O)CC[NH2+]CC1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000717153329 799256454 /nfs/dbraw/zinc/25/64/54/799256454.db2.gz YEISCLFJVOUVOG-SFHVURJKSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@H](CO)CN1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925128 1086626683 /nfs/dbraw/zinc/62/66/83/1086626683.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 1 3 302.462 2.459 10 0 DEAEHO C[C@H](CO)CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705925128 1086626686 /nfs/dbraw/zinc/62/66/86/1086626686.db2.gz CDVHHFOBTFQKII-YTQUADARSA-N 1 3 302.462 2.459 10 0 DEAEHO C[C@H](CO)CN1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705925123 1086626870 /nfs/dbraw/zinc/62/68/70/1086626870.db2.gz CDVHHFOBTFQKII-QXAKKESOSA-N 1 3 302.462 2.459 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000079121832 185159668 /nfs/dbraw/zinc/15/96/68/185159668.db2.gz BQNMHLJOGLIKAL-MRXNPFEDSA-N 1 3 314.518 2.381 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000309730800 539878216 /nfs/dbraw/zinc/87/82/16/539878216.db2.gz OZRONCHGRXLOMA-WBVHZDCISA-N 1 3 303.450 2.013 10 0 DEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccccc1 ZINC000333551958 539963419 /nfs/dbraw/zinc/96/34/19/539963419.db2.gz KIEYWMRMYUZQIE-YVSFHVDLSA-N 1 3 316.449 2.001 10 0 DEAEHO CCCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182830760 356147856 /nfs/dbraw/zinc/14/78/56/356147856.db2.gz VDJCQYIHZJPOCQ-CVEARBPZSA-N 1 3 316.511 2.054 10 0 DEAEHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2COCCO2)C3)cc1 ZINC000447534304 239004779 /nfs/dbraw/zinc/00/47/79/239004779.db2.gz WFJRLBZNCHFVCW-FCGDIQPGSA-N 1 3 316.445 2.187 10 0 DEAEHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2COCCO2)C3)cc1 ZINC000447534304 239004787 /nfs/dbraw/zinc/00/47/87/239004787.db2.gz WFJRLBZNCHFVCW-FCGDIQPGSA-N 1 3 316.445 2.187 10 0 DEAEHO CCC[NH2+]CC1CCN([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644248 193389775 /nfs/dbraw/zinc/38/97/75/193389775.db2.gz SMARNZWVVMWLNM-JKSUJKDBSA-N 1 3 316.511 2.054 10 0 DEAEHO CCC[NH2+][C@H]1[C@@H](CN(C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430076 193368986 /nfs/dbraw/zinc/36/89/86/193368986.db2.gz JXNUJKVLOXHSGV-KGLIPLIRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430076 193368988 /nfs/dbraw/zinc/36/89/88/193368988.db2.gz JXNUJKVLOXHSGV-KGLIPLIRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430076 193368990 /nfs/dbraw/zinc/36/89/90/193368990.db2.gz JXNUJKVLOXHSGV-KGLIPLIRSA-N 1 3 300.487 2.261 10 0 DEAEHO CCc1nc(N2CC[C@@H](N3CCCCC3)C2)sc1C[NH2+]C ZINC000110275746 194318615 /nfs/dbraw/zinc/31/86/15/194318615.db2.gz DYJFLBJPBSITGD-CYBMUJFWSA-N 1 3 308.495 2.490 10 0 DEAEHO CN(C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192453188 145074035 /nfs/dbraw/zinc/07/40/35/145074035.db2.gz XHWGDZSZZNXSMX-UHFFFAOYSA-N 1 3 307.463 2.277 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948790 145120020 /nfs/dbraw/zinc/12/00/20/145120020.db2.gz SAMNBPSGXXPMLY-XYTVBORESA-N 1 3 322.497 2.175 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246948790 145120022 /nfs/dbraw/zinc/12/00/22/145120022.db2.gz SAMNBPSGXXPMLY-XYTVBORESA-N 1 3 322.497 2.175 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000253356495 145202095 /nfs/dbraw/zinc/20/20/95/145202095.db2.gz RMILIKDLGRYCSL-ROUUACIJSA-N 1 3 315.461 2.109 10 0 DEAEHO CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000253356495 145202096 /nfs/dbraw/zinc/20/20/96/145202096.db2.gz RMILIKDLGRYCSL-ROUUACIJSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](N)c1ccccc1 ZINC000261881985 145236789 /nfs/dbraw/zinc/23/67/89/145236789.db2.gz UJCJKDFJKPSCEF-JDACHINLSA-N 1 3 301.434 2.064 10 0 DEAEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000359283116 147298674 /nfs/dbraw/zinc/29/86/74/147298674.db2.gz YBPPHWOQHBVRNH-KRWDZBQOSA-N 1 3 309.498 2.443 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000115815249 401837704 /nfs/dbraw/zinc/83/77/04/401837704.db2.gz SBVJIOZQEGJRHI-KRWDZBQOSA-N 1 3 324.513 2.092 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1sccc1Br ZINC000234797432 402361038 /nfs/dbraw/zinc/36/10/38/402361038.db2.gz FBBNUYKZQQVNPE-VIFPVBQESA-N 1 3 307.257 2.354 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1cc(Br)cs1 ZINC000234729385 402361143 /nfs/dbraw/zinc/36/11/43/402361143.db2.gz IGGWPDQEHRMEJW-SNVBAGLBSA-N 1 3 307.257 2.354 10 0 DEAEHO O=C(CNC1CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000238161501 402439652 /nfs/dbraw/zinc/43/96/52/402439652.db2.gz QFGPODJONSFDGJ-AYHJJNSGSA-N 1 3 313.445 2.050 10 0 DEAEHO O=C(CNC1CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000238161501 402439655 /nfs/dbraw/zinc/43/96/55/402439655.db2.gz QFGPODJONSFDGJ-AYHJJNSGSA-N 1 3 313.445 2.050 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245707946 402481601 /nfs/dbraw/zinc/48/16/01/402481601.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245707946 402481603 /nfs/dbraw/zinc/48/16/03/402481603.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCCN(CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000245707946 402481605 /nfs/dbraw/zinc/48/16/05/402481605.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCCN(CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245707946 402481607 /nfs/dbraw/zinc/48/16/07/402481607.db2.gz YWKJFKVVJPPIER-IAGOWNOFSA-N 1 3 305.470 2.091 10 0 DEAEHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178304884 402482345 /nfs/dbraw/zinc/48/23/45/402482345.db2.gz YTUHVZFATBMZEQ-SQWLQELKSA-N 1 3 306.454 2.349 10 0 DEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246406420 402529501 /nfs/dbraw/zinc/52/95/01/402529501.db2.gz LQPBHMDPEGZRNY-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246406420 402529502 /nfs/dbraw/zinc/52/95/02/402529502.db2.gz LQPBHMDPEGZRNY-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000173395650 402696172 /nfs/dbraw/zinc/69/61/72/402696172.db2.gz KNCKRNWPPUGNEL-HZPDHXFCSA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183730683 402792871 /nfs/dbraw/zinc/79/28/71/402792871.db2.gz HQQKKJJKUFXMMA-INIZCTEOSA-N 1 3 324.513 2.282 10 0 DEAEHO CN1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccccc1 ZINC000333559165 403780231 /nfs/dbraw/zinc/78/02/31/403780231.db2.gz KPHOOXOTIZNUHT-WCXIOVBPSA-N 1 3 316.449 2.001 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000309692963 403961581 /nfs/dbraw/zinc/96/15/81/403961581.db2.gz DJTIEQWJMRGRBX-DLBZAZTESA-N 1 3 317.477 2.403 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000309692975 403962095 /nfs/dbraw/zinc/96/20/95/403962095.db2.gz DJTIEQWJMRGRBX-IRXDYDNUSA-N 1 3 317.477 2.403 10 0 DEAEHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852534 405715785 /nfs/dbraw/zinc/71/57/85/405715785.db2.gz YCYNIYOTFCVOAY-WMZOPIPTSA-N 1 3 317.477 2.403 10 0 DEAEHO O=C1CC[C@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)CCN1 ZINC000450347665 405848742 /nfs/dbraw/zinc/84/87/42/405848742.db2.gz IPTLPQXRFPRNSO-ZWKOTPCHSA-N 1 3 321.509 2.491 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000134015539 196353113 /nfs/dbraw/zinc/35/31/13/196353113.db2.gz MONFZPMXMJLONG-QGZVFWFLSA-N 1 3 322.497 2.033 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000134015539 196353114 /nfs/dbraw/zinc/35/31/14/196353114.db2.gz MONFZPMXMJLONG-QGZVFWFLSA-N 1 3 322.497 2.033 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000390700834 424917581 /nfs/dbraw/zinc/91/75/81/424917581.db2.gz CQFPQIJDQFJXOE-ZWKOTPCHSA-N 1 3 317.477 2.388 10 0 DEAEHO CC(=O)[C@](C)(O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450494470 277100320 /nfs/dbraw/zinc/10/03/20/277100320.db2.gz MAQOLAFSNRQDSE-CRAIPNDOSA-N 1 3 310.482 2.303 10 0 DEAEHO CC(=O)[C@](C)(O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494470 277100321 /nfs/dbraw/zinc/10/03/21/277100321.db2.gz MAQOLAFSNRQDSE-CRAIPNDOSA-N 1 3 310.482 2.303 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136979158 279125629 /nfs/dbraw/zinc/12/56/29/279125629.db2.gz BKWAJRGGNLISKM-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136979158 279125630 /nfs/dbraw/zinc/12/56/30/279125630.db2.gz BKWAJRGGNLISKM-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@]1(CN2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261707701 279158982 /nfs/dbraw/zinc/15/89/82/279158982.db2.gz DFRJZWWUPLCBEQ-GOSISDBHSA-N 1 3 305.441 2.333 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246966154 279325782 /nfs/dbraw/zinc/32/57/82/279325782.db2.gz FYBSMNJMKRZHRA-SJORKVTESA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246966154 279325784 /nfs/dbraw/zinc/32/57/84/279325784.db2.gz FYBSMNJMKRZHRA-SJORKVTESA-N 1 3 324.513 2.090 10 0 DEAEHO CC1(C)OCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397710770 337281915 /nfs/dbraw/zinc/28/19/15/337281915.db2.gz YTJVFGFUVFYJAK-KRWDZBQOSA-N 1 3 318.461 2.171 10 0 DEAEHO C[NH+](C)CCCN(C(=O)OC(C)(C)C)c1ccc(CN)nc1 ZINC000757134251 623052187 /nfs/dbraw/zinc/05/21/87/623052187.db2.gz NCZQOMVNMHZMCQ-UHFFFAOYSA-N 1 3 308.426 2.234 10 0 DEAEHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543559 792476581 /nfs/dbraw/zinc/47/65/81/792476581.db2.gz PZSCRMFBKWPSCZ-CABCVRRESA-N 1 3 311.470 2.316 10 0 DEAEHO CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@H]1CN(C)CCN1C ZINC000149684724 186052537 /nfs/dbraw/zinc/05/25/37/186052537.db2.gz ASTUJZHLYYNLOS-HOTGVXAUSA-N 1 3 309.885 2.497 10 0 DEAEHO CC[C@@]1(C(=O)c2c(Cl)cnn2CCN(C)C)CCC[NH2+]C1 ZINC000164236436 186153070 /nfs/dbraw/zinc/15/30/70/186153070.db2.gz GDUFBGQKUYHBSG-OAHLLOKOSA-N 1 3 312.845 2.061 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694001 357346769 /nfs/dbraw/zinc/34/67/69/357346769.db2.gz FYVGVRKSMPYNNH-INIZCTEOSA-N 1 3 320.481 2.120 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)[nH]c1C ZINC000585694001 357346770 /nfs/dbraw/zinc/34/67/70/357346770.db2.gz FYVGVRKSMPYNNH-INIZCTEOSA-N 1 3 320.481 2.120 10 0 DEAEHO C[NH+](C)[C@H]1CCCN([C@@H](CN)c2ccc(Br)o2)C1 ZINC000091392537 193050772 /nfs/dbraw/zinc/05/07/72/193050772.db2.gz QLBLSRSAPNLIPK-QWRGUYRKSA-N 1 3 316.243 2.068 10 0 DEAEHO CCCN(CC(=O)Nc1nc(C)cs1)C1CCC([NH3+])CC1 ZINC000091852537 193117680 /nfs/dbraw/zinc/11/76/80/193117680.db2.gz GYYSAWIKHCROPL-UHFFFAOYSA-N 1 3 310.467 2.372 10 0 DEAEHO C[NH2+]CCOCCN(C)Cc1ccc(Br)c(C)c1 ZINC000629654954 367289518 /nfs/dbraw/zinc/28/95/18/367289518.db2.gz UREJTFIBOTVERJ-UHFFFAOYSA-N 1 3 315.255 2.425 10 0 DEAEHO CC[NH+](CC)CCOc1nc(C(F)(F)F)ccc1C(=N)N ZINC000094336854 193361329 /nfs/dbraw/zinc/36/13/29/193361329.db2.gz LRIQKMMLSASLOS-UHFFFAOYSA-N 1 3 304.316 2.105 10 0 DEAEHO CN(C)Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000104405454 194005414 /nfs/dbraw/zinc/00/54/14/194005414.db2.gz WMWRVYDBTPDANG-UHFFFAOYSA-N 1 3 315.461 2.449 10 0 DEAEHO CC[NH2+]Cc1sc(N2CC[C@H](N3CCCC3)C2)nc1CC ZINC000110275668 194318675 /nfs/dbraw/zinc/31/86/75/194318675.db2.gz PFVUGWWFTZPHGF-ZDUSSCGKSA-N 1 3 308.495 2.490 10 0 DEAEHO CC[NH2+]Cc1c(N2CCN(C)[C@@H](CC)C2)nc2sccn12 ZINC000110730698 194354907 /nfs/dbraw/zinc/35/49/07/194354907.db2.gz RCHCWMOPCNYQTE-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO CC(C)CCCOC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071503 184204320 /nfs/dbraw/zinc/20/43/20/184204320.db2.gz DEGVAZHVRNOIAA-SJORKVTESA-N 1 3 300.487 2.122 10 0 DEAEHO CC(C)CCCOC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071503 184204322 /nfs/dbraw/zinc/20/43/22/184204322.db2.gz DEGVAZHVRNOIAA-SJORKVTESA-N 1 3 300.487 2.122 10 0 DEAEHO C[NH+](C)[C@@H]1CCN([C@@H](CN)c2ccccc2Br)C1 ZINC000062964025 184262790 /nfs/dbraw/zinc/26/27/90/184262790.db2.gz RMGGHAGXSUZBHP-RISCZKNCSA-N 1 3 312.255 2.085 10 0 DEAEHO Cc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)n1 ZINC000156676423 197132137 /nfs/dbraw/zinc/13/21/37/197132137.db2.gz XETNKIHGQJBAIB-CYBMUJFWSA-N 1 3 304.463 2.007 10 0 DEAEHO Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)c(C(N)=S)c(C)n1 ZINC000156676423 197132138 /nfs/dbraw/zinc/13/21/38/197132138.db2.gz XETNKIHGQJBAIB-CYBMUJFWSA-N 1 3 304.463 2.007 10 0 DEAEHO O[C@@H](COc1ccccc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193078801 145082563 /nfs/dbraw/zinc/08/25/63/145082563.db2.gz UUJPHFDRIYOUFF-GOSISDBHSA-N 1 3 318.461 2.234 10 0 DEAEHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000261922022 145241769 /nfs/dbraw/zinc/24/17/69/145241769.db2.gz IAFGLHVIGCCCRS-KBPBESRZSA-N 1 3 307.413 2.064 10 0 DEAEHO COc1cc(CN2CCC3(C2)CC[NH2+]CC3)cc2c1OCCO2 ZINC000262019308 145253761 /nfs/dbraw/zinc/25/37/61/145253761.db2.gz NBRPGANIBCTBOJ-UHFFFAOYSA-N 1 3 318.417 2.042 10 0 DEAEHO CCCc1ccc([C@@H](C)N(CC(N)=O)CC2CC[NH2+]CC2)cc1 ZINC000262116396 145263099 /nfs/dbraw/zinc/26/30/99/145263099.db2.gz BMRDMZZMYYXGEW-OAHLLOKOSA-N 1 3 317.477 2.487 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000078434394 401850955 /nfs/dbraw/zinc/85/09/55/401850955.db2.gz XNKSYCJXBCXYTD-DOTOQJQBSA-N 1 3 320.481 2.319 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000078682353 401861935 /nfs/dbraw/zinc/86/19/35/401861935.db2.gz BYTQVNJQUSXGQW-OAHLLOKOSA-N 1 3 320.481 2.278 10 0 DEAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170833479 402531028 /nfs/dbraw/zinc/53/10/28/402531028.db2.gz KYFGSLWHQRDITR-OAGGEKHMSA-N 1 3 324.513 2.088 10 0 DEAEHO CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246579777 402537104 /nfs/dbraw/zinc/53/71/04/402537104.db2.gz ZSKYIBXCPBFJDN-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248489736 402593365 /nfs/dbraw/zinc/59/33/65/402593365.db2.gz NCVZOYDRTZXAPJ-BBWFWOEESA-N 1 3 324.513 2.375 10 0 DEAEHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000173669357 402707659 /nfs/dbraw/zinc/70/76/59/402707659.db2.gz UFCPMOALFPLLQL-RDJZCZTQSA-N 1 3 324.513 2.231 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174195294 402731083 /nfs/dbraw/zinc/73/10/83/402731083.db2.gz PCZCJBJUAGXXIH-INIZCTEOSA-N 1 3 312.502 2.279 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000309692969 403962288 /nfs/dbraw/zinc/96/22/88/403962288.db2.gz DJTIEQWJMRGRBX-IAGOWNOFSA-N 1 3 317.477 2.403 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323581683 404092713 /nfs/dbraw/zinc/09/27/13/404092713.db2.gz ZCGVUNLSMMWWRT-QGZVFWFLSA-N 1 3 303.450 2.094 10 0 DEAEHO c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588254 404116110 /nfs/dbraw/zinc/11/61/10/404116110.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000337588254 404116113 /nfs/dbraw/zinc/11/61/13/404116113.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 1 3 300.450 2.267 10 0 DEAEHO c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000337588254 404116117 /nfs/dbraw/zinc/11/61/17/404116117.db2.gz LXBSKBOZEKNDTA-IRXDYDNUSA-N 1 3 300.450 2.267 10 0 DEAEHO c1ncn(-c2ccc(C[NH2+]C3CC(N4CCCCC4)C3)cc2)n1 ZINC000369542455 404134881 /nfs/dbraw/zinc/13/48/81/404134881.db2.gz TYNNFZFYENZGIT-UHFFFAOYSA-N 1 3 311.433 2.374 10 0 DEAEHO C[NH+](C)CCOC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435134037 404958316 /nfs/dbraw/zinc/95/83/16/404958316.db2.gz FHQMHEJFZXFXSZ-UHFFFAOYSA-N 1 3 318.421 2.212 10 0 DEAEHO [NH3+]CCCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379653950 405028125 /nfs/dbraw/zinc/02/81/25/405028125.db2.gz HFHZUYHJYMKNAM-KRWDZBQOSA-N 1 3 303.450 2.286 10 0 DEAEHO C[C@@H]1CC(O)C[C@H](C)N1C/C=C/C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191159268 287230833 /nfs/dbraw/zinc/23/08/33/287230833.db2.gz DVVAKBYCUZLMPB-HLMPETLESA-N 1 3 310.482 2.010 10 0 DEAEHO C[C@@H]1CC(O)C[C@H](C)N1C/C=C/C[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191159268 287230834 /nfs/dbraw/zinc/23/08/34/287230834.db2.gz DVVAKBYCUZLMPB-HLMPETLESA-N 1 3 310.482 2.010 10 0 DEAEHO COCCC[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397611541 269106459 /nfs/dbraw/zinc/10/64/59/269106459.db2.gz ZXFGUCGOOVVHGA-KRWDZBQOSA-N 1 3 320.477 2.418 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172560957 276374720 /nfs/dbraw/zinc/37/47/20/276374720.db2.gz KINUTIJARRCHCD-INIZCTEOSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172560957 276374722 /nfs/dbraw/zinc/37/47/22/276374722.db2.gz KINUTIJARRCHCD-INIZCTEOSA-N 1 3 322.497 2.131 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000103613465 519842290 /nfs/dbraw/zinc/84/22/90/519842290.db2.gz FDJBFKIADNFQSX-UHFFFAOYSA-N 1 3 324.513 2.092 10 0 DEAEHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000246486414 524612945 /nfs/dbraw/zinc/61/29/45/524612945.db2.gz OYWZQCFURGNVJC-XAJHFOFHSA-N 1 3 307.482 2.144 10 0 DEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000261781910 636413043 /nfs/dbraw/zinc/41/30/43/636413043.db2.gz RYENJRUUUNZLPZ-IKGGRYGDSA-N 1 3 317.481 2.346 10 0 DEAEHO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)n1 ZINC000379700229 685393543 /nfs/dbraw/zinc/39/35/43/685393543.db2.gz RPMZUMKUEYJVJI-GOEBONIOSA-N 1 3 311.433 2.084 10 0 DEAEHO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N)n1 ZINC000379700229 685393548 /nfs/dbraw/zinc/39/35/48/685393548.db2.gz RPMZUMKUEYJVJI-GOEBONIOSA-N 1 3 311.433 2.084 10 0 DEAEHO C[C@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000710973816 1086692576 /nfs/dbraw/zinc/69/25/76/1086692576.db2.gz RYNKAZYXCNROLY-CQSZACIVSA-N 1 3 311.470 2.175 10 0 DEAEHO CCN[C@@H]1COC[C@@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000090495465 185299032 /nfs/dbraw/zinc/29/90/32/185299032.db2.gz YFZRVLWQFOVJJH-JOYOIKCWSA-N 1 3 319.268 2.225 10 0 DEAEHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCN1C)[NH+]1CCCCCC1 ZINC000195125215 282369381 /nfs/dbraw/zinc/36/93/81/282369381.db2.gz FOSBUVPCQXQHNS-DLBZAZTESA-N 1 3 324.513 2.280 10 0 DEAEHO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)N1[C@H](C)CC[C@H]1C ZINC000246195987 282427233 /nfs/dbraw/zinc/42/72/33/282427233.db2.gz ADNXLJJYNBYUFV-ZXDRNQKISA-N 1 3 309.498 2.484 10 0 DEAEHO C[NH+](C)CCCCN1Cc2c(cc(F)c(F)c2F)[C@@H]1CN ZINC000071683681 191007222 /nfs/dbraw/zinc/00/72/22/191007222.db2.gz YVFHXTBVSXWXSJ-ZDUSSCGKSA-N 1 3 301.356 2.261 10 0 DEAEHO CC[C@@H](C)[C@H]([NH3+])c1c(Br)cnn1CCN(C)C ZINC000159682309 186135327 /nfs/dbraw/zinc/13/53/27/186135327.db2.gz YXVITRKGXAHEEJ-KOLCDFICSA-N 1 3 303.248 2.253 10 0 DEAEHO O=C(C[C@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000302966407 539861216 /nfs/dbraw/zinc/86/12/16/539861216.db2.gz WANXACUDAYNDEC-QGZVFWFLSA-N 1 3 315.461 2.157 10 0 DEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cccc(Cl)n2)CC1 ZINC000173682339 198240050 /nfs/dbraw/zinc/24/00/50/198240050.db2.gz NLGCSTHPTPXAEU-ZDUSSCGKSA-N 1 3 311.857 2.260 10 0 DEAEHO c1cc2c(cc1CNc1ccc3c(c1)OCCNC3)C[NH2+]CC2 ZINC000629660868 367290289 /nfs/dbraw/zinc/29/02/89/367290289.db2.gz ACJOWWGUQZOTTN-UHFFFAOYSA-N 1 3 309.413 2.426 10 0 DEAEHO CC[NH2+][C@H](C)C1CCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634005 193385702 /nfs/dbraw/zinc/38/57/02/193385702.db2.gz JCOICSWSOXIHGO-BMFZPTHFSA-N 1 3 316.511 2.052 10 0 DEAEHO CCN(Cc1ccccc1)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000309817948 291692576 /nfs/dbraw/zinc/69/25/76/291692576.db2.gz CJTWGZBGKHXVOI-UHFFFAOYSA-N 1 3 303.450 2.096 10 0 DEAEHO CCNCc1c(N(C)CC[NH+]2CCCC2)nc2sccn12 ZINC000063052520 184268581 /nfs/dbraw/zinc/26/85/81/184268581.db2.gz YPTQZVVRCIFBLS-UHFFFAOYSA-N 1 3 307.467 2.037 10 0 DEAEHO CN(Cc1ccc(C(N)=S)cc1F)CC1CC[NH+](C)CC1 ZINC000063120823 184271750 /nfs/dbraw/zinc/27/17/50/184271750.db2.gz BYFFODMKQLCKMP-UHFFFAOYSA-N 1 3 309.454 2.234 10 0 DEAEHO C[NH2+]Cc1sc(N2CC[C@@H](N3CCCC3)C2)nc1C1CC1 ZINC000069182627 184503106 /nfs/dbraw/zinc/50/31/06/184503106.db2.gz LLKZJDHISKCUFH-CYBMUJFWSA-N 1 3 306.479 2.414 10 0 DEAEHO c1cncc(CN2CC3(C[C@H]2COCC2CC2)CC[NH2+]CC3)c1 ZINC000096209818 257133230 /nfs/dbraw/zinc/13/32/30/257133230.db2.gz HTJSGGSEPNXATR-SFHVURJKSA-N 1 3 315.461 2.452 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246393545 145101611 /nfs/dbraw/zinc/10/16/11/145101611.db2.gz RCSRJDHIHABVIL-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO COc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000247970509 145145483 /nfs/dbraw/zinc/14/54/83/145145483.db2.gz HGZNUFKPCSAOFW-CRAIPNDOSA-N 1 3 304.434 2.490 10 0 DEAEHO COc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000247970509 145145484 /nfs/dbraw/zinc/14/54/84/145145484.db2.gz HGZNUFKPCSAOFW-CRAIPNDOSA-N 1 3 304.434 2.490 10 0 DEAEHO CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261549218 145206769 /nfs/dbraw/zinc/20/67/69/145206769.db2.gz OJPNJORIIPNBLE-ZWKOTPCHSA-N 1 3 315.461 2.252 10 0 DEAEHO CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261549211 145207232 /nfs/dbraw/zinc/20/72/32/145207232.db2.gz OJPNJORIIPNBLE-MSOLQXFVSA-N 1 3 315.461 2.252 10 0 DEAEHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059102 145258342 /nfs/dbraw/zinc/25/83/42/145258342.db2.gz QYJPBRPALSFRRC-NVXWUHKLSA-N 1 3 322.522 2.205 10 0 DEAEHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103106 148210826 /nfs/dbraw/zinc/21/08/26/148210826.db2.gz DJCQICWBVQZRBN-KRWDZBQOSA-N 1 3 315.461 2.424 10 0 DEAEHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCCC12CCC2)c1ccccc1 ZINC000373103106 148210827 /nfs/dbraw/zinc/21/08/27/148210827.db2.gz DJCQICWBVQZRBN-KRWDZBQOSA-N 1 3 315.461 2.424 10 0 DEAEHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000155783693 402267130 /nfs/dbraw/zinc/26/71/30/402267130.db2.gz MGKRUQSEFZLKFH-OAHLLOKOSA-N 1 3 303.450 2.352 10 0 DEAEHO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000155783693 402267133 /nfs/dbraw/zinc/26/71/33/402267133.db2.gz MGKRUQSEFZLKFH-OAHLLOKOSA-N 1 3 303.450 2.352 10 0 DEAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000246996270 402552956 /nfs/dbraw/zinc/55/29/56/402552956.db2.gz PUFSYWGMSSNHPG-YOEHRIQHSA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC000246996270 402552959 /nfs/dbraw/zinc/55/29/59/402552959.db2.gz PUFSYWGMSSNHPG-YOEHRIQHSA-N 1 3 301.434 2.057 10 0 DEAEHO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248572532 402597091 /nfs/dbraw/zinc/59/70/91/402597091.db2.gz CXFBBAFTKWJXBI-DLBZAZTESA-N 1 3 318.465 2.025 10 0 DEAEHO C[C@@H](CCNC(=O)N1CCCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000182696067 402709300 /nfs/dbraw/zinc/70/93/00/402709300.db2.gz CYCHJTRWWKSWNK-INIZCTEOSA-N 1 3 322.497 2.131 10 0 DEAEHO CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000173328289 402692695 /nfs/dbraw/zinc/69/26/95/402692695.db2.gz SZLUGOCZOITGJV-CVEARBPZSA-N 1 3 312.502 2.229 10 0 DEAEHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174680699 402751857 /nfs/dbraw/zinc/75/18/57/402751857.db2.gz JQSGSHXABPYZBY-KRWDZBQOSA-N 1 3 322.497 2.154 10 0 DEAEHO C[C@H](NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060819 405696645 /nfs/dbraw/zinc/69/66/45/405696645.db2.gz JBKMMODPVROYLZ-KFKAGJAMSA-N 1 3 301.478 2.485 10 0 DEAEHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC1=CCOCC1 ZINC000423161867 405707443 /nfs/dbraw/zinc/70/74/43/405707443.db2.gz SPXMCRCYWJQPLB-WMZOPIPTSA-N 1 3 300.402 2.179 10 0 DEAEHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851509 405713530 /nfs/dbraw/zinc/71/35/30/405713530.db2.gz NHNFTPHXOCRCSN-DOTOQJQBSA-N 1 3 303.450 2.155 10 0 DEAEHO CCN(CC)CCC[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634949065 406364807 /nfs/dbraw/zinc/36/48/07/406364807.db2.gz GMFHGJLQLBCMGU-HUUCEWRRSA-N 1 3 304.500 2.054 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388680654 424914485 /nfs/dbraw/zinc/91/44/85/424914485.db2.gz VLHLGCXZUFCPPX-ZWKOTPCHSA-N 1 3 317.477 2.483 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000389972222 424916343 /nfs/dbraw/zinc/91/63/43/424916343.db2.gz CNKJLCPFIUTHKY-LTDKPHRXSA-N 1 3 315.461 2.141 10 0 DEAEHO CN(C(=O)C1(C[NH3+])CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000390798867 424917820 /nfs/dbraw/zinc/91/78/20/424917820.db2.gz MMFOGPGJUIRHAF-QGZVFWFLSA-N 1 3 315.461 2.238 10 0 DEAEHO CC1(C)OCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397710771 269106499 /nfs/dbraw/zinc/10/64/99/269106499.db2.gz YTJVFGFUVFYJAK-QGZVFWFLSA-N 1 3 318.461 2.171 10 0 DEAEHO CCOC[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397489594 269106596 /nfs/dbraw/zinc/10/65/96/269106596.db2.gz HCZCPLLCJSCGNU-MRXNPFEDSA-N 1 3 306.450 2.028 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826745 279281514 /nfs/dbraw/zinc/28/15/14/279281514.db2.gz IWETUZZISRCTLA-HOTGVXAUSA-N 1 3 312.502 2.136 10 0 DEAEHO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCN(C2CCCC2)CC1 ZINC000262643029 280113857 /nfs/dbraw/zinc/11/38/57/280113857.db2.gz LVTMSQDBDHWQQK-NJAFHUGGSA-N 1 3 319.493 2.384 10 0 DEAEHO C[C@@H](CN1CCCCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000121791828 281762111 /nfs/dbraw/zinc/76/21/11/281762111.db2.gz ADIVRUWBEKOYOM-GTPINHCMSA-N 1 3 324.513 2.280 10 0 DEAEHO COc1ccccc1[C@@H]1CNCCN1CCC1CC[NH2+]CC1 ZINC000261836644 295394063 /nfs/dbraw/zinc/39/40/63/295394063.db2.gz UDEMQCWQYLXAMM-KRWDZBQOSA-N 1 3 303.450 2.031 10 0 DEAEHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000246176560 525956930 /nfs/dbraw/zinc/95/69/30/525956930.db2.gz BRHNFOUDQBQBRH-KSZLIROESA-N 1 3 315.461 2.376 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000721944803 777006256 /nfs/dbraw/zinc/00/62/56/777006256.db2.gz UMTBYCFGXDIAMS-KLHDSHLOSA-N 1 3 323.481 2.458 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000721944803 777006263 /nfs/dbraw/zinc/00/62/63/777006263.db2.gz UMTBYCFGXDIAMS-KLHDSHLOSA-N 1 3 323.481 2.458 10 0 DEAEHO CO[C@](C)(CO)CN[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634423 792982483 /nfs/dbraw/zinc/98/24/83/792982483.db2.gz AVZVBDJXJYSYGJ-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@](C)(CO)CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634423 792982496 /nfs/dbraw/zinc/98/24/96/792982496.db2.gz AVZVBDJXJYSYGJ-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@](C)(CO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716634423 792982507 /nfs/dbraw/zinc/98/25/07/792982507.db2.gz AVZVBDJXJYSYGJ-VJANTYMQSA-N 1 3 318.461 2.027 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000721932797 1084509250 /nfs/dbraw/zinc/50/92/50/1084509250.db2.gz VIBCMWPIYDTIBP-MOTUXRJWSA-N 1 3 323.481 2.457 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000721932797 1084509259 /nfs/dbraw/zinc/50/92/59/1084509259.db2.gz VIBCMWPIYDTIBP-MOTUXRJWSA-N 1 3 323.481 2.457 10 0 DEAEHO CN1CCCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000710861835 1086689836 /nfs/dbraw/zinc/68/98/36/1086689836.db2.gz BCIJUDARZIKBML-CQSZACIVSA-N 1 3 311.470 2.175 10 0 DEAEHO CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000710960343 1086692596 /nfs/dbraw/zinc/69/25/96/1086692596.db2.gz ZSOHSBBKLISRQT-KZNAEPCWSA-N 1 3 315.461 2.237 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000192945612 282345442 /nfs/dbraw/zinc/34/54/42/282345442.db2.gz ZZGQRUOOARXMCX-INIZCTEOSA-N 1 3 312.502 2.138 10 0 DEAEHO CC[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000262665952 356343682 /nfs/dbraw/zinc/34/36/82/356343682.db2.gz JTABYAWCOOKKKW-RYQLBKOJSA-N 1 3 315.461 2.067 10 0 DEAEHO c1cc(OC[C@H]2CCCO2)ccc1CNCCC[NH+]1CCC1 ZINC000578247191 356787064 /nfs/dbraw/zinc/78/70/64/356787064.db2.gz NZMFJKBJLJHLAX-GOSISDBHSA-N 1 3 304.434 2.430 10 0 DEAEHO C[C@@H]([NH3+])CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000261877566 296016734 /nfs/dbraw/zinc/01/67/34/296016734.db2.gz SMBOTDHHUAIQCL-PBHICJAKSA-N 1 3 317.477 2.313 10 0 DEAEHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C1CCC([NH3+])CC1 ZINC000091844803 193117381 /nfs/dbraw/zinc/11/73/81/193117381.db2.gz ZTHUOGANPLKKID-GRTSSRMGSA-N 1 3 310.463 2.353 10 0 DEAEHO c1ccc(COCCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591591 367266705 /nfs/dbraw/zinc/26/67/05/367266705.db2.gz KGDAALNBIRSTGP-IBGZPJMESA-N 1 3 318.461 2.294 10 0 DEAEHO COCCNC[C@@]1(C[N@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982812 193191423 /nfs/dbraw/zinc/19/14/23/193191423.db2.gz NUFUXCGOXWORCI-NVXWUHKLSA-N 1 3 300.487 2.122 10 0 DEAEHO COCCNC[C@@]1(C[N@@H+](C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982812 193191425 /nfs/dbraw/zinc/19/14/25/193191425.db2.gz NUFUXCGOXWORCI-NVXWUHKLSA-N 1 3 300.487 2.122 10 0 DEAEHO COCC[NH2+]C[C@@]1(CN(C)CC(C)(C)O)CCC[C@@H](C)C1 ZINC000092982812 193191427 /nfs/dbraw/zinc/19/14/27/193191427.db2.gz NUFUXCGOXWORCI-NVXWUHKLSA-N 1 3 300.487 2.122 10 0 DEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@H]1c1c(F)cccc1Cl ZINC000093382176 193240997 /nfs/dbraw/zinc/24/09/97/193240997.db2.gz JXWYDXZAIVOYIC-ZDUSSCGKSA-N 1 3 312.820 2.492 10 0 DEAEHO CNCc1cc(Br)cnc1OCC(C)(C)[NH+](C)C ZINC000093955338 193332330 /nfs/dbraw/zinc/33/23/30/193332330.db2.gz REZGULWORRXQTB-UHFFFAOYSA-N 1 3 316.243 2.283 10 0 DEAEHO C[NH+](C)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1CN ZINC000094334272 193360026 /nfs/dbraw/zinc/36/00/26/193360026.db2.gz SSJJCBWURZHESA-LLVKDONJSA-N 1 3 302.344 2.090 10 0 DEAEHO CC(C)N(C)CCCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635752 193386500 /nfs/dbraw/zinc/38/65/00/193386500.db2.gz NSXKJSYDRMDLGX-CABCVRRESA-N 1 3 304.500 2.052 10 0 DEAEHO CCN[C@H]1[C@H](C[N@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429310 193368884 /nfs/dbraw/zinc/36/88/84/193368884.db2.gz GZKJEUZPRHVULS-GJZGRUSLSA-N 1 3 300.487 2.261 10 0 DEAEHO CCN[C@H]1[C@H](C[N@@H+](CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429310 193368886 /nfs/dbraw/zinc/36/88/86/193368886.db2.gz GZKJEUZPRHVULS-GJZGRUSLSA-N 1 3 300.487 2.261 10 0 DEAEHO CC[NH2+][C@H]1[C@H](CN(CCCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429310 193368888 /nfs/dbraw/zinc/36/88/88/193368888.db2.gz GZKJEUZPRHVULS-GJZGRUSLSA-N 1 3 300.487 2.261 10 0 DEAEHO CNC(=O)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453383339 245103849 /nfs/dbraw/zinc/10/38/49/245103849.db2.gz SMFNWWREVXMGTH-DDBAPUKQSA-N 1 3 315.461 2.296 10 0 DEAEHO CNC(=O)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453383339 245103857 /nfs/dbraw/zinc/10/38/57/245103857.db2.gz SMFNWWREVXMGTH-DDBAPUKQSA-N 1 3 315.461 2.296 10 0 DEAEHO CCNCc1cc(Br)cnc1OCCC[NH+](C)C ZINC000051549318 183829052 /nfs/dbraw/zinc/82/90/52/183829052.db2.gz ZEVORYCFAUOVOP-UHFFFAOYSA-N 1 3 316.243 2.284 10 0 DEAEHO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCN(C)C ZINC000111129971 194393439 /nfs/dbraw/zinc/39/34/39/194393439.db2.gz SWJYJCLVRISXRB-FZMZJTMJSA-N 1 3 314.271 2.331 10 0 DEAEHO CCCNCc1c(N2CC[C@@H]([NH+](C)C)C2)nc2sccn12 ZINC000062966987 184263086 /nfs/dbraw/zinc/26/30/86/184263086.db2.gz XNANZOQWJRCHRZ-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CC(C)NCc1c(N2CC[C@@H]([NH+](C)C)C2)nc2sccn12 ZINC000062967171 184263431 /nfs/dbraw/zinc/26/34/31/184263431.db2.gz UXSGJFFISZOTDH-GFCCVEGCSA-N 1 3 307.467 2.034 10 0 DEAEHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1C ZINC000119925818 195063742 /nfs/dbraw/zinc/06/37/42/195063742.db2.gz VJOKCVRAONPSSX-HZSPNIEDSA-N 1 3 308.857 2.386 10 0 DEAEHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1C ZINC000119925818 195063744 /nfs/dbraw/zinc/06/37/44/195063744.db2.gz VJOKCVRAONPSSX-HZSPNIEDSA-N 1 3 308.857 2.386 10 0 DEAEHO NC1=NC[C@@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1ccccc1Cl ZINC000157242985 197172384 /nfs/dbraw/zinc/17/23/84/197172384.db2.gz AQIWWUZFUXGIMO-WBMJQRKESA-N 1 3 304.825 2.472 10 0 DEAEHO NC1=NC[C@@]2(CC[N@H+]3CCC[C@@H]3C2)N1c1ccccc1Cl ZINC000157242985 197172386 /nfs/dbraw/zinc/17/23/86/197172386.db2.gz AQIWWUZFUXGIMO-WBMJQRKESA-N 1 3 304.825 2.472 10 0 DEAEHO NC1=NC[C@]2(CC[N@@H+]3CCC[C@@H]3C2)N1c1ccccc1Cl ZINC000157243124 197172469 /nfs/dbraw/zinc/17/24/69/197172469.db2.gz AQIWWUZFUXGIMO-MLGOLLRUSA-N 1 3 304.825 2.472 10 0 DEAEHO NC1=NC[C@]2(CC[N@H+]3CCC[C@@H]3C2)N1c1ccccc1Cl ZINC000157243124 197172471 /nfs/dbraw/zinc/17/24/71/197172471.db2.gz AQIWWUZFUXGIMO-MLGOLLRUSA-N 1 3 304.825 2.472 10 0 DEAEHO CC(C)C[C@@H](C[NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000153146874 196855398 /nfs/dbraw/zinc/85/53/98/196855398.db2.gz VFFSUZRHFQHYKU-KRWDZBQOSA-N 1 3 317.477 2.388 10 0 DEAEHO Cn1cc(CN2C[C@@H]3CCC[C@H](C[NH+]4CCCC4)[C@@H]3C2)cn1 ZINC000248156208 257107893 /nfs/dbraw/zinc/10/78/93/257107893.db2.gz VSJDEDXTDSDGMT-SQNIBIBYSA-N 1 3 302.466 2.364 10 0 DEAEHO CC1CCC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000362829567 133253351 /nfs/dbraw/zinc/25/33/51/133253351.db2.gz HLFZPZUOQHIUNW-UHFFFAOYSA-N 1 3 321.509 2.441 10 0 DEAEHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256646 145130895 /nfs/dbraw/zinc/13/08/95/145130895.db2.gz UZAGUURRJDMCHJ-WMZOPIPTSA-N 1 3 317.477 2.498 10 0 DEAEHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247256646 145130897 /nfs/dbraw/zinc/13/08/97/145130897.db2.gz UZAGUURRJDMCHJ-WMZOPIPTSA-N 1 3 317.477 2.498 10 0 DEAEHO COC[C@@H](C)[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247563754 145141588 /nfs/dbraw/zinc/14/15/88/145141588.db2.gz RBKBBVWGKBPLFT-VQIMIIECSA-N 1 3 320.477 2.399 10 0 DEAEHO COC[C@@H](C)[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247563754 145141589 /nfs/dbraw/zinc/14/15/89/145141589.db2.gz RBKBBVWGKBPLFT-VQIMIIECSA-N 1 3 320.477 2.399 10 0 DEAEHO Cc1ccc([C@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)N2CCCC2)cc1 ZINC000262411468 145281944 /nfs/dbraw/zinc/28/19/44/145281944.db2.gz QPEQOUBTODXBCB-YJBOKZPZSA-N 1 3 315.461 2.104 10 0 DEAEHO CCCN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063756114 402114679 /nfs/dbraw/zinc/11/46/79/402114679.db2.gz JTTICQOJHIECNW-UHFFFAOYSA-N 1 3 303.450 2.240 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125237495 402221063 /nfs/dbraw/zinc/22/10/63/402221063.db2.gz MPTDJFHBRJLKKW-OFLPRAFFSA-N 1 3 324.513 2.233 10 0 DEAEHO COCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862862 402209710 /nfs/dbraw/zinc/20/97/10/402209710.db2.gz BLAYBIRTSFWKRN-GOSISDBHSA-N 1 3 306.450 2.010 10 0 DEAEHO COCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000105862862 402209714 /nfs/dbraw/zinc/20/97/14/402209714.db2.gz BLAYBIRTSFWKRN-GOSISDBHSA-N 1 3 306.450 2.010 10 0 DEAEHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580748 402278998 /nfs/dbraw/zinc/27/89/98/402278998.db2.gz GERXJYDOUAHZCZ-MRXNPFEDSA-N 1 3 303.450 2.280 10 0 DEAEHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000184580748 402279001 /nfs/dbraw/zinc/27/90/01/402279001.db2.gz GERXJYDOUAHZCZ-MRXNPFEDSA-N 1 3 303.450 2.280 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000177012665 402359266 /nfs/dbraw/zinc/35/92/66/402359266.db2.gz YYQDKNDOGYZFHE-QGZVFWFLSA-N 1 3 303.450 2.305 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000177012665 402359268 /nfs/dbraw/zinc/35/92/68/402359268.db2.gz YYQDKNDOGYZFHE-QGZVFWFLSA-N 1 3 303.450 2.305 10 0 DEAEHO COC[C@@H](CCC[NH3+])NCc1cccc(Br)c1 ZINC000234731151 402361088 /nfs/dbraw/zinc/36/10/88/402361088.db2.gz QTCNZTLCJYDDLS-CYBMUJFWSA-N 1 3 301.228 2.293 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245482418 402464615 /nfs/dbraw/zinc/46/46/15/402464615.db2.gz ZHGWEIBGFARXDE-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000245482418 402464617 /nfs/dbraw/zinc/46/46/17/402464617.db2.gz ZHGWEIBGFARXDE-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC1CC[NH2+]CC1 ZINC000261805682 402717744 /nfs/dbraw/zinc/71/77/44/402717744.db2.gz HIATWQWKUNETJQ-IRXDYDNUSA-N 1 3 308.466 2.430 10 0 DEAEHO C1CCC(N2CCC([NH2+][C@H]3CCC[C@H]3[C@@H]3COCCN3)CC2)C1 ZINC000261841639 402718262 /nfs/dbraw/zinc/71/82/62/402718262.db2.gz ALSGZBGVWISSNO-QYZOEREBSA-N 1 3 321.509 2.140 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCN1C ZINC000174164098 402729628 /nfs/dbraw/zinc/72/96/28/402729628.db2.gz GTLVTKAHVFDSOB-HOCLYGCPSA-N 1 3 324.513 2.373 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C ZINC000174303062 402735696 /nfs/dbraw/zinc/73/56/96/402735696.db2.gz BMUWAMUZFCESFJ-HNNXBMFYSA-N 1 3 312.502 2.090 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)C ZINC000174303062 402735697 /nfs/dbraw/zinc/73/56/97/402735697.db2.gz BMUWAMUZFCESFJ-HNNXBMFYSA-N 1 3 312.502 2.090 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000195049493 402828882 /nfs/dbraw/zinc/82/88/82/402828882.db2.gz YHHCLRIYWKTISU-SJORKVTESA-N 1 3 324.513 2.280 10 0 DEAEHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC[C@H]2C)C1 ZINC000195049493 402828885 /nfs/dbraw/zinc/82/88/85/402828885.db2.gz YHHCLRIYWKTISU-SJORKVTESA-N 1 3 324.513 2.280 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000194148419 402785701 /nfs/dbraw/zinc/78/57/01/402785701.db2.gz AJMXIMNFPBYHDT-IRXDYDNUSA-N 1 3 324.513 2.282 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000194148419 402785702 /nfs/dbraw/zinc/78/57/02/402785702.db2.gz AJMXIMNFPBYHDT-IRXDYDNUSA-N 1 3 324.513 2.282 10 0 DEAEHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852532 405715762 /nfs/dbraw/zinc/71/57/62/405715762.db2.gz YCYNIYOTFCVOAY-FUHWJXTLSA-N 1 3 317.477 2.403 10 0 DEAEHO C[C@@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000398035622 424922860 /nfs/dbraw/zinc/92/28/60/424922860.db2.gz PNNWLXKYOXANKM-AGERRDQYSA-N 1 3 315.461 2.283 10 0 DEAEHO [NH3+]C1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000302871378 424892772 /nfs/dbraw/zinc/89/27/72/424892772.db2.gz GQLGUZDWOXNECE-UHFFFAOYSA-N 1 3 315.461 2.285 10 0 DEAEHO CCC[NH2+]CCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000261732808 535171731 /nfs/dbraw/zinc/17/17/31/535171731.db2.gz YLNIHULHAAZWFT-UHFFFAOYSA-N 1 3 303.450 2.400 10 0 DEAEHO CN(CCN1CC[N@@H+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248561516 536371953 /nfs/dbraw/zinc/37/19/53/536371953.db2.gz NCIQWLBXZPSLRB-SFHVURJKSA-N 1 3 305.441 2.428 10 0 DEAEHO CN(CCN1CC[N@H+]2CCCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248561516 536371956 /nfs/dbraw/zinc/37/19/56/536371956.db2.gz NCIQWLBXZPSLRB-SFHVURJKSA-N 1 3 305.441 2.428 10 0 DEAEHO Brc1cnc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000714952798 792374280 /nfs/dbraw/zinc/37/42/80/792374280.db2.gz VQCXJDNJDIVAQF-IVZWLZJFSA-N 1 3 316.268 2.383 10 0 DEAEHO CC(C)[C@H](C)[C@@H]([NH3+])c1c(Br)cnn1CCN(C)C ZINC000126532707 185871692 /nfs/dbraw/zinc/87/16/92/185871692.db2.gz BOIPVFIWVCNZTH-CMPLNLGQSA-N 1 3 317.275 2.499 10 0 DEAEHO CCC[NH2+][C@@](C)(CO)C[C@@H](C)N(CCN(C)C)CC(C)C ZINC000070514008 190903731 /nfs/dbraw/zinc/90/37/31/190903731.db2.gz IIWRCORUBCNHRS-IAGOWNOFSA-N 1 3 301.519 2.035 10 0 DEAEHO CC[NH2+][C@H](Cc1ccccc1Cl)C[C@@H]1CN(C)CCN1C ZINC000149684514 186051558 /nfs/dbraw/zinc/05/15/58/186051558.db2.gz ASTUJZHLYYNLOS-HZPDHXFCSA-N 1 3 309.885 2.497 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000309746142 539878613 /nfs/dbraw/zinc/87/86/13/539878613.db2.gz XTHZQSDQARVAON-OKZBNKHCSA-N 1 3 315.461 2.094 10 0 DEAEHO CCCN1CCN(c2ccccc2CN2CC[NH2+][C@H](C)C2)CC1 ZINC000092456988 355633977 /nfs/dbraw/zinc/63/39/77/355633977.db2.gz AVDXLAXBJNXENE-QGZVFWFLSA-N 1 3 316.493 2.012 10 0 DEAEHO CN(C)C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000195315429 201379910 /nfs/dbraw/zinc/37/99/10/201379910.db2.gz IUTFRLYLVIGQQY-GOSISDBHSA-N 1 3 315.461 2.280 10 0 DEAEHO C[C@@H]1CN(CCOc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000631837486 368414952 /nfs/dbraw/zinc/41/49/52/368414952.db2.gz BVRKVULLWIZVGA-NEPJUHHUSA-N 1 3 313.239 2.355 10 0 DEAEHO CCN(CC(=O)N[C@H](C)c1cccs1)CC1CC[NH2+]CC1 ZINC000094024937 193340168 /nfs/dbraw/zinc/34/01/68/193340168.db2.gz LJFJINUEMWWIOX-CYBMUJFWSA-N 1 3 309.479 2.247 10 0 DEAEHO CC[NH2+]Cc1sc(N2CC[C@@H](N3CCCC3)C2)nc1CC ZINC000110275671 194318963 /nfs/dbraw/zinc/31/89/63/194318963.db2.gz PFVUGWWFTZPHGF-CYBMUJFWSA-N 1 3 308.495 2.490 10 0 DEAEHO CCN[C@@H](CC)c1c(Br)cnn1CC[NH+](C)C ZINC000158736435 197298238 /nfs/dbraw/zinc/29/82/38/197298238.db2.gz YLXLYEGJHAZRPT-NSHDSACASA-N 1 3 303.248 2.268 10 0 DEAEHO COc1ccccc1CN1CC[C@@]2(C1)C[C@@H]([NH+](C)C)CCO2 ZINC000248036222 257111268 /nfs/dbraw/zinc/11/12/68/257111268.db2.gz UTOFNHYDBQAOJS-WMZOPIPTSA-N 1 3 304.434 2.380 10 0 DEAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671546 133194476 /nfs/dbraw/zinc/19/44/76/133194476.db2.gz LHMHLZLIKKJXCC-QFBILLFUSA-N 1 3 315.461 2.411 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CN1Cc1ccccc1 ZINC000261812364 145229196 /nfs/dbraw/zinc/22/91/96/145229196.db2.gz RXWMKVARIUPDDI-XOYOTBSWSA-N 1 3 315.461 2.141 10 0 DEAEHO OCCNCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013732872 401804158 /nfs/dbraw/zinc/80/41/58/401804158.db2.gz ASBTVBQDZGLDON-UHFFFAOYSA-N 1 3 314.429 2.327 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000052524660 402043588 /nfs/dbraw/zinc/04/35/88/402043588.db2.gz QJAIYFFWRNMCSF-IRXDYDNUSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000154091215 402192540 /nfs/dbraw/zinc/19/25/40/402192540.db2.gz MLTNJHLGHKGBDC-BBWFWOEESA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000154091215 402192542 /nfs/dbraw/zinc/19/25/42/402192542.db2.gz MLTNJHLGHKGBDC-BBWFWOEESA-N 1 3 322.497 2.129 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000162676598 402428224 /nfs/dbraw/zinc/42/82/24/402428224.db2.gz VNLVIJMMPCXJIH-HYVNUMGLSA-N 1 3 307.482 2.192 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000162676598 402428226 /nfs/dbraw/zinc/42/82/26/402428226.db2.gz VNLVIJMMPCXJIH-HYVNUMGLSA-N 1 3 307.482 2.192 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163049107 402440459 /nfs/dbraw/zinc/44/04/59/402440459.db2.gz YWKJFKVVJPPIER-SJORKVTESA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163049107 402440460 /nfs/dbraw/zinc/44/04/60/402440460.db2.gz YWKJFKVVJPPIER-SJORKVTESA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCCN(CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000163049107 402440462 /nfs/dbraw/zinc/44/04/62/402440462.db2.gz YWKJFKVVJPPIER-SJORKVTESA-N 1 3 305.470 2.091 10 0 DEAEHO Cc1nc(C)n(C[C@@H]2CCCN(CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163049107 402440463 /nfs/dbraw/zinc/44/04/63/402440463.db2.gz YWKJFKVVJPPIER-SJORKVTESA-N 1 3 305.470 2.091 10 0 DEAEHO CN(C(=O)[C@H]1CCC[C@@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167667971 402492888 /nfs/dbraw/zinc/49/28/88/402492888.db2.gz HSWWAPHREYXKRU-ROUUACIJSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246012807 402503740 /nfs/dbraw/zinc/50/37/40/402503740.db2.gz KYFGSLWHQRDITR-OWCLPIDISA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246012807 402503743 /nfs/dbraw/zinc/50/37/43/402503743.db2.gz KYFGSLWHQRDITR-OWCLPIDISA-N 1 3 324.513 2.088 10 0 DEAEHO CCc1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)s1 ZINC000178980036 402561267 /nfs/dbraw/zinc/56/12/67/402561267.db2.gz KGFWRARTTVHKPW-UHFFFAOYSA-N 1 3 307.507 2.428 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246341750 402526026 /nfs/dbraw/zinc/52/60/26/402526026.db2.gz OVLLSFJPSVARLE-OAGGEKHMSA-N 1 3 312.502 2.087 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246341750 402526028 /nfs/dbraw/zinc/52/60/28/402526028.db2.gz OVLLSFJPSVARLE-OAGGEKHMSA-N 1 3 312.502 2.087 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCCN1CC ZINC000246485651 402533442 /nfs/dbraw/zinc/53/34/42/402533442.db2.gz VZBFWJTWFZYXCJ-BRWVUGGUSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCCN1CC ZINC000246485651 402533444 /nfs/dbraw/zinc/53/34/44/402533444.db2.gz VZBFWJTWFZYXCJ-BRWVUGGUSA-N 1 3 322.497 2.129 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174173033 402730178 /nfs/dbraw/zinc/73/01/78/402730178.db2.gz KBXXQQSCSUMIOK-SJORKVTESA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@H]1CCCCN1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193696432 402775127 /nfs/dbraw/zinc/77/51/27/402775127.db2.gz HMESNEZEBNXQPE-HNNXBMFYSA-N 1 3 322.497 2.034 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175668645 402824394 /nfs/dbraw/zinc/82/43/94/402824394.db2.gz BKPBCLGNDBDIST-INIZCTEOSA-N 1 3 322.497 2.177 10 0 DEAEHO CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000176020761 402848215 /nfs/dbraw/zinc/84/82/15/402848215.db2.gz XHXIYIZIZZOZMM-UHFFFAOYSA-N 1 3 322.497 2.177 10 0 DEAEHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422762149 405681236 /nfs/dbraw/zinc/68/12/36/405681236.db2.gz RVAVFQAZDWMMLJ-ZSYWTGECSA-N 1 3 300.446 2.291 10 0 DEAEHO C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)N(C)C ZINC000459035111 405706712 /nfs/dbraw/zinc/70/67/12/405706712.db2.gz DGEZZSZBVPMJAH-DLBZAZTESA-N 1 3 324.513 2.234 10 0 DEAEHO C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)N(C)Cc1ccccc1 ZINC000634768387 406274701 /nfs/dbraw/zinc/27/47/01/406274701.db2.gz IDJCYGAHLYECRP-IEZWGBDMSA-N 1 3 315.461 2.013 10 0 DEAEHO c1ccc2c(c1)CC[C@H](N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422762146 230194615 /nfs/dbraw/zinc/19/46/15/230194615.db2.gz RVAVFQAZDWMMLJ-CADBVGFASA-N 1 3 300.446 2.291 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000390700831 424917495 /nfs/dbraw/zinc/91/74/95/424917495.db2.gz CQFPQIJDQFJXOE-MSOLQXFVSA-N 1 3 317.477 2.388 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390715910 424917519 /nfs/dbraw/zinc/91/75/19/424917519.db2.gz CLTGBNYEXIIQLW-BZSNNMDCSA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)N(C)Cc1ccccc1 ZINC000407360412 424932822 /nfs/dbraw/zinc/93/28/22/424932822.db2.gz HEJSZZPGMDHDAC-OLMNPRSZSA-N 1 3 315.461 2.154 10 0 DEAEHO CC[C@@]1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000370847457 269086402 /nfs/dbraw/zinc/08/64/02/269086402.db2.gz SDLGRHXFWFHVNE-CRAIPNDOSA-N 1 3 303.450 2.013 10 0 DEAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398047015 269108043 /nfs/dbraw/zinc/10/80/43/269108043.db2.gz WDVTYVKTVFONIN-FPAYPSAMSA-N 1 3 301.478 2.485 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1ccc(Br)cc1 ZINC000234793778 277589628 /nfs/dbraw/zinc/58/96/28/277589628.db2.gz SZBDSETZQPSIMC-ZDUSSCGKSA-N 1 3 301.228 2.293 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000176414275 279325054 /nfs/dbraw/zinc/32/50/54/279325054.db2.gz GUDYFDARVXABBB-KRWDZBQOSA-N 1 3 324.513 2.234 10 0 DEAEHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000261781911 279367731 /nfs/dbraw/zinc/36/77/31/279367731.db2.gz RYENJRUUUNZLPZ-IXDOHACOSA-N 1 3 317.481 2.346 10 0 DEAEHO O=C([C@H]1CC12CCN(C[C@@H]1CCC[NH2+]C1)CC2)N1CCCCC1 ZINC000262000788 280125845 /nfs/dbraw/zinc/12/58/45/280125845.db2.gz UATHGBIRCRGKIG-IAGOWNOFSA-N 1 3 319.493 2.101 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000184935711 333202863 /nfs/dbraw/zinc/20/28/63/333202863.db2.gz AXLMHIWOZUMYRE-CVEARBPZSA-N 1 3 310.486 2.034 10 0 DEAEHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000261975922 535913031 /nfs/dbraw/zinc/91/30/31/535913031.db2.gz QTPNLEBSELDOKI-KBPBESRZSA-N 1 3 305.422 2.083 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261560369 635900066 /nfs/dbraw/zinc/90/00/66/635900066.db2.gz ZUGAVJCSOVIWDT-DJIMGWMZSA-N 1 3 303.450 2.141 10 0 DEAEHO [NH3+][C@H](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000379667364 685393099 /nfs/dbraw/zinc/39/30/99/685393099.db2.gz ZJIPUNVGYQBXCB-QZTJIDSGSA-N 1 3 315.461 2.285 10 0 DEAEHO [NH3+]C1(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC1 ZINC000237999358 539753159 /nfs/dbraw/zinc/75/31/59/539753159.db2.gz NTKICBMDJRGPJQ-QGZVFWFLSA-N 1 3 315.461 2.429 10 0 DEAEHO CC[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@@H]1CN(C)CCN1C ZINC000149665353 186052055 /nfs/dbraw/zinc/05/20/55/186052055.db2.gz INYTWMWVZRNVNV-DLBZAZTESA-N 1 3 309.885 2.497 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182716003 356141454 /nfs/dbraw/zinc/14/14/54/356141454.db2.gz GMBYEJIPXNDABN-IAGOWNOFSA-N 1 3 324.513 2.377 10 0 DEAEHO CCCN1CCC(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182830814 356147517 /nfs/dbraw/zinc/14/75/17/356147517.db2.gz VDJCQYIHZJPOCQ-JKSUJKDBSA-N 1 3 316.511 2.054 10 0 DEAEHO Cn1ncc(Br)c1CNC(C)(C)CCC[NH+](C)C ZINC000387368833 356703323 /nfs/dbraw/zinc/70/33/23/356703323.db2.gz WFIZMPDVNIIILF-UHFFFAOYSA-N 1 3 317.275 2.393 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782959 193307963 /nfs/dbraw/zinc/30/79/63/193307963.db2.gz XGYWVPLAKISYGJ-DLBZAZTESA-N 1 3 300.487 2.264 10 0 DEAEHO CCCN[C@]1(CO)CCC[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782959 193307965 /nfs/dbraw/zinc/30/79/65/193307965.db2.gz XGYWVPLAKISYGJ-DLBZAZTESA-N 1 3 300.487 2.264 10 0 DEAEHO CCC[NH2+][C@]1(CO)CCC[C@H](N(CCOC)CC(C)C)C1 ZINC000093782959 193307966 /nfs/dbraw/zinc/30/79/66/193307966.db2.gz XGYWVPLAKISYGJ-DLBZAZTESA-N 1 3 300.487 2.264 10 0 DEAEHO CN(C)CCn1ncc(Br)c1[C@@H]([NH3+])C1CCC1 ZINC000159976871 197377496 /nfs/dbraw/zinc/37/74/96/197377496.db2.gz WMXJYOKKAFEBAF-NSHDSACASA-N 1 3 301.232 2.007 10 0 DEAEHO CN(C)CCN(C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000111147017 194394892 /nfs/dbraw/zinc/39/48/92/194394892.db2.gz SKWYMRLATGGXMC-CQSZACIVSA-N 1 3 314.271 2.332 10 0 DEAEHO COc1cccc(CN2CC[C@@]3(C2)C[C@@H]([NH+](C)C)CCO3)c1 ZINC000248031764 257111184 /nfs/dbraw/zinc/11/11/84/257111184.db2.gz TXHXKLQHLOZNAU-WMZOPIPTSA-N 1 3 304.434 2.380 10 0 DEAEHO CNCc1cc(OCCC[NH+](C)C)ccc1Br ZINC000122044548 195394002 /nfs/dbraw/zinc/39/40/02/195394002.db2.gz DAZQDNMMYPQULM-UHFFFAOYSA-N 1 3 301.228 2.499 10 0 DEAEHO Cn1c2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2sc1=O ZINC000192469832 145073788 /nfs/dbraw/zinc/07/37/88/145073788.db2.gz JDHOTYCDDPTBQA-ZDUSSCGKSA-N 1 3 317.458 2.174 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000247500385 145139198 /nfs/dbraw/zinc/13/91/98/145139198.db2.gz UZKXBPCZLNZZRI-CVEARBPZSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000247500385 145139199 /nfs/dbraw/zinc/13/91/99/145139199.db2.gz UZKXBPCZLNZZRI-CVEARBPZSA-N 1 3 322.497 2.129 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000261547804 145207252 /nfs/dbraw/zinc/20/72/52/145207252.db2.gz MTVIRHDNXHLMLW-NVXWUHKLSA-N 1 3 317.477 2.401 10 0 DEAEHO C[C@@H](CC(=O)Nc1ccc2c(c1F)CCNC2)C1CC[NH2+]CC1 ZINC000261713199 145218942 /nfs/dbraw/zinc/21/89/42/145218942.db2.gz KSPVSYHVDZUMHZ-LBPRGKRZSA-N 1 3 319.424 2.436 10 0 DEAEHO Cc1ncsc1CN(C)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262059111 145258679 /nfs/dbraw/zinc/25/86/79/145258679.db2.gz QYJPBRPALSFRRC-WBVHZDCISA-N 1 3 322.522 2.205 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)[C@@H](C)C1 ZINC000358300019 147109080 /nfs/dbraw/zinc/10/90/80/147109080.db2.gz NFXJECUFCKCNFP-MPGHIAIKSA-N 1 3 322.497 2.376 10 0 DEAEHO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000120145366 401979620 /nfs/dbraw/zinc/97/96/20/401979620.db2.gz MALHFAVLMDYVHA-DOTOQJQBSA-N 1 3 309.498 2.343 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000152373802 402092438 /nfs/dbraw/zinc/09/24/38/402092438.db2.gz HRGUUVRGYQXOKK-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000152373802 402092439 /nfs/dbraw/zinc/09/24/39/402092439.db2.gz HRGUUVRGYQXOKK-BRWVUGGUSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)N(C)C1CC1 ZINC000107846998 402241670 /nfs/dbraw/zinc/24/16/70/402241670.db2.gz XEONCICDCHSYCI-NVXWUHKLSA-N 1 3 322.497 2.129 10 0 DEAEHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000247284935 402562786 /nfs/dbraw/zinc/56/27/86/402562786.db2.gz KMWDQEHRGAQEDT-ULQDDVLXSA-N 1 3 324.513 2.088 10 0 DEAEHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000247284935 402562787 /nfs/dbraw/zinc/56/27/87/402562787.db2.gz KMWDQEHRGAQEDT-ULQDDVLXSA-N 1 3 324.513 2.088 10 0 DEAEHO CCCn1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000172044000 402637948 /nfs/dbraw/zinc/63/79/48/402637948.db2.gz AMBBUYSHZCPNJY-IYBDPMFKSA-N 1 3 308.470 2.272 10 0 DEAEHO CCCn1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000172044002 402638100 /nfs/dbraw/zinc/63/81/00/402638100.db2.gz AMBBUYSHZCPNJY-HZPDHXFCSA-N 1 3 308.470 2.272 10 0 DEAEHO COc1ccccc1[C@H]1CNCCN1CCC1CC[NH2+]CC1 ZINC000261836645 402718027 /nfs/dbraw/zinc/71/80/27/402718027.db2.gz UDEMQCWQYLXAMM-QGZVFWFLSA-N 1 3 303.450 2.031 10 0 DEAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000175769698 402831018 /nfs/dbraw/zinc/83/10/18/402831018.db2.gz BTHDUGXAPIBTCG-QGZVFWFLSA-N 1 3 324.513 2.090 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)[C@H](C)C1 ZINC000358300024 404758620 /nfs/dbraw/zinc/75/86/20/404758620.db2.gz NFXJECUFCKCNFP-VKJFTORMSA-N 1 3 322.497 2.376 10 0 DEAEHO COC[C@@](C)(O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468027 405623399 /nfs/dbraw/zinc/62/33/99/405623399.db2.gz KUWHEGFBGXZEIT-OKYOBFRVSA-N 1 3 318.461 2.169 10 0 DEAEHO COC[C@@](C)(O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468027 405623410 /nfs/dbraw/zinc/62/34/10/405623410.db2.gz KUWHEGFBGXZEIT-OKYOBFRVSA-N 1 3 318.461 2.169 10 0 DEAEHO CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000638074376 406555841 /nfs/dbraw/zinc/55/58/41/406555841.db2.gz MDCKXTXSQAHGOB-ZWKOTPCHSA-N 1 3 313.445 2.157 10 0 DEAEHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000638100759 406569975 /nfs/dbraw/zinc/56/99/75/406569975.db2.gz NONBZMSWRHRCTM-QGZVFWFLSA-N 1 3 313.445 2.157 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000572256161 406633810 /nfs/dbraw/zinc/63/38/10/406633810.db2.gz CQWNFLYYVDTHNO-BPQIPLTHSA-N 1 3 315.461 2.107 10 0 DEAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000572256161 406633816 /nfs/dbraw/zinc/63/38/16/406633816.db2.gz CQWNFLYYVDTHNO-BPQIPLTHSA-N 1 3 315.461 2.107 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000173860828 287220941 /nfs/dbraw/zinc/22/09/41/287220941.db2.gz WUUHZXXCNAUQHC-GVDBMIGSSA-N 1 3 322.497 2.129 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000173860828 287220943 /nfs/dbraw/zinc/22/09/43/287220943.db2.gz WUUHZXXCNAUQHC-GVDBMIGSSA-N 1 3 322.497 2.129 10 0 DEAEHO [NH3+]C1CCN([C@H]2CCN(CCSc3ccccc3)C2)CC1 ZINC000130806834 196111637 /nfs/dbraw/zinc/11/16/37/196111637.db2.gz UOWYJZUQEGBWCT-INIZCTEOSA-N 1 3 305.491 2.276 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CN1Cc1ccccc1 ZINC000398035623 424922601 /nfs/dbraw/zinc/92/26/01/424922601.db2.gz PNNWLXKYOXANKM-IWCVFHTOSA-N 1 3 315.461 2.283 10 0 DEAEHO CN[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381841 425591173 /nfs/dbraw/zinc/59/11/73/425591173.db2.gz MXBRDCXHIBNKPN-WBVHZDCISA-N 1 3 315.461 2.013 10 0 DEAEHO CN[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381841 425591180 /nfs/dbraw/zinc/59/11/80/425591180.db2.gz MXBRDCXHIBNKPN-WBVHZDCISA-N 1 3 315.461 2.013 10 0 DEAEHO CN[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659381837 425591199 /nfs/dbraw/zinc/59/11/99/425591199.db2.gz MXBRDCXHIBNKPN-NVXWUHKLSA-N 1 3 315.461 2.013 10 0 DEAEHO CN[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659381837 425591203 /nfs/dbraw/zinc/59/12/03/425591203.db2.gz MXBRDCXHIBNKPN-NVXWUHKLSA-N 1 3 315.461 2.013 10 0 DEAEHO CC(=O)[C@@](C)(O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450494473 277097525 /nfs/dbraw/zinc/09/75/25/277097525.db2.gz MAQOLAFSNRQDSE-YJBOKZPZSA-N 1 3 310.482 2.303 10 0 DEAEHO CC(=O)[C@@](C)(O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494473 277097526 /nfs/dbraw/zinc/09/75/26/277097526.db2.gz MAQOLAFSNRQDSE-YJBOKZPZSA-N 1 3 310.482 2.303 10 0 DEAEHO CCC[C@](C)([NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309738541 625548562 /nfs/dbraw/zinc/54/85/62/625548562.db2.gz VDAOSVVSDRHDJX-WMZOPIPTSA-N 1 3 303.450 2.237 10 0 DEAEHO CCN(C[C@@H](O)C[NH+]1CCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399492 647473545 /nfs/dbraw/zinc/47/35/45/647473545.db2.gz KTPGSOYGSOWMBY-AEFFLSMTSA-N 1 3 320.477 2.405 10 0 DEAEHO [NH3+][C@H](CC1CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379659456 685393168 /nfs/dbraw/zinc/39/31/68/685393168.db2.gz ARYYMYQGYZXCJF-QZTJIDSGSA-N 1 3 315.461 2.285 10 0 DEAEHO NC(=[NH2+])c1cc(OCCN2CCCC2)ccc1C(F)(F)F ZINC000164323748 186155969 /nfs/dbraw/zinc/15/59/69/186155969.db2.gz HPVNKRMINSKEJT-UHFFFAOYSA-N 1 3 301.312 2.464 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000382727582 540123360 /nfs/dbraw/zinc/12/33/60/540123360.db2.gz WCJZPFPPVDQKOQ-FUHWJXTLSA-N 1 3 317.477 2.483 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000398065393 540140598 /nfs/dbraw/zinc/14/05/98/540140598.db2.gz HLLNVASRKYBADY-HOCLYGCPSA-N 1 3 301.434 2.037 10 0 DEAEHO C[C@H](C[NH2+]C1CCN(CCN(C)C)CC1)Cc1ccccc1 ZINC000182052319 356107068 /nfs/dbraw/zinc/10/70/68/356107068.db2.gz UXHZFPLDDVZRJD-KRWDZBQOSA-N 1 3 303.494 2.481 10 0 DEAEHO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381617207 356672115 /nfs/dbraw/zinc/67/21/15/356672115.db2.gz ZGSOJPMGACQASU-QGZVFWFLSA-N 1 3 303.450 2.107 10 0 DEAEHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000359667815 283338292 /nfs/dbraw/zinc/33/82/92/283338292.db2.gz PWKAWYKJCMXOSB-IRXDYDNUSA-N 1 3 307.482 2.195 10 0 DEAEHO c1ccc(COCCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591592 367266411 /nfs/dbraw/zinc/26/64/11/367266411.db2.gz KGDAALNBIRSTGP-LJQANCHMSA-N 1 3 318.461 2.294 10 0 DEAEHO CCCN(CC[NH+](C)C)c1nc(C(F)(F)F)ccc1CN ZINC000094334245 193360478 /nfs/dbraw/zinc/36/04/78/193360478.db2.gz WYRYNZVOUYTOEP-UHFFFAOYSA-N 1 3 304.360 2.337 10 0 DEAEHO [NH3+]CCCCN1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094051882 193341842 /nfs/dbraw/zinc/34/18/42/193341842.db2.gz YOKRZMMXJGGNHA-UHFFFAOYSA-N 1 3 300.809 2.125 10 0 DEAEHO C[NH2+][C@@H](CN(C)CCN(C)C)c1cccc(C(F)(F)F)c1 ZINC000111134730 194394777 /nfs/dbraw/zinc/39/47/77/194394777.db2.gz CHPXNTXXEJFNSY-AWEZNQCLSA-N 1 3 303.372 2.459 10 0 DEAEHO CN(C)CCN(C)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000111132478 194394657 /nfs/dbraw/zinc/39/46/57/194394657.db2.gz CLFUNRXIRHGJBO-LBPRGKRZSA-N 1 3 305.344 2.078 10 0 DEAEHO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCN(C)C ZINC000111129683 194393152 /nfs/dbraw/zinc/39/31/52/194393152.db2.gz LWGGCDXBZLZXDO-BXUZGUMPSA-N 1 3 314.271 2.331 10 0 DEAEHO CN1CC[C@@H]2[C@@H](C[C@H](C[NH+]3CCCC3)N2c2nccs2)C1 ZINC000248148468 257108547 /nfs/dbraw/zinc/10/85/47/257108547.db2.gz SMOMDICIHTXCCV-RRFJBIMHSA-N 1 3 306.479 2.138 10 0 DEAEHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000362721932 133247999 /nfs/dbraw/zinc/24/79/99/133247999.db2.gz DCQRJNWSCFYMMS-QGZVFWFLSA-N 1 3 309.498 2.489 10 0 DEAEHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000362721932 133248000 /nfs/dbraw/zinc/24/80/00/133248000.db2.gz DCQRJNWSCFYMMS-QGZVFWFLSA-N 1 3 309.498 2.489 10 0 DEAEHO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](N)c1ccccc1 ZINC000261881984 145236621 /nfs/dbraw/zinc/23/66/21/145236621.db2.gz UJCJKDFJKPSCEF-HYMJZGCSSA-N 1 3 301.434 2.064 10 0 DEAEHO COCC[C@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374230949 148221231 /nfs/dbraw/zinc/22/12/31/148221231.db2.gz OLNKXLSUAVSEEG-MKXGPGLRSA-N 1 3 318.461 2.169 10 0 DEAEHO COCC[C@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374230949 148221234 /nfs/dbraw/zinc/22/12/34/148221234.db2.gz OLNKXLSUAVSEEG-MKXGPGLRSA-N 1 3 318.461 2.169 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085362900 401914479 /nfs/dbraw/zinc/91/44/79/401914479.db2.gz ATRZJDNPSJNUJR-HUUCEWRRSA-N 1 3 314.518 2.238 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000048215935 401995964 /nfs/dbraw/zinc/99/59/64/401995964.db2.gz RRFYQRNKAXHZHU-NVXWUHKLSA-N 1 3 320.481 2.319 10 0 DEAEHO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000108894867 402263816 /nfs/dbraw/zinc/26/38/16/402263816.db2.gz WVTHAMUXIRQZSP-XHSDSOJGSA-N 1 3 307.482 2.335 10 0 DEAEHO C[N@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903275 402210578 /nfs/dbraw/zinc/21/05/78/402210578.db2.gz ACZHZSWPWYPALC-GOSISDBHSA-N 1 3 320.477 2.135 10 0 DEAEHO C[N@@H+](CC1CCN(C[C@@H](O)c2ccccc2)CC1)CC(C)(C)O ZINC000105903275 402210579 /nfs/dbraw/zinc/21/05/79/402210579.db2.gz ACZHZSWPWYPALC-GOSISDBHSA-N 1 3 320.477 2.135 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)C ZINC000162676336 402428191 /nfs/dbraw/zinc/42/81/91/402428191.db2.gz VNLVIJMMPCXJIH-DJIMGWMZSA-N 1 3 307.482 2.192 10 0 DEAEHO CCC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)C ZINC000162676336 402428192 /nfs/dbraw/zinc/42/81/92/402428192.db2.gz VNLVIJMMPCXJIH-DJIMGWMZSA-N 1 3 307.482 2.192 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246383547 402528104 /nfs/dbraw/zinc/52/81/04/402528104.db2.gz IMGFBEGYCBZNKL-IKGGRYGDSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000246383547 402528105 /nfs/dbraw/zinc/52/81/05/402528105.db2.gz IMGFBEGYCBZNKL-IKGGRYGDSA-N 1 3 324.513 2.090 10 0 DEAEHO CC(C)[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829531 402530425 /nfs/dbraw/zinc/53/04/25/402530425.db2.gz CUPVABOXSIMKQD-DLBZAZTESA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCC1 ZINC000248489737 402593106 /nfs/dbraw/zinc/59/31/06/402593106.db2.gz NCVZOYDRTZXAPJ-GVDBMIGSSA-N 1 3 324.513 2.375 10 0 DEAEHO CC(C)[C@](C)(O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248580038 402596758 /nfs/dbraw/zinc/59/67/58/402596758.db2.gz VMTGZMMLOZPTIN-JFIYKMOQSA-N 1 3 312.498 2.215 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000252537926 402658467 /nfs/dbraw/zinc/65/84/67/402658467.db2.gz BVUQGZAQZXJXDB-DOTOQJQBSA-N 1 3 324.513 2.375 10 0 DEAEHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000172608196 402666170 /nfs/dbraw/zinc/66/61/70/402666170.db2.gz ZEEFEJRALYSKEX-QGZVFWFLSA-N 1 3 322.497 2.132 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000193134318 402766599 /nfs/dbraw/zinc/76/65/99/402766599.db2.gz VFHFTKGCHAPJJB-MRXNPFEDSA-N 1 3 312.502 2.135 10 0 DEAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309702697 403961889 /nfs/dbraw/zinc/96/18/89/403961889.db2.gz GTJVSIVCGPOZQT-ZWKOTPCHSA-N 1 3 315.461 2.109 10 0 DEAEHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852533 405715453 /nfs/dbraw/zinc/71/54/53/405715453.db2.gz YCYNIYOTFCVOAY-SJLPKXTDSA-N 1 3 317.477 2.403 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638119774 406581038 /nfs/dbraw/zinc/58/10/38/406581038.db2.gz VTAQFYFIKLUILD-OLMNPRSZSA-N 1 3 313.445 2.061 10 0 DEAEHO CC(C)(CNC(=O)N1CCCN(C2CC2)CC1)[NH+]1CCCCC1 ZINC000194651844 277300230 /nfs/dbraw/zinc/30/02/30/277300230.db2.gz QNYVKJSIWIZDAI-UHFFFAOYSA-N 1 3 322.497 2.131 10 0 DEAEHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125292 278341522 /nfs/dbraw/zinc/34/15/22/278341522.db2.gz DLPSQPQGQAEKER-NVXWUHKLSA-N 1 3 324.509 2.407 10 0 DEAEHO CC(C)(C)[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000367125292 278341523 /nfs/dbraw/zinc/34/15/23/278341523.db2.gz DLPSQPQGQAEKER-NVXWUHKLSA-N 1 3 324.509 2.407 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000358108318 535447766 /nfs/dbraw/zinc/44/77/66/535447766.db2.gz VRQQEYGSMWDWFN-HNNXBMFYSA-N 1 3 322.497 2.058 10 0 DEAEHO CN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261550898 535975843 /nfs/dbraw/zinc/97/58/43/535975843.db2.gz PXDNIBWVWWABJR-FUHWJXTLSA-N 1 3 315.461 2.109 10 0 DEAEHO CC(C)(C)OC(=O)NC/C=C\CNC1CC[NH+](C2CC2)CC1 ZINC000310008657 625391674 /nfs/dbraw/zinc/39/16/74/625391674.db2.gz JDKDKKAPAFNJEA-PLNGDYQASA-N 1 3 309.454 2.284 10 0 DEAEHO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000742242128 638054307 /nfs/dbraw/zinc/05/43/07/638054307.db2.gz SGTJWOOEGSWXIV-INIZCTEOSA-N 1 3 315.461 2.497 10 0 DEAEHO C[C@H]1CCC[N@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000742242128 638054311 /nfs/dbraw/zinc/05/43/11/638054311.db2.gz SGTJWOOEGSWXIV-INIZCTEOSA-N 1 3 315.461 2.497 10 0 DEAEHO CC(C)(C)OC(=O)N1CCC[C@@H]1CNCCC[NH+]1CCCC1 ZINC000232500057 646810469 /nfs/dbraw/zinc/81/04/69/646810469.db2.gz SCEJZDKSHWLKEC-OAHLLOKOSA-N 1 3 311.470 2.461 10 0 DEAEHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]CCCN1CCCC1 ZINC000232500057 646810473 /nfs/dbraw/zinc/81/04/73/646810473.db2.gz SCEJZDKSHWLKEC-OAHLLOKOSA-N 1 3 311.470 2.461 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261545473 646981136 /nfs/dbraw/zinc/98/11/36/646981136.db2.gz KBSKPSJORUVOTR-WBVHZDCISA-N 1 3 303.450 2.155 10 0 DEAEHO Cc1cc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nc(N)n1 ZINC000397915447 790230845 /nfs/dbraw/zinc/23/08/45/790230845.db2.gz GMYHMLXELQMUBR-GOSISDBHSA-N 1 3 311.433 2.086 10 0 DEAEHO Cc1cc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)nc(N)n1 ZINC000397915447 790230846 /nfs/dbraw/zinc/23/08/46/790230846.db2.gz GMYHMLXELQMUBR-GOSISDBHSA-N 1 3 311.433 2.086 10 0 DEAEHO C[C@H](NCc1cn(C)nc1Br)C1CC[NH+](C)CC1 ZINC000712427140 792187434 /nfs/dbraw/zinc/18/74/34/792187434.db2.gz VYPGTEDJSAFAHQ-JTQLQIEISA-N 1 3 315.259 2.003 10 0 DEAEHO COCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619790 792978498 /nfs/dbraw/zinc/97/84/98/792978498.db2.gz HWCXXLAXXNRPHY-OKYOBFRVSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@H](CCO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619641 792979581 /nfs/dbraw/zinc/97/95/81/792979581.db2.gz GMHMIQFDRWBCAR-OKYOBFRVSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@H](CCO)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619641 792979588 /nfs/dbraw/zinc/97/95/88/792979588.db2.gz GMHMIQFDRWBCAR-OKYOBFRVSA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716619641 792979598 /nfs/dbraw/zinc/97/95/98/792979598.db2.gz GMHMIQFDRWBCAR-OKYOBFRVSA-N 1 3 318.461 2.027 10 0 DEAEHO CC(C)OCCCN1Cc2ccc(CN(C)C)cc2[C@H]1C[NH3+] ZINC000071683829 191006915 /nfs/dbraw/zinc/00/69/15/191006915.db2.gz KEOJOCLXVZPUDG-GOSISDBHSA-N 1 3 305.466 2.379 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000172179143 198052530 /nfs/dbraw/zinc/05/25/30/198052530.db2.gz JWLBDBMIPHLSKL-CABCVRRESA-N 1 3 312.502 2.136 10 0 DEAEHO CN1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccccc1 ZINC000333523202 539962377 /nfs/dbraw/zinc/96/23/77/539962377.db2.gz GXEQXQMKQKFJQI-BACDZXNISA-N 1 3 316.449 2.001 10 0 DEAEHO CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000130513429 355843234 /nfs/dbraw/zinc/84/32/34/355843234.db2.gz LCQJOLZDOXXZGA-NPYXIHBLSA-N 1 3 301.434 2.036 10 0 DEAEHO CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000130513429 355843240 /nfs/dbraw/zinc/84/32/40/355843240.db2.gz LCQJOLZDOXXZGA-NPYXIHBLSA-N 1 3 301.434 2.036 10 0 DEAEHO CN(C)C(=O)Nc1cccc(C2CCN(CCC[NH3+])CC2)c1 ZINC000140292939 355884659 /nfs/dbraw/zinc/88/46/59/355884659.db2.gz YEFYICJCEBMLOD-UHFFFAOYSA-N 1 3 304.438 2.308 10 0 DEAEHO CN(CC[C@@H]1C[NH2+]CCO1)Cc1csc(Br)c1 ZINC000091313902 193037769 /nfs/dbraw/zinc/03/77/69/193037769.db2.gz XCXUFJWSQPVBKB-LLVKDONJSA-N 1 3 319.268 2.321 10 0 DEAEHO CCC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000093065230 193199519 /nfs/dbraw/zinc/19/95/19/193199519.db2.gz YLZKWRAGMOSENR-KRWDZBQOSA-N 1 3 318.465 2.145 10 0 DEAEHO CC(C)[NH2+]CC1CCN([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644251 193389801 /nfs/dbraw/zinc/38/98/01/193389801.db2.gz BDHQJXWZOWCELT-HZPDHXFCSA-N 1 3 316.511 2.052 10 0 DEAEHO CCC[NH2+][C@H]1[C@H](CN(C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430074 193368597 /nfs/dbraw/zinc/36/85/97/193368597.db2.gz JXNUJKVLOXHSGV-KBPBESRZSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430074 193368598 /nfs/dbraw/zinc/36/85/98/193368598.db2.gz JXNUJKVLOXHSGV-KBPBESRZSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@H]1[C@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430074 193368599 /nfs/dbraw/zinc/36/85/99/193368599.db2.gz JXNUJKVLOXHSGV-KBPBESRZSA-N 1 3 300.487 2.261 10 0 DEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1CC[NH2+]CCc1cccs1 ZINC000094443938 193370325 /nfs/dbraw/zinc/37/03/25/193370325.db2.gz FMRIQFDEAYDQOG-HZPDHXFCSA-N 1 3 307.507 2.439 10 0 DEAEHO CC1(C)CCSC[C@]1(C[NH3+])N1CC[C@H](N2CCCCC2)C1 ZINC000094484316 193372284 /nfs/dbraw/zinc/37/22/84/193372284.db2.gz NEDHKFFJPMSARB-RDJZCZTQSA-N 1 3 311.539 2.407 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246410877 285257672 /nfs/dbraw/zinc/25/76/72/285257672.db2.gz SAGFMAHGHWERFH-ZACQAIPSSA-N 1 3 322.497 2.127 10 0 DEAEHO CCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246410877 285257674 /nfs/dbraw/zinc/25/76/74/285257674.db2.gz SAGFMAHGHWERFH-ZACQAIPSSA-N 1 3 322.497 2.127 10 0 DEAEHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000360671544 133194386 /nfs/dbraw/zinc/19/43/86/133194386.db2.gz LHMHLZLIKKJXCC-APWZRJJASA-N 1 3 315.461 2.411 10 0 DEAEHO Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cn1 ZINC000247130680 145127129 /nfs/dbraw/zinc/12/71/29/145127129.db2.gz RRZPMXBFGSTBGZ-CKEIUWERSA-N 1 3 313.449 2.394 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000248828809 145169322 /nfs/dbraw/zinc/16/93/22/145169322.db2.gz APXBVRKYRCBVTB-ZMSDIMECSA-N 1 3 303.450 2.283 10 0 DEAEHO C[C@H](NCCC[NH3+])c1ccc(I)cc1 ZINC000037713731 401916403 /nfs/dbraw/zinc/91/64/03/401916403.db2.gz GYWHQHVXHOLYMX-VIFPVBQESA-N 1 3 304.175 2.291 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000152373989 402092761 /nfs/dbraw/zinc/09/27/61/402092761.db2.gz HRGUUVRGYQXOKK-IXDOHACOSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000152373989 402092762 /nfs/dbraw/zinc/09/27/62/402092762.db2.gz HRGUUVRGYQXOKK-IXDOHACOSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H]1CN(C2CCN(CCC[NH+]3CCCCC3)CC2)CCO1 ZINC000125150184 402216319 /nfs/dbraw/zinc/21/63/19/402216319.db2.gz WQEHCWZYCZKTCK-KRWDZBQOSA-N 1 3 309.498 2.048 10 0 DEAEHO COCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862927 402210004 /nfs/dbraw/zinc/21/00/04/402210004.db2.gz BUEDXQBMHOSECH-IBGZPJMESA-N 1 3 320.477 2.400 10 0 DEAEHO COCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105862927 402210005 /nfs/dbraw/zinc/21/00/05/402210005.db2.gz BUEDXQBMHOSECH-IBGZPJMESA-N 1 3 320.477 2.400 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000177507633 402410505 /nfs/dbraw/zinc/41/05/05/402410505.db2.gz TVRLHDLJOQNBAF-GVDBMIGSSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000177507633 402410506 /nfs/dbraw/zinc/41/05/06/402410506.db2.gz TVRLHDLJOQNBAF-GVDBMIGSSA-N 1 3 324.513 2.233 10 0 DEAEHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)C1 ZINC000186269245 402416580 /nfs/dbraw/zinc/41/65/80/402416580.db2.gz STNRJEWECLGBEN-ZACQAIPSSA-N 1 3 310.482 2.282 10 0 DEAEHO CN(C)Cc1cccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000186527069 402438992 /nfs/dbraw/zinc/43/89/92/402438992.db2.gz QGDXSZGUJHKAAV-MRXNPFEDSA-N 1 3 301.434 2.105 10 0 DEAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000245399077 402455775 /nfs/dbraw/zinc/45/57/75/402455775.db2.gz VNEMZNUDEVWKOF-DOTOQJQBSA-N 1 3 320.481 2.319 10 0 DEAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000245399077 402455777 /nfs/dbraw/zinc/45/57/77/402455777.db2.gz VNEMZNUDEVWKOF-DOTOQJQBSA-N 1 3 320.481 2.319 10 0 DEAEHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)CC(C)C ZINC000247371089 402565685 /nfs/dbraw/zinc/56/56/85/402565685.db2.gz FCPRKSMDZKAHLZ-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000246185528 402517076 /nfs/dbraw/zinc/51/70/76/402517076.db2.gz MCXGQCXQFZQYGV-GVDBMIGSSA-N 1 3 324.513 2.231 10 0 DEAEHO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCC(C)CC1 ZINC000246185528 402517077 /nfs/dbraw/zinc/51/70/77/402517077.db2.gz MCXGQCXQFZQYGV-GVDBMIGSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246406466 402529266 /nfs/dbraw/zinc/52/92/66/402529266.db2.gz LQPBHMDPEGZRNY-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246406466 402529268 /nfs/dbraw/zinc/52/92/68/402529268.db2.gz LQPBHMDPEGZRNY-GVDBMIGSSA-N 1 3 324.513 2.088 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000246438668 402531226 /nfs/dbraw/zinc/53/12/26/402531226.db2.gz UBGAQOAQYZWPQZ-RDJZCZTQSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H](CCNC(=O)NCCN1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000248373933 402588497 /nfs/dbraw/zinc/58/84/97/402588497.db2.gz MPTUJLPBZBKFCZ-SJORKVTESA-N 1 3 324.513 2.425 10 0 DEAEHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000262653735 402729034 /nfs/dbraw/zinc/72/90/34/402729034.db2.gz BODAKCGCSAJPOB-JCGIZDLHSA-N 1 3 317.477 2.313 10 0 DEAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333331886 403726830 /nfs/dbraw/zinc/72/68/30/403726830.db2.gz WIHQMBKWZIVUBD-VSPZMHAVSA-N 1 3 313.445 2.407 10 0 DEAEHO C([C@H]1CCOC1)N1CCCC2(CCC[N@H+](C[C@H]3CCOC3)C2)C1 ZINC000351998710 404065841 /nfs/dbraw/zinc/06/58/41/404065841.db2.gz XVOUXMJZMARCPG-PWCSWUJKSA-N 1 3 322.493 2.237 10 0 DEAEHO C([C@H]1CCOC1)N1CCCC2(CCC[N@@H+](C[C@H]3CCOC3)C2)C1 ZINC000351998710 404065850 /nfs/dbraw/zinc/06/58/50/404065850.db2.gz XVOUXMJZMARCPG-PWCSWUJKSA-N 1 3 322.493 2.237 10 0 DEAEHO C[NH2+][C@H](C)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851510 405713633 /nfs/dbraw/zinc/71/36/33/405713633.db2.gz NHNFTPHXOCRCSN-NVXWUHKLSA-N 1 3 303.450 2.155 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)CCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000638103174 406571415 /nfs/dbraw/zinc/57/14/15/406571415.db2.gz LJHKHMCZCPTNHI-CRAIPNDOSA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000397517737 269106717 /nfs/dbraw/zinc/10/67/17/269106717.db2.gz STEMERCBZJLNCK-AEFFLSMTSA-N 1 3 318.461 2.171 10 0 DEAEHO C[C@@H]1CSC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397507073 269106742 /nfs/dbraw/zinc/10/67/42/269106742.db2.gz JTRXPFAQPCTNGG-WBVHZDCISA-N 1 3 320.502 2.355 10 0 DEAEHO CCN(C(=O)C[C@H](C)[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261783629 535669604 /nfs/dbraw/zinc/66/96/04/535669604.db2.gz BOEMMJLWFXWMBU-ZOBUZTSGSA-N 1 3 303.450 2.408 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261545470 646981207 /nfs/dbraw/zinc/98/12/07/646981207.db2.gz KBSKPSJORUVOTR-DOTOQJQBSA-N 1 3 303.450 2.155 10 0 DEAEHO Cc1cc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N)n1 ZINC000398134338 790248822 /nfs/dbraw/zinc/24/88/22/790248822.db2.gz UKGYQVLPGOLXIT-MRXNPFEDSA-N 1 3 313.449 2.188 10 0 DEAEHO Cc1cc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(N)n1 ZINC000398134338 790248827 /nfs/dbraw/zinc/24/88/27/790248827.db2.gz UKGYQVLPGOLXIT-MRXNPFEDSA-N 1 3 313.449 2.188 10 0 DEAEHO O[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716639005 792981978 /nfs/dbraw/zinc/98/19/78/792981978.db2.gz RENVAPBMPSSGPP-WZGPROSRSA-N 1 3 300.446 2.400 10 0 DEAEHO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000711250975 1087036086 /nfs/dbraw/zinc/03/60/86/1087036086.db2.gz OSNPMDRUGFTVEL-SJORKVTESA-N 1 3 315.461 2.013 10 0 DEAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000170855494 282199314 /nfs/dbraw/zinc/19/93/14/282199314.db2.gz HVMBEFWYHAZBJH-ZWKOTPCHSA-N 1 3 315.461 2.061 10 0 DEAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000170855494 282199317 /nfs/dbraw/zinc/19/93/17/282199317.db2.gz HVMBEFWYHAZBJH-ZWKOTPCHSA-N 1 3 315.461 2.061 10 0 DEAEHO C[N@H+](Cc1ccc(Br)cc1)C[C@]1(C)COC[C@@H]1N ZINC000090606691 185306381 /nfs/dbraw/zinc/30/63/81/185306381.db2.gz JNHFOMPYSYEHHB-UONOGXRCSA-N 1 3 313.239 2.245 10 0 DEAEHO C[N@@H+](Cc1ccc(Br)cc1)C[C@]1(C)COC[C@@H]1N ZINC000090606691 185306382 /nfs/dbraw/zinc/30/63/82/185306382.db2.gz JNHFOMPYSYEHHB-UONOGXRCSA-N 1 3 313.239 2.245 10 0 DEAEHO CCC(CC)[C@H](CNC(=O)[C@@H](N)CCSC)[NH+]1CCCC1 ZINC000164388703 186158055 /nfs/dbraw/zinc/15/80/55/186158055.db2.gz SQBAFFZUESDSRJ-GJZGRUSLSA-N 1 3 315.527 2.084 10 0 DEAEHO CCN1CCN(CCC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182075136 199383495 /nfs/dbraw/zinc/38/34/95/199383495.db2.gz UZFCPENUVYHULS-SFHVURJKSA-N 1 3 303.494 2.482 10 0 DEAEHO OC[C@H]1C[N@@H+](C2CCC2)CC12CCN(Cc1ccncc1)CC2 ZINC000169782456 355982575 /nfs/dbraw/zinc/98/25/75/355982575.db2.gz LLGALHSVMASNGU-QGZVFWFLSA-N 1 3 315.461 2.140 10 0 DEAEHO OC[C@H]1C[N@H+](C2CCC2)CC12CCN(Cc1ccncc1)CC2 ZINC000169782456 355982577 /nfs/dbraw/zinc/98/25/77/355982577.db2.gz LLGALHSVMASNGU-QGZVFWFLSA-N 1 3 315.461 2.140 10 0 DEAEHO CCCN1CCC(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182830795 356147779 /nfs/dbraw/zinc/14/77/79/356147779.db2.gz VDJCQYIHZJPOCQ-HZPDHXFCSA-N 1 3 316.511 2.054 10 0 DEAEHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399548404 283153413 /nfs/dbraw/zinc/15/34/13/283153413.db2.gz BJLQOIJCTRWXBC-HLLBOEOZSA-N 1 3 305.466 2.243 10 0 DEAEHO C[NH+](C)[C@@H]1CCCN([C@@H](CN)c2ccc(Br)o2)C1 ZINC000091392536 193049948 /nfs/dbraw/zinc/04/99/48/193049948.db2.gz QLBLSRSAPNLIPK-MNOVXSKESA-N 1 3 316.243 2.068 10 0 DEAEHO COc1ccc(Cl)cc1C[C@H](N)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720256 193097332 /nfs/dbraw/zinc/09/73/32/193097332.db2.gz YTPZWOCGMVCIEA-IJEWVQPXSA-N 1 3 310.825 2.082 10 0 DEAEHO COc1ccc(Cl)cc1C[C@H](N)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720256 193097333 /nfs/dbraw/zinc/09/73/33/193097333.db2.gz YTPZWOCGMVCIEA-IJEWVQPXSA-N 1 3 310.825 2.082 10 0 DEAEHO C[NH2+]C1CCC(N(C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000091873057 193120819 /nfs/dbraw/zinc/12/08/19/193120819.db2.gz QQEPZMYYXIXLQA-UHFFFAOYSA-N 1 3 310.829 2.136 10 0 DEAEHO CCCN[C@@]1(CO)CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093782960 193307178 /nfs/dbraw/zinc/30/71/78/193307178.db2.gz XGYWVPLAKISYGJ-IRXDYDNUSA-N 1 3 300.487 2.264 10 0 DEAEHO CCCN[C@@]1(CO)CCC[C@H]([N@@H+](CCOC)CC(C)C)C1 ZINC000093782960 193307180 /nfs/dbraw/zinc/30/71/80/193307180.db2.gz XGYWVPLAKISYGJ-IRXDYDNUSA-N 1 3 300.487 2.264 10 0 DEAEHO CCC[NH2+][C@@]1(CO)CCC[C@H](N(CCOC)CC(C)C)C1 ZINC000093782960 193307183 /nfs/dbraw/zinc/30/71/83/193307183.db2.gz XGYWVPLAKISYGJ-IRXDYDNUSA-N 1 3 300.487 2.264 10 0 DEAEHO CC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[C@@](CO)(NC(C)C)C1 ZINC000093783254 193307878 /nfs/dbraw/zinc/30/78/78/193307878.db2.gz UYBHYYNFVQIPQS-GVDBMIGSSA-N 1 3 300.487 2.405 10 0 DEAEHO CC[C@H](C)[N@@H+](CCOC)[C@@H]1CCC[C@@](CO)(NC(C)C)C1 ZINC000093783254 193307880 /nfs/dbraw/zinc/30/78/80/193307880.db2.gz UYBHYYNFVQIPQS-GVDBMIGSSA-N 1 3 300.487 2.405 10 0 DEAEHO CC[C@H](C)N(CCOC)[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093783254 193307882 /nfs/dbraw/zinc/30/78/82/193307882.db2.gz UYBHYYNFVQIPQS-GVDBMIGSSA-N 1 3 300.487 2.405 10 0 DEAEHO C[NH+](C)C(C)(C)COc1ncc(Br)cc1CN ZINC000093955339 193332390 /nfs/dbraw/zinc/33/23/90/193332390.db2.gz JERVKPOHHAIZPQ-UHFFFAOYSA-N 1 3 302.216 2.022 10 0 DEAEHO CCC[NH2+]CC1CCN([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644245 193389365 /nfs/dbraw/zinc/38/93/65/193389365.db2.gz SMARNZWVVMWLNM-CVEARBPZSA-N 1 3 316.511 2.054 10 0 DEAEHO CN1CCC(Oc2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)CC1 ZINC000041019241 183157011 /nfs/dbraw/zinc/15/70/11/183157011.db2.gz NLPOCQQUFQGLMX-UHFFFAOYSA-N 1 3 301.312 2.462 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183730663 296311824 /nfs/dbraw/zinc/31/18/24/296311824.db2.gz HQQKKJJKUFXMMA-MRXNPFEDSA-N 1 3 324.513 2.282 10 0 DEAEHO CC[C@H]1CN(c2cc(Br)ccc2C[NH3+])CCN1C ZINC000110730707 194355171 /nfs/dbraw/zinc/35/51/71/194355171.db2.gz HVYMNMPSSCLVLN-ZDUSSCGKSA-N 1 3 312.255 2.438 10 0 DEAEHO C[NH2+][C@H]1CCCc2nc(N3CC[C@H](N4CCCC4)C3)sc21 ZINC000062975182 184263652 /nfs/dbraw/zinc/26/36/52/184263652.db2.gz XBZHSLJKVMJECR-STQMWFEESA-N 1 3 306.479 2.414 10 0 DEAEHO O=C1NCCCC[C@@H]1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000120292842 195136696 /nfs/dbraw/zinc/13/66/96/195136696.db2.gz FCSVBJRQOCPEDF-KRWDZBQOSA-N 1 3 307.482 2.243 10 0 DEAEHO CNCc1cccc(Br)c1OCCC[NH+](C)C ZINC000122008125 195388768 /nfs/dbraw/zinc/38/87/68/195388768.db2.gz LPQLJTRYNHOTRS-UHFFFAOYSA-N 1 3 301.228 2.499 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000360416878 133180728 /nfs/dbraw/zinc/18/07/28/133180728.db2.gz NEUJDBTXWAEBPA-BZSNNMDCSA-N 1 3 311.514 2.055 10 0 DEAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246209727 145094873 /nfs/dbraw/zinc/09/48/73/145094873.db2.gz FTGWSRDQZZSSLS-RCCFBDPRSA-N 1 3 315.461 2.285 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248654628 145163497 /nfs/dbraw/zinc/16/34/97/145163497.db2.gz PPNNXKQBQLRZQZ-CGTJXYLNSA-N 1 3 310.482 2.113 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654628 145163498 /nfs/dbraw/zinc/16/34/98/145163498.db2.gz PPNNXKQBQLRZQZ-CGTJXYLNSA-N 1 3 310.482 2.113 10 0 DEAEHO C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[C@@H](N)c1ccccc1 ZINC000249120783 145179680 /nfs/dbraw/zinc/17/96/80/145179680.db2.gz POSBJYAAOPIRNN-YSVLISHTSA-N 1 3 301.434 2.066 10 0 DEAEHO O=C(c1ccc2c(c1)CNC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000261857885 145234861 /nfs/dbraw/zinc/23/48/61/145234861.db2.gz KEMJNYHLVVZKSF-UHFFFAOYSA-N 1 3 313.445 2.238 10 0 DEAEHO NCc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc(C(F)(F)F)c1 ZINC000263073624 145322526 /nfs/dbraw/zinc/32/25/26/145322526.db2.gz ZZHBZKFKJITNBH-ONGXEEELSA-N 1 3 301.312 2.230 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000048215931 401996093 /nfs/dbraw/zinc/99/60/93/401996093.db2.gz RRFYQRNKAXHZHU-WBVHZDCISA-N 1 3 320.481 2.319 10 0 DEAEHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237683629 402417936 /nfs/dbraw/zinc/41/79/36/402417936.db2.gz SZHZDJJEMNNOQC-COZGXFGHSA-N 1 3 321.509 2.390 10 0 DEAEHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]1Cn1ccnc1C ZINC000178304912 402482274 /nfs/dbraw/zinc/48/22/74/402482274.db2.gz YTUHVZFATBMZEQ-OFQRWUPVSA-N 1 3 306.454 2.349 10 0 DEAEHO Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)NCCC(C)C ZINC000178304833 402482326 /nfs/dbraw/zinc/48/23/26/402482326.db2.gz HTBYNHCDOQGFCI-HOCLYGCPSA-N 1 3 306.454 2.207 10 0 DEAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000179517198 402593219 /nfs/dbraw/zinc/59/32/19/402593219.db2.gz PTPGBEDAEOYPAT-CQSZACIVSA-N 1 3 322.497 2.232 10 0 DEAEHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN2CCC[C@H]2C1 ZINC000172608198 402666125 /nfs/dbraw/zinc/66/61/25/402666125.db2.gz ZEEFEJRALYSKEX-KRWDZBQOSA-N 1 3 322.497 2.132 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C)CCC1 ZINC000175005733 402770813 /nfs/dbraw/zinc/77/08/13/402770813.db2.gz OYDDSPHILNQRGO-INIZCTEOSA-N 1 3 324.513 2.234 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C)CCC1 ZINC000175005733 402770814 /nfs/dbraw/zinc/77/08/14/402770814.db2.gz OYDDSPHILNQRGO-INIZCTEOSA-N 1 3 324.513 2.234 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000193868715 402776986 /nfs/dbraw/zinc/77/69/86/402776986.db2.gz YSIBQJRRQRJERC-JKSUJKDBSA-N 1 3 324.513 2.280 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000193868715 402776987 /nfs/dbraw/zinc/77/69/87/402776987.db2.gz YSIBQJRRQRJERC-JKSUJKDBSA-N 1 3 324.513 2.280 10 0 DEAEHO CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000175959915 402844943 /nfs/dbraw/zinc/84/49/43/402844943.db2.gz FMWRZEGANACEQU-WBVHZDCISA-N 1 3 324.513 2.233 10 0 DEAEHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000184468879 402845537 /nfs/dbraw/zinc/84/55/37/402845537.db2.gz JGYSOZDBWGPERG-MRXNPFEDSA-N 1 3 312.502 2.234 10 0 DEAEHO CN1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccccc1 ZINC000333559164 403780245 /nfs/dbraw/zinc/78/02/45/403780245.db2.gz KPHOOXOTIZNUHT-VQHPVUNQSA-N 1 3 316.449 2.001 10 0 DEAEHO C(CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000374077158 404686882 /nfs/dbraw/zinc/68/68/82/404686882.db2.gz CGKOMKZMJKSLJY-USTZCAOPSA-N 1 3 308.466 2.273 10 0 DEAEHO C(CCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000374077158 404686885 /nfs/dbraw/zinc/68/68/85/404686885.db2.gz CGKOMKZMJKSLJY-USTZCAOPSA-N 1 3 308.466 2.273 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000389875882 405041031 /nfs/dbraw/zinc/04/10/31/405041031.db2.gz LRGIZRPCXBEQSR-LMSBXDPUSA-N 1 3 315.461 2.011 10 0 DEAEHO CN(C(=O)CCC1C[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000638100738 406570380 /nfs/dbraw/zinc/57/03/80/406570380.db2.gz NCPSHQQJTGNXEA-UHFFFAOYSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638119771 406580914 /nfs/dbraw/zinc/58/09/14/406580914.db2.gz VTAQFYFIKLUILD-JLSDUUJJSA-N 1 3 313.445 2.061 10 0 DEAEHO [NH3+]C1CCN([C@@H]2CCN(CCSc3ccccc3)C2)CC1 ZINC000130807081 196111898 /nfs/dbraw/zinc/11/18/98/196111898.db2.gz UOWYJZUQEGBWCT-MRXNPFEDSA-N 1 3 305.491 2.276 10 0 DEAEHO c1cc2c(cccc2CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000423117349 230357027 /nfs/dbraw/zinc/35/70/27/230357027.db2.gz VBBQTFDNJUHDHA-BHIYHBOVSA-N 1 3 313.445 2.457 10 0 DEAEHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCN1C)CC(C)C ZINC000195125314 424880236 /nfs/dbraw/zinc/88/02/36/424880236.db2.gz IEPHGTSYGUVWQW-HOTGVXAUSA-N 1 3 312.502 2.136 10 0 DEAEHO COC[C@@H](C)[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173682851 274041694 /nfs/dbraw/zinc/04/16/94/274041694.db2.gz RBKBBVWGKBPLFT-APWZRJJASA-N 1 3 320.477 2.399 10 0 DEAEHO COC[C@@H](C)[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173682851 274041695 /nfs/dbraw/zinc/04/16/95/274041695.db2.gz RBKBBVWGKBPLFT-APWZRJJASA-N 1 3 320.477 2.399 10 0 DEAEHO C[C@H](NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423060818 533879108 /nfs/dbraw/zinc/87/91/08/533879108.db2.gz JBKMMODPVROYLZ-IPELMVKDSA-N 1 3 301.478 2.485 10 0 DEAEHO CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237153791 637291286 /nfs/dbraw/zinc/29/12/86/637291286.db2.gz UWQUUCRAKBBCME-IRXDYDNUSA-N 1 3 303.450 2.094 10 0 DEAEHO O[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C1CC1 ZINC000716638994 792982334 /nfs/dbraw/zinc/98/23/34/792982334.db2.gz RENVAPBMPSSGPP-NQYYFHDYSA-N 1 3 300.446 2.400 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)CN1Cc1ccccc1 ZINC000711344635 1087069929 /nfs/dbraw/zinc/06/99/29/1087069929.db2.gz JLASIKYYWMVSDW-HYVNUMGLSA-N 1 3 315.461 2.011 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000173999247 282192225 /nfs/dbraw/zinc/19/22/25/282192225.db2.gz MWZOKDYKCCHBGS-GVDBMIGSSA-N 1 3 324.513 2.231 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000173999247 282192226 /nfs/dbraw/zinc/19/22/26/282192226.db2.gz MWZOKDYKCCHBGS-GVDBMIGSSA-N 1 3 324.513 2.231 10 0 DEAEHO CN(C[C@H]1CCC[N@@H+]1C)c1cc(Br)ccc1CN ZINC000092633060 185330501 /nfs/dbraw/zinc/33/05/01/185330501.db2.gz HVFKOFYUSRVFOS-CYBMUJFWSA-N 1 3 312.255 2.438 10 0 DEAEHO CN(C[C@H]1CCC[N@H+]1C)c1cc(Br)ccc1CN ZINC000092633060 185330502 /nfs/dbraw/zinc/33/05/02/185330502.db2.gz HVFKOFYUSRVFOS-CYBMUJFWSA-N 1 3 312.255 2.438 10 0 DEAEHO C[C@@H]1CCCCN1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193842391 282359104 /nfs/dbraw/zinc/35/91/04/282359104.db2.gz NOPWUAQWOCSBCZ-OAHLLOKOSA-N 1 3 324.513 2.423 10 0 DEAEHO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000155783805 186112629 /nfs/dbraw/zinc/11/26/29/186112629.db2.gz MGKRUQSEFZLKFH-HNNXBMFYSA-N 1 3 303.450 2.352 10 0 DEAEHO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(CN(C)C)c1 ZINC000155783805 186112631 /nfs/dbraw/zinc/11/26/31/186112631.db2.gz MGKRUQSEFZLKFH-HNNXBMFYSA-N 1 3 303.450 2.352 10 0 DEAEHO CC[NH+](CC)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)CC(C)C ZINC000171900003 198003537 /nfs/dbraw/zinc/00/35/37/198003537.db2.gz FCPRKSMDZKAHLZ-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO OC[C@@H]1CN(Cc2ccc(F)cc2Cl)CC12CC[NH2+]CC2 ZINC000169782189 355983125 /nfs/dbraw/zinc/98/31/25/355983125.db2.gz LGGRECNOAGEKEK-ZDUSSCGKSA-N 1 3 312.816 2.273 10 0 DEAEHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179152434 356015599 /nfs/dbraw/zinc/01/55/99/356015599.db2.gz VGZVNMNPEHEAOQ-DLBZAZTESA-N 1 3 318.465 2.071 10 0 DEAEHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179152434 356015603 /nfs/dbraw/zinc/01/56/03/356015603.db2.gz VGZVNMNPEHEAOQ-DLBZAZTESA-N 1 3 318.465 2.071 10 0 DEAEHO Cc1cc([C@H](C[NH3+])N(C)CCN(C)C)ccc1Br ZINC000091471161 193060175 /nfs/dbraw/zinc/06/01/75/193060175.db2.gz DPTVGMSSFMEZBG-AWEZNQCLSA-N 1 3 314.271 2.251 10 0 DEAEHO CCC[NH2+][C@@H]1[C@H](CN(C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430073 193369202 /nfs/dbraw/zinc/36/92/02/193369202.db2.gz JXNUJKVLOXHSGV-UONOGXRCSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@H](C[N@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430073 193369203 /nfs/dbraw/zinc/36/92/03/193369203.db2.gz JXNUJKVLOXHSGV-UONOGXRCSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@H](C[N@@H+](C)CC(C)(C)O)C(C)(C)OC1(C)C ZINC000094430073 193369205 /nfs/dbraw/zinc/36/92/05/193369205.db2.gz JXNUJKVLOXHSGV-UONOGXRCSA-N 1 3 300.487 2.261 10 0 DEAEHO CC(C)C[N@H+](CCN(C)C)[C@]1(CN)CSCC(C)(C)C1 ZINC000094489425 193374026 /nfs/dbraw/zinc/37/40/26/193374026.db2.gz NELNBYTXJFGQAY-MRXNPFEDSA-N 1 3 301.544 2.367 10 0 DEAEHO CC(C)C[N@@H+](CCN(C)C)[C@]1(CN)CSCC(C)(C)C1 ZINC000094489425 193374028 /nfs/dbraw/zinc/37/40/28/193374028.db2.gz NELNBYTXJFGQAY-MRXNPFEDSA-N 1 3 301.544 2.367 10 0 DEAEHO CC[NH+](CC)[C@H]1CCN(c2cc(C)nc(C)c2C(N)=S)C1 ZINC000156677181 197133437 /nfs/dbraw/zinc/13/34/37/197133437.db2.gz ZKHFWCUKTATXRI-ZDUSSCGKSA-N 1 3 306.479 2.253 10 0 DEAEHO C[C@@H]1CCC[C@](CNC(=O)CC2CCN(C)CC2)([NH+](C)C)C1 ZINC000362605753 133241567 /nfs/dbraw/zinc/24/15/67/133241567.db2.gz IIMSQWMJLZMZPI-QAPCUYQASA-N 1 3 309.498 2.345 10 0 DEAEHO CCN(Cc1ccccc1)C(=O)CN1CCC(CC[NH2+]C)CC1 ZINC000261551454 145206749 /nfs/dbraw/zinc/20/67/49/145206749.db2.gz QPQDDHWWERPXTB-UHFFFAOYSA-N 1 3 317.477 2.357 10 0 DEAEHO Cc1ncsc1CN(C)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262059098 145258111 /nfs/dbraw/zinc/25/81/11/145258111.db2.gz QYJPBRPALSFRRC-DOTOQJQBSA-N 1 3 322.522 2.205 10 0 DEAEHO C[C@H]1C[C@@H](C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000262361395 145279119 /nfs/dbraw/zinc/27/91/19/145279119.db2.gz KJFMCBYABJLNIR-ONGXEEELSA-N 1 3 315.339 2.491 10 0 DEAEHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763214 148053934 /nfs/dbraw/zinc/05/39/34/148053934.db2.gz HBLJMKFFOJRCMX-OKZBNKHCSA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@@H](CC1CC1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000112719602 401756410 /nfs/dbraw/zinc/75/64/10/401756410.db2.gz GTVNXARGHARVCC-AWEZNQCLSA-N 1 3 322.497 2.033 10 0 DEAEHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119094198 401925274 /nfs/dbraw/zinc/92/52/74/401925274.db2.gz MPJCYPSCVNETCH-AQFXKWCLSA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(F)cc(F)c2)CC1 ZINC000121082584 402013920 /nfs/dbraw/zinc/01/39/20/402013920.db2.gz FLLCKASCHDJIRJ-ZDUSSCGKSA-N 1 3 312.404 2.489 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@@H+]1C ZINC000123245315 402117763 /nfs/dbraw/zinc/11/77/63/402117763.db2.gz YYUSDMJJOANNJV-YOEHRIQHSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)CC[N@H+]1C ZINC000123245315 402117765 /nfs/dbraw/zinc/11/77/65/402117765.db2.gz YYUSDMJJOANNJV-YOEHRIQHSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1C1CC1 ZINC000122147663 402063686 /nfs/dbraw/zinc/06/36/86/402063686.db2.gz LFUKBRIIUKSAAX-LBDPXKHJSA-N 1 3 322.497 2.031 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000176331927 402300589 /nfs/dbraw/zinc/30/05/89/402300589.db2.gz KGDFCSPPYOOFSY-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000176331927 402300591 /nfs/dbraw/zinc/30/05/91/402300591.db2.gz KGDFCSPPYOOFSY-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@@H](C)C1 ZINC000237489568 402410119 /nfs/dbraw/zinc/41/01/19/402410119.db2.gz IUJZDQAGMBEBFJ-NRKLIOEPSA-N 1 3 307.482 2.144 10 0 DEAEHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCC2)C12CCOCC2 ZINC000186258777 402415354 /nfs/dbraw/zinc/41/53/54/402415354.db2.gz RLKOKSXXTOBOFH-IXDOHACOSA-N 1 3 310.482 2.282 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246962853 402550710 /nfs/dbraw/zinc/55/07/10/402550710.db2.gz JWLBDBMIPHLSKL-HUUCEWRRSA-N 1 3 312.502 2.136 10 0 DEAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247482213 402569000 /nfs/dbraw/zinc/56/90/00/402569000.db2.gz STNDPNAHEWOQOP-PBHICJAKSA-N 1 3 301.434 2.057 10 0 DEAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CN(C)C)cc1 ZINC000247482213 402569002 /nfs/dbraw/zinc/56/90/02/402569002.db2.gz STNDPNAHEWOQOP-PBHICJAKSA-N 1 3 301.434 2.057 10 0 DEAEHO CC(C)[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)[NH+]1CCC(C)CC1 ZINC000170829536 402530532 /nfs/dbraw/zinc/53/05/32/402530532.db2.gz CUPVABOXSIMKQD-IAGOWNOFSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182376047 402685118 /nfs/dbraw/zinc/68/51/18/402685118.db2.gz AVANSJHXFFACOW-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182376047 402685121 /nfs/dbraw/zinc/68/51/21/402685121.db2.gz AVANSJHXFFACOW-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO C[C@H]1C[C@@H](C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]1 ZINC000262358974 402725099 /nfs/dbraw/zinc/72/50/99/402725099.db2.gz IIBWFXMSFBIATE-SOUVJXGZSA-N 1 3 321.490 2.389 10 0 DEAEHO c1[nH]nc(-c2cccnc2)c1CNCCC[NH2+]Cc1cccnc1 ZINC000414880072 404756700 /nfs/dbraw/zinc/75/67/00/404756700.db2.gz PRTMBCOUSZAUBH-UHFFFAOYSA-N 1 3 322.416 2.136 10 0 DEAEHO CC(C)OC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000634724289 406248928 /nfs/dbraw/zinc/24/89/28/406248928.db2.gz NIFKNXAJBWHOMZ-YTQUADARSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724289 406248929 /nfs/dbraw/zinc/24/89/29/406248929.db2.gz NIFKNXAJBWHOMZ-YTQUADARSA-N 1 3 320.477 2.130 10 0 DEAEHO CC(C)OC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724289 406248933 /nfs/dbraw/zinc/24/89/33/406248933.db2.gz NIFKNXAJBWHOMZ-YTQUADARSA-N 1 3 320.477 2.130 10 0 DEAEHO c1ccc2c(c1)NC[C@@H]2CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635010082 406397984 /nfs/dbraw/zinc/39/79/84/406397984.db2.gz YAUDMCAKXCOOJF-QNDJGXFYSA-N 1 3 315.461 2.333 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC1CC1 ZINC000525302086 406483473 /nfs/dbraw/zinc/48/34/73/406483473.db2.gz MAASISONIBQAKI-KRWDZBQOSA-N 1 3 324.513 2.234 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC1CC1 ZINC000525302086 406483476 /nfs/dbraw/zinc/48/34/76/406483476.db2.gz MAASISONIBQAKI-KRWDZBQOSA-N 1 3 324.513 2.234 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390715914 424917344 /nfs/dbraw/zinc/91/73/44/424917344.db2.gz CLTGBNYEXIIQLW-KSZLIROESA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000390777111 424917896 /nfs/dbraw/zinc/91/78/96/424917896.db2.gz OBPKHNKXGSURSA-DOTOQJQBSA-N 1 3 303.450 2.142 10 0 DEAEHO OC1(CNCc2ccns2)CC[NH+](Cc2ccccc2)CC1 ZINC000404450463 424928297 /nfs/dbraw/zinc/92/82/97/424928297.db2.gz QWKPXOQQEGMKCM-UHFFFAOYSA-N 1 3 317.458 2.260 10 0 DEAEHO CN(CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)Cc1ccccc1 ZINC000407425666 424932284 /nfs/dbraw/zinc/93/22/84/424932284.db2.gz KDEWXNXHZAZUDN-ZWKOTPCHSA-N 1 3 315.461 2.155 10 0 DEAEHO [NH3+]C1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000303090357 424892787 /nfs/dbraw/zinc/89/27/87/424892787.db2.gz SJPLRLVRIISRBV-ABHNRTSZSA-N 1 3 315.461 2.285 10 0 DEAEHO C[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000397517741 269106603 /nfs/dbraw/zinc/10/66/03/269106603.db2.gz STEMERCBZJLNCK-FUHWJXTLSA-N 1 3 318.461 2.171 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246332127 279293630 /nfs/dbraw/zinc/29/36/30/279293630.db2.gz BBKDFGDVBBBMQM-SJORKVTESA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(C)CC1 ZINC000246269278 524444039 /nfs/dbraw/zinc/44/40/39/524444039.db2.gz LQMFWKKWONLZJM-TWMKSMIVSA-N 1 3 307.482 2.144 10 0 DEAEHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCC2)C12CCOCC2 ZINC000249025516 535505824 /nfs/dbraw/zinc/50/58/24/535505824.db2.gz RLKOKSXXTOBOFH-YESZJQIVSA-N 1 3 310.482 2.282 10 0 DEAEHO CN(C(=O)CCCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309716426 625628760 /nfs/dbraw/zinc/62/87/60/625628760.db2.gz MAXXWRSCXHITFX-QGZVFWFLSA-N 1 3 303.450 2.238 10 0 DEAEHO CCN(CC)CCN[C@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000087912730 185237335 /nfs/dbraw/zinc/23/73/35/185237335.db2.gz QIDIYJMTPMFASI-CQSZACIVSA-N 1 3 301.381 2.219 10 0 DEAEHO [NH3+]Cc1ccc([C@H](O)CN2CCC(C(F)(F)F)CC2)cc1 ZINC000088417857 185249258 /nfs/dbraw/zinc/24/92/58/185249258.db2.gz SZGVYGZTCOFUFB-CQSZACIVSA-N 1 3 302.340 2.453 10 0 DEAEHO C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268371 365706384 /nfs/dbraw/zinc/70/63/84/365706384.db2.gz YFWLSARNKLHUIK-MAUKXSAKSA-N 1 3 308.466 2.131 10 0 DEAEHO C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)OC1CCOCC1 ZINC000625268371 365706386 /nfs/dbraw/zinc/70/63/86/365706386.db2.gz YFWLSARNKLHUIK-MAUKXSAKSA-N 1 3 308.466 2.131 10 0 DEAEHO CC(C)CO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245853583 539759200 /nfs/dbraw/zinc/75/92/00/539759200.db2.gz GTCWQACTXLKZPW-IXDOHACOSA-N 1 3 312.498 2.263 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000152419169 186070621 /nfs/dbraw/zinc/07/06/21/186070621.db2.gz YSJAVPPKEXXTBQ-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000152419169 186070623 /nfs/dbraw/zinc/07/06/23/186070623.db2.gz YSJAVPPKEXXTBQ-ZACQAIPSSA-N 1 3 324.513 2.088 10 0 DEAEHO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000303089417 539861148 /nfs/dbraw/zinc/86/11/48/539861148.db2.gz OSCUAAMTCAPRLS-ROUUACIJSA-N 1 3 315.461 2.157 10 0 DEAEHO CN(C1CCN(C(=O)OC(C)(C)C)CC1)C1([C@@H]2CC[NH2+]C2)CC1 ZINC000140826170 355887300 /nfs/dbraw/zinc/88/73/00/355887300.db2.gz IGFAVUFQUWEVGQ-CQSZACIVSA-N 1 3 323.481 2.460 10 0 DEAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1c1cccs1 ZINC000607671310 361104328 /nfs/dbraw/zinc/10/43/28/361104328.db2.gz DDUZNMSMGSXPRH-YCPHGPKFSA-N 1 3 321.490 2.199 10 0 DEAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1cccs1 ZINC000607671310 361104334 /nfs/dbraw/zinc/10/43/34/361104334.db2.gz DDUZNMSMGSXPRH-YCPHGPKFSA-N 1 3 321.490 2.199 10 0 DEAEHO C[C@@H]1CN(CCOc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000631844270 368421323 /nfs/dbraw/zinc/42/13/23/368421323.db2.gz WDHIKHNDPWZWOL-NEPJUHHUSA-N 1 3 313.239 2.355 10 0 DEAEHO CCC[NH2+][C@@H]1[C@H](CN(CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429261 193368445 /nfs/dbraw/zinc/36/84/45/193368445.db2.gz ORDQFFAOXYLHLO-LSDHHAIUSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@H](C[N@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429261 193368447 /nfs/dbraw/zinc/36/84/47/193368447.db2.gz ORDQFFAOXYLHLO-LSDHHAIUSA-N 1 3 300.487 2.261 10 0 DEAEHO CCCN[C@@H]1[C@H](C[N@@H+](CCO)C(C)C)C(C)(C)OC1(C)C ZINC000094429261 193368449 /nfs/dbraw/zinc/36/84/49/193368449.db2.gz ORDQFFAOXYLHLO-LSDHHAIUSA-N 1 3 300.487 2.261 10 0 DEAEHO COC1([C@H](C)[NH2+]Cc2cccc(CN(C)C)c2)CCOCC1 ZINC000453074898 244910665 /nfs/dbraw/zinc/91/06/65/244910665.db2.gz OUOUHWXAZSVBIJ-HNNXBMFYSA-N 1 3 306.450 2.422 10 0 DEAEHO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCN(C)C ZINC000111130503 194393765 /nfs/dbraw/zinc/39/37/65/194393765.db2.gz SHSXFDGHEZGJJV-BXKDBHETSA-N 1 3 320.300 2.392 10 0 DEAEHO CC(C)NCc1nc(CN(C)CC2CC[NH+](C)CC2)cs1 ZINC000063124095 184271820 /nfs/dbraw/zinc/27/18/20/184271820.db2.gz OBRFZQJOXLISMF-UHFFFAOYSA-N 1 3 310.511 2.415 10 0 DEAEHO CCN1CCC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107838129 285264964 /nfs/dbraw/zinc/26/49/64/285264964.db2.gz IOGDMYSUGLURDD-IRXDYDNUSA-N 1 3 322.497 2.131 10 0 DEAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000121628773 195320140 /nfs/dbraw/zinc/32/01/40/195320140.db2.gz ZNTBTEGBEREYJP-INIZCTEOSA-N 1 3 324.513 2.233 10 0 DEAEHO CCOCCCN1CC[C@H]([NH2+]CCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246704 133131167 /nfs/dbraw/zinc/13/11/67/133131167.db2.gz ZQIZZOGJZVIJHS-MOPGFXCFSA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@@H+]1CC[C@H](NCCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246704 133131168 /nfs/dbraw/zinc/13/11/68/133131168.db2.gz ZQIZZOGJZVIJHS-MOPGFXCFSA-N 1 3 323.525 2.365 10 0 DEAEHO CCOCCC[N@H+]1CC[C@H](NCCN2CC=C(C)CC2)[C@H](C)C1 ZINC000358246704 133131169 /nfs/dbraw/zinc/13/11/69/133131169.db2.gz ZQIZZOGJZVIJHS-MOPGFXCFSA-N 1 3 323.525 2.365 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000248747552 145166414 /nfs/dbraw/zinc/16/64/14/145166414.db2.gz UCJWMZFANCMDGM-YOEHRIQHSA-N 1 3 307.482 2.050 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000248747552 145166415 /nfs/dbraw/zinc/16/64/15/145166415.db2.gz UCJWMZFANCMDGM-YOEHRIQHSA-N 1 3 307.482 2.050 10 0 DEAEHO C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)[C@H](N)c1ccccc1 ZINC000249120781 145179786 /nfs/dbraw/zinc/17/97/86/145179786.db2.gz POSBJYAAOPIRNN-LXZKKBNFSA-N 1 3 301.434 2.066 10 0 DEAEHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)c2ccccc21 ZINC000261640117 145212890 /nfs/dbraw/zinc/21/28/90/145212890.db2.gz DUOOHXWMGTZETL-KBRIMQKVSA-N 1 3 309.417 2.180 10 0 DEAEHO C[C@H](CC(=O)Nc1ccc2c(c1F)CCNC2)[C@H]1CCC[NH2+]C1 ZINC000261764068 145224391 /nfs/dbraw/zinc/22/43/91/145224391.db2.gz QRCXFSYAPIXXRH-OLZOCXBDSA-N 1 3 319.424 2.436 10 0 DEAEHO C(c1nnc(C2CC2)n1C1CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565717387 292177366 /nfs/dbraw/zinc/17/73/66/292177366.db2.gz XNUDIUFOGMHHKW-QGZVFWFLSA-N 1 3 301.438 2.066 10 0 DEAEHO COC[C@H](CCC[NH3+])NCc1cccc(Br)c1 ZINC000234794760 402360596 /nfs/dbraw/zinc/36/05/96/402360596.db2.gz QTCNZTLCJYDDLS-ZDUSSCGKSA-N 1 3 301.228 2.293 10 0 DEAEHO CCC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)N(C)C ZINC000161802695 402399651 /nfs/dbraw/zinc/39/96/51/402399651.db2.gz SEGLHAHQSXSERL-SJORKVTESA-N 1 3 305.466 2.444 10 0 DEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237409332 402406925 /nfs/dbraw/zinc/40/69/25/402406925.db2.gz OKUHWZOWCQULCQ-HYVNUMGLSA-N 1 3 315.461 2.456 10 0 DEAEHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](C)COC)CC1 ZINC000187676029 402507912 /nfs/dbraw/zinc/50/79/12/402507912.db2.gz QYODDIXBHIIDOC-QGZVFWFLSA-N 1 3 319.493 2.196 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246341737 402526344 /nfs/dbraw/zinc/52/63/44/402526344.db2.gz OVLLSFJPSVARLE-BZUAXINKSA-N 1 3 312.502 2.087 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246341737 402526346 /nfs/dbraw/zinc/52/63/46/402526346.db2.gz OVLLSFJPSVARLE-BZUAXINKSA-N 1 3 312.502 2.087 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170830037 402530296 /nfs/dbraw/zinc/53/02/96/402530296.db2.gz OTJRRYAHTMCVDH-BBWFWOEESA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170830037 402530299 /nfs/dbraw/zinc/53/02/99/402530299.db2.gz OTJRRYAHTMCVDH-BBWFWOEESA-N 1 3 324.513 2.090 10 0 DEAEHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000190137306 402578427 /nfs/dbraw/zinc/57/84/27/402578427.db2.gz FSDRDBRJVPNJMG-INIZCTEOSA-N 1 3 312.502 2.234 10 0 DEAEHO CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1=O ZINC000180147902 402608338 /nfs/dbraw/zinc/60/83/38/402608338.db2.gz HZZLZZMFSVSIRV-HQSKLWIPSA-N 1 3 313.445 2.002 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249748063 402640119 /nfs/dbraw/zinc/64/01/19/402640119.db2.gz AJMXIMNFPBYHDT-SJORKVTESA-N 1 3 324.513 2.282 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249748063 402640120 /nfs/dbraw/zinc/64/01/20/402640120.db2.gz AJMXIMNFPBYHDT-SJORKVTESA-N 1 3 324.513 2.282 10 0 DEAEHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000249842735 402642325 /nfs/dbraw/zinc/64/23/25/402642325.db2.gz YHHCLRIYWKTISU-DLBZAZTESA-N 1 3 324.513 2.280 10 0 DEAEHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCCC[C@@H]2C)C1 ZINC000249842735 402642328 /nfs/dbraw/zinc/64/23/28/402642328.db2.gz YHHCLRIYWKTISU-DLBZAZTESA-N 1 3 324.513 2.280 10 0 DEAEHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000252537927 402658261 /nfs/dbraw/zinc/65/82/61/402658261.db2.gz BVUQGZAQZXJXDB-RDJZCZTQSA-N 1 3 324.513 2.375 10 0 DEAEHO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCN1C ZINC000173395663 402696013 /nfs/dbraw/zinc/69/60/13/402696013.db2.gz KNCKRNWPPUGNEL-JKSUJKDBSA-N 1 3 324.513 2.375 10 0 DEAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)N1CCCCCC1 ZINC000175438562 402806485 /nfs/dbraw/zinc/80/64/85/402806485.db2.gz QZMBZRNJGQCRPE-BRWVUGGUSA-N 1 3 307.482 2.336 10 0 DEAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)N1CCCCCC1 ZINC000175438562 402806488 /nfs/dbraw/zinc/80/64/88/402806488.db2.gz QZMBZRNJGQCRPE-BRWVUGGUSA-N 1 3 307.482 2.336 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000195196908 402835954 /nfs/dbraw/zinc/83/59/54/402835954.db2.gz PPNNXKQBQLRZQZ-KBAYOESNSA-N 1 3 310.482 2.113 10 0 DEAEHO CCCCOC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000195196908 402835955 /nfs/dbraw/zinc/83/59/55/402835955.db2.gz PPNNXKQBQLRZQZ-KBAYOESNSA-N 1 3 310.482 2.113 10 0 DEAEHO C(CCN1CCO[C@@H](C2CC2)C1)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368793085 403860153 /nfs/dbraw/zinc/86/01/53/403860153.db2.gz RUVBOJKTPNZLIZ-RTBURBONSA-N 1 3 322.493 2.378 10 0 DEAEHO C(CCN1CCO[C@@H](C2CC2)C1)CC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000368793085 403860155 /nfs/dbraw/zinc/86/01/55/403860155.db2.gz RUVBOJKTPNZLIZ-RTBURBONSA-N 1 3 322.493 2.378 10 0 DEAEHO COCC(C)(C)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414520938 404666141 /nfs/dbraw/zinc/66/61/41/404666141.db2.gz DQHKLDYFFKXACF-UHFFFAOYSA-N 1 3 320.477 2.276 10 0 DEAEHO CC[C@](C)(C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)OC ZINC000397560614 405059042 /nfs/dbraw/zinc/05/90/42/405059042.db2.gz VZHSMPXSLZGNAW-GOSISDBHSA-N 1 3 320.477 2.418 10 0 DEAEHO CO[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CC1 ZINC000400128020 405063116 /nfs/dbraw/zinc/06/31/16/405063116.db2.gz PDGYJNQCEHOIJD-GOSISDBHSA-N 1 3 318.461 2.028 10 0 DEAEHO O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(F)F ZINC000436287252 405066734 /nfs/dbraw/zinc/06/67/34/405066734.db2.gz ISZJYPQYEDTOMW-LVQVYYBASA-N 1 3 310.388 2.398 10 0 DEAEHO [NH3+]CCCC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851525 405715025 /nfs/dbraw/zinc/71/50/25/405715025.db2.gz NPFQIAQXIGLKIM-QGZVFWFLSA-N 1 3 303.450 2.286 10 0 DEAEHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000638081428 406560373 /nfs/dbraw/zinc/56/03/73/406560373.db2.gz YUNHSAUXRIBHSY-NVXWUHKLSA-N 1 3 303.450 2.155 10 0 DEAEHO C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CCCNC1 ZINC000643489438 407006742 /nfs/dbraw/zinc/00/67/42/407006742.db2.gz JIXRTRBCHYJMCS-RYUDHWBXSA-N 1 3 315.259 2.013 10 0 DEAEHO CN1CCC[C@@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000134376030 196384020 /nfs/dbraw/zinc/38/40/20/196384020.db2.gz YOHUSHAPZBUHGU-CQSZACIVSA-N 1 3 323.238 2.048 10 0 DEAEHO c1cc2c(cccc2CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)[nH]1 ZINC000423117352 230356599 /nfs/dbraw/zinc/35/65/99/230356599.db2.gz VBBQTFDNJUHDHA-YTQUADARSA-N 1 3 313.445 2.457 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000085401172 267386966 /nfs/dbraw/zinc/38/69/66/267386966.db2.gz PNBCAHWLBVIXRB-RDJZCZTQSA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000397517745 269106550 /nfs/dbraw/zinc/10/65/50/269106550.db2.gz STEMERCBZJLNCK-SJLPKXTDSA-N 1 3 318.461 2.171 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000175385659 276378700 /nfs/dbraw/zinc/37/87/00/276378700.db2.gz UAPZPGXDSFUHFU-KRWDZBQOSA-N 1 3 322.497 2.131 10 0 DEAEHO CCN1CCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000175385659 276378702 /nfs/dbraw/zinc/37/87/02/276378702.db2.gz UAPZPGXDSFUHFU-KRWDZBQOSA-N 1 3 322.497 2.131 10 0 DEAEHO COC[C@@H](C)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000188074085 333024272 /nfs/dbraw/zinc/02/42/72/333024272.db2.gz VHUWRKCDHHYRDV-HNNXBMFYSA-N 1 3 306.450 2.015 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448281083 528221107 /nfs/dbraw/zinc/22/11/07/528221107.db2.gz KWUVHZUJOBUMAC-CGTJXYLNSA-N 1 3 319.493 2.336 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448281083 528221113 /nfs/dbraw/zinc/22/11/13/528221113.db2.gz KWUVHZUJOBUMAC-CGTJXYLNSA-N 1 3 319.493 2.336 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261545471 646981180 /nfs/dbraw/zinc/98/11/80/646981180.db2.gz KBSKPSJORUVOTR-NVXWUHKLSA-N 1 3 303.450 2.155 10 0 DEAEHO Brc1cnc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000714952799 792374746 /nfs/dbraw/zinc/37/47/46/792374746.db2.gz VQCXJDNJDIVAQF-KXUCPTDWSA-N 1 3 316.268 2.383 10 0 DEAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000715543561 792477305 /nfs/dbraw/zinc/47/73/05/792477305.db2.gz PZSCRMFBKWPSCZ-HUUCEWRRSA-N 1 3 311.470 2.316 10 0 DEAEHO CO[C@](C)(CO)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634420 792982811 /nfs/dbraw/zinc/98/28/11/792982811.db2.gz AVZVBDJXJYSYGJ-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@](C)(CO)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634420 792982816 /nfs/dbraw/zinc/98/28/16/792982816.db2.gz AVZVBDJXJYSYGJ-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716634420 792982819 /nfs/dbraw/zinc/98/28/19/792982819.db2.gz AVZVBDJXJYSYGJ-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CCNCc1c(N(C)C[C@@H]2CCC[N@@H+]2C)nc2sccn12 ZINC000092633004 185330356 /nfs/dbraw/zinc/33/03/56/185330356.db2.gz AXCJUAPAZLPFHQ-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO CCNCc1c(N(C)C[C@@H]2CCC[N@H+]2C)nc2sccn12 ZINC000092633004 185330357 /nfs/dbraw/zinc/33/03/57/185330357.db2.gz AXCJUAPAZLPFHQ-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO CC[NH+](CC)CCCN1Cc2c(cccc2N(C)C)[C@@H]1CN ZINC000071683387 191006849 /nfs/dbraw/zinc/00/68/49/191006849.db2.gz CHZIBGZYHCPZAO-SFHVURJKSA-N 1 3 304.482 2.300 10 0 DEAEHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000333468031 539960386 /nfs/dbraw/zinc/96/03/86/539960386.db2.gz ACUVQEFKJWJESP-HOTGVXAUSA-N 1 3 322.497 2.164 10 0 DEAEHO OC[C@H]1CN(Cc2ccc(F)cc2Cl)CC12CC[NH2+]CC2 ZINC000169782190 355983004 /nfs/dbraw/zinc/98/30/04/355983004.db2.gz LGGRECNOAGEKEK-CYBMUJFWSA-N 1 3 312.816 2.273 10 0 DEAEHO CCOc1ccccc1CN1CCC([C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC000169788987 355983468 /nfs/dbraw/zinc/98/34/68/355983468.db2.gz BLDWUIBPTOBVFT-ROUUACIJSA-N 1 3 318.461 2.125 10 0 DEAEHO CN(C)CCOCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000447593599 239033756 /nfs/dbraw/zinc/03/37/56/239033756.db2.gz TXKKEVOHDALHSV-FUHWJXTLSA-N 1 3 306.450 2.322 10 0 DEAEHO CCNCc1c(N2CCC[C@@H]([NH+](C)C)C2)nc2sccn12 ZINC000091393767 193050267 /nfs/dbraw/zinc/05/02/67/193050267.db2.gz NBAQRXQWDQNXOV-GFCCVEGCSA-N 1 3 307.467 2.036 10 0 DEAEHO CCCN(CC(=O)Nc1nc(C)cs1)CC1CC[NH2+]CC1 ZINC000094025626 193340183 /nfs/dbraw/zinc/34/01/83/193340183.db2.gz AYCRIEWWZJLTHN-UHFFFAOYSA-N 1 3 310.467 2.102 10 0 DEAEHO CC1(C)CCSC[C@]1(C[NH3+])N1CCN(C2CCCC2)CC1 ZINC000094484260 193372416 /nfs/dbraw/zinc/37/24/16/193372416.db2.gz USBIVQNAXOLAAT-KRWDZBQOSA-N 1 3 311.539 2.407 10 0 DEAEHO CCN1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333879 245075960 /nfs/dbraw/zinc/07/59/60/245075960.db2.gz WPDHMXLTVURXCH-NXHRZFHOSA-N 1 3 315.461 2.107 10 0 DEAEHO CCN1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333879 245075971 /nfs/dbraw/zinc/07/59/71/245075971.db2.gz WPDHMXLTVURXCH-NXHRZFHOSA-N 1 3 315.461 2.107 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000177314515 285235462 /nfs/dbraw/zinc/23/54/62/285235462.db2.gz XEXSCALNSPEGAB-MRXNPFEDSA-N 1 3 324.513 2.377 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000177314515 285235463 /nfs/dbraw/zinc/23/54/63/285235463.db2.gz XEXSCALNSPEGAB-MRXNPFEDSA-N 1 3 324.513 2.377 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111836884 285267292 /nfs/dbraw/zinc/26/72/92/285267292.db2.gz ONOLCDLGBFVQTQ-KRWDZBQOSA-N 1 3 324.513 2.426 10 0 DEAEHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248828816 145169303 /nfs/dbraw/zinc/16/93/03/145169303.db2.gz APXBVRKYRCBVTB-ZOBUZTSGSA-N 1 3 303.450 2.283 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@@H](C)C1 ZINC000262121949 145263864 /nfs/dbraw/zinc/26/38/64/145263864.db2.gz IUJZDQAGMBEBFJ-MTSZKFMLSA-N 1 3 307.482 2.144 10 0 DEAEHO CCN(C(=O)[C@H](C)C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262469070 145285547 /nfs/dbraw/zinc/28/55/47/145285547.db2.gz YBAGAEXSJXBNSQ-HLLBOEOZSA-N 1 3 303.450 2.265 10 0 DEAEHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000127327280 401728973 /nfs/dbraw/zinc/72/89/73/401728973.db2.gz ZZIPBMUDHBIPJX-GDBMZVCRSA-N 1 3 322.497 2.033 10 0 DEAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000136814571 401974325 /nfs/dbraw/zinc/97/43/25/401974325.db2.gz CYNRSGBFDVKAAT-MRXNPFEDSA-N 1 3 324.513 2.377 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000176331906 402300617 /nfs/dbraw/zinc/30/06/17/402300617.db2.gz KGDFCSPPYOOFSY-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000176331906 402300618 /nfs/dbraw/zinc/30/06/18/402300618.db2.gz KGDFCSPPYOOFSY-DLBZAZTESA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237408760 402406920 /nfs/dbraw/zinc/40/69/20/402406920.db2.gz OKUHWZOWCQULCQ-DJIMGWMZSA-N 1 3 315.461 2.456 10 0 DEAEHO O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000238029920 402433703 /nfs/dbraw/zinc/43/37/03/402433703.db2.gz VLTOXWLOXRQNFT-QGZVFWFLSA-N 1 3 301.434 2.041 10 0 DEAEHO Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)NC1CCCC1 ZINC000178306550 402482569 /nfs/dbraw/zinc/48/25/69/402482569.db2.gz QXSBISPIFKXHFK-XJKSGUPXSA-N 1 3 304.438 2.103 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189958597 402568238 /nfs/dbraw/zinc/56/82/38/402568238.db2.gz JYNGIPOJBBDNNQ-HNNXBMFYSA-N 1 3 312.502 2.088 10 0 DEAEHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246486359 402533374 /nfs/dbraw/zinc/53/33/74/402533374.db2.gz OYWZQCFURGNVJC-ALYAQQCSSA-N 1 3 307.482 2.144 10 0 DEAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171633518 402603709 /nfs/dbraw/zinc/60/37/09/402603709.db2.gz XLWYCXFNRSJAGQ-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171633523 402603861 /nfs/dbraw/zinc/60/38/61/402603861.db2.gz XLWYCXFNRSJAGQ-IRXDYDNUSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@H](O)CN1CCC(C[N@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236471 402675030 /nfs/dbraw/zinc/67/50/30/402675030.db2.gz UNMCMFIAHYSOFQ-INIZCTEOSA-N 1 3 318.461 2.284 10 0 DEAEHO C[C@H](O)CN1CCC(C[N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC000182236471 402675031 /nfs/dbraw/zinc/67/50/31/402675031.db2.gz UNMCMFIAHYSOFQ-INIZCTEOSA-N 1 3 318.461 2.284 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000390004746 405043379 /nfs/dbraw/zinc/04/33/79/405043379.db2.gz VVHFUMDZXPYKIS-KBAYOESNSA-N 1 3 315.461 2.013 10 0 DEAEHO COC[C@@](C)(O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468028 405623605 /nfs/dbraw/zinc/62/36/05/405623605.db2.gz KUWHEGFBGXZEIT-RDGPPVDQSA-N 1 3 318.461 2.169 10 0 DEAEHO COC[C@@](C)(O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468028 405623615 /nfs/dbraw/zinc/62/36/15/405623615.db2.gz KUWHEGFBGXZEIT-RDGPPVDQSA-N 1 3 318.461 2.169 10 0 DEAEHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000638852066 405714692 /nfs/dbraw/zinc/71/46/92/405714692.db2.gz VDKUMFMEIHMWIZ-MSOLQXFVSA-N 1 3 315.461 2.157 10 0 DEAEHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000638852528 405715402 /nfs/dbraw/zinc/71/54/02/405715402.db2.gz YCJHKXMOWFHFET-QZTJIDSGSA-N 1 3 315.461 2.299 10 0 DEAEHO CC1=CCN(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459470843 405917324 /nfs/dbraw/zinc/91/73/24/405917324.db2.gz ARKKENWAJBOGTK-UHFFFAOYSA-N 1 3 300.450 2.292 10 0 DEAEHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000638074374 406555653 /nfs/dbraw/zinc/55/56/53/406555653.db2.gz MDCKXTXSQAHGOB-QZTJIDSGSA-N 1 3 313.445 2.157 10 0 DEAEHO c1cc2c(cccc2CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)[nH]1 ZINC000423117351 230356837 /nfs/dbraw/zinc/35/68/37/230356837.db2.gz VBBQTFDNJUHDHA-QXAKKESOSA-N 1 3 313.445 2.457 10 0 DEAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390715916 424917875 /nfs/dbraw/zinc/91/78/75/424917875.db2.gz CLTGBNYEXIIQLW-OKZBNKHCSA-N 1 3 315.461 2.142 10 0 DEAEHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)O1 ZINC000397587714 269106579 /nfs/dbraw/zinc/10/65/79/269106579.db2.gz KFOZQSKZUWZOEY-RYRKJORJSA-N 1 3 318.461 2.169 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000247478294 279281965 /nfs/dbraw/zinc/28/19/65/279281965.db2.gz IWETUZZISRCTLA-CVEARBPZSA-N 1 3 312.502 2.136 10 0 DEAEHO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)C(C)(C)C ZINC000175014892 289178076 /nfs/dbraw/zinc/17/80/76/289178076.db2.gz CIJUUNDXAOTWPN-HZPDHXFCSA-N 1 3 322.497 2.009 10 0 DEAEHO OCC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(Cc2ccccc2)C3)C1 ZINC000716623244 792980655 /nfs/dbraw/zinc/98/06/55/792980655.db2.gz ZBUJPMXVOVESPY-HJTRDACESA-N 1 3 300.446 2.400 10 0 DEAEHO CC(C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2)C(N)=O ZINC000716731223 793004076 /nfs/dbraw/zinc/00/40/76/793004076.db2.gz ANUFSWWYGVLOPA-ULQDDVLXSA-N 1 3 315.461 2.141 10 0 DEAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[NH2+]CC1CC1 ZINC000717142498 799234580 /nfs/dbraw/zinc/23/45/80/799234580.db2.gz IJPZNPPROGCKCD-HNNXBMFYSA-N 1 3 303.450 2.013 10 0 DEAEHO CC[N@@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1CNC ZINC000092633211 185330664 /nfs/dbraw/zinc/33/06/64/185330664.db2.gz DFGJESJKXKHLAX-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO CC[N@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1CNC ZINC000092633211 185330665 /nfs/dbraw/zinc/33/06/65/185330665.db2.gz DFGJESJKXKHLAX-LBPRGKRZSA-N 1 3 307.467 2.036 10 0 DEAEHO CC[NH+](CC)CCCN1Cc2c(cc(OC)cc2F)[C@@H]1CN ZINC000071683459 191006669 /nfs/dbraw/zinc/00/66/69/191006669.db2.gz FAMLGGYRHZUKOQ-KRWDZBQOSA-N 1 3 309.429 2.382 10 0 DEAEHO CCCCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000245936470 539759395 /nfs/dbraw/zinc/75/93/95/539759395.db2.gz UAJIMOFGICXXCU-IXDOHACOSA-N 1 3 312.498 2.407 10 0 DEAEHO CN(C)CCn1ncc(Cl)c1[C@](C)(F)[C@@H]1CCC[NH2+]C1 ZINC000164005558 186145382 /nfs/dbraw/zinc/14/53/82/186145382.db2.gz CGASUWKOMPSOGR-BXUZGUMPSA-N 1 3 302.825 2.282 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000382727583 540123518 /nfs/dbraw/zinc/12/35/18/540123518.db2.gz WCJZPFPPVDQKOQ-SJLPKXTDSA-N 1 3 317.477 2.483 10 0 DEAEHO CCN(CC)CCN1C(=[NH2+])NC[C@H]1c1ccc(SC)cc1 ZINC000093382264 193240643 /nfs/dbraw/zinc/24/06/43/193240643.db2.gz GLEJEHUKPWSLEZ-HNNXBMFYSA-N 1 3 306.479 2.422 10 0 DEAEHO CCN[C@]1(CO)CCC[C@H]([N@H+](CCOC)C(CC)CC)C1 ZINC000093783418 193307919 /nfs/dbraw/zinc/30/79/19/193307919.db2.gz WARFXYYHWFUUQR-DLBZAZTESA-N 1 3 300.487 2.407 10 0 DEAEHO CCN[C@]1(CO)CCC[C@H]([N@@H+](CCOC)C(CC)CC)C1 ZINC000093783418 193307921 /nfs/dbraw/zinc/30/79/21/193307921.db2.gz WARFXYYHWFUUQR-DLBZAZTESA-N 1 3 300.487 2.407 10 0 DEAEHO CC(C)[NH2+]CC1CCN([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644250 193390034 /nfs/dbraw/zinc/39/00/34/193390034.db2.gz BDHQJXWZOWCELT-HOTGVXAUSA-N 1 3 316.511 2.052 10 0 DEAEHO C[C@@H]1CN2CCCC[C@@H]2CN1Cc1[nH+]c(NN)ccc1Cl ZINC000094442287 193370141 /nfs/dbraw/zinc/37/01/41/193370141.db2.gz ODDMGVUXESDOKZ-VXGBXAGGSA-N 1 3 309.845 2.079 10 0 DEAEHO CCN1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333878 245077753 /nfs/dbraw/zinc/07/77/53/245077753.db2.gz WPDHMXLTVURXCH-KBAYOESNSA-N 1 3 315.461 2.107 10 0 DEAEHO CCN1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000453333878 245077763 /nfs/dbraw/zinc/07/77/63/245077763.db2.gz WPDHMXLTVURXCH-KBAYOESNSA-N 1 3 315.461 2.107 10 0 DEAEHO Cc1cc(Br)cc(CC[NH3+])c1OCCN(C)C ZINC000160908922 197449645 /nfs/dbraw/zinc/44/96/45/197449645.db2.gz HBZXBUOORZGVSC-UHFFFAOYSA-N 1 3 301.228 2.199 10 0 DEAEHO Cc1cc(N2CCN3CCCC[C@@H]3C2)c(C(N)=S)c(C)[nH+]1 ZINC000156700166 197133819 /nfs/dbraw/zinc/13/38/19/197133819.db2.gz FNAHBZVNCFSOMT-CYBMUJFWSA-N 1 3 304.463 2.007 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245908801 285229820 /nfs/dbraw/zinc/22/98/20/285229820.db2.gz IOGDMYSUGLURDD-IAGOWNOFSA-N 1 3 322.497 2.131 10 0 DEAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000247350927 145134705 /nfs/dbraw/zinc/13/47/05/145134705.db2.gz NZXZYPPQLIKIKQ-WMLDXEAASA-N 1 3 303.450 2.207 10 0 DEAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000247350927 145134706 /nfs/dbraw/zinc/13/47/06/145134706.db2.gz NZXZYPPQLIKIKQ-WMLDXEAASA-N 1 3 303.450 2.207 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247385006 145135283 /nfs/dbraw/zinc/13/52/83/145135283.db2.gz FWYUCAGXQGRQKQ-HMQMGEFJSA-N 1 3 322.497 2.175 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247385006 145135285 /nfs/dbraw/zinc/13/52/85/145135285.db2.gz FWYUCAGXQGRQKQ-HMQMGEFJSA-N 1 3 322.497 2.175 10 0 DEAEHO C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)N1CCCCCC1 ZINC000261700687 145218463 /nfs/dbraw/zinc/21/84/63/145218463.db2.gz JMPRWRULZSQJQV-KRWDZBQOSA-N 1 3 317.477 2.281 10 0 DEAEHO OCCNCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013732767 401804172 /nfs/dbraw/zinc/80/41/72/401804172.db2.gz LXDUDBBNJPUKCN-UHFFFAOYSA-N 1 3 314.429 2.327 10 0 DEAEHO CC(C)N1CCCC[C@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786036 401907494 /nfs/dbraw/zinc/90/74/94/401907494.db2.gz BKSBFWFGHYNFFV-KRWDZBQOSA-N 1 3 307.482 2.336 10 0 DEAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000118786034 401907571 /nfs/dbraw/zinc/90/75/71/401907571.db2.gz BKSBFWFGHYNFFV-QGZVFWFLSA-N 1 3 307.482 2.336 10 0 DEAEHO CC1CCN(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000137289573 401981883 /nfs/dbraw/zinc/98/18/83/401981883.db2.gz BXCSEESXOOBLRB-UHFFFAOYSA-N 1 3 307.482 2.053 10 0 DEAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NCCN(C)Cc1ccccc1 ZINC000054764276 402070970 /nfs/dbraw/zinc/07/09/70/402070970.db2.gz DLTNOPBYMZISAU-INIZCTEOSA-N 1 3 320.481 2.148 10 0 DEAEHO CC1CCN(CC[NH+]2CCC(Cc3nccn3C)CC2)CC1 ZINC000153822850 402172334 /nfs/dbraw/zinc/17/23/34/402172334.db2.gz IGDHLGOZEUJSFU-UHFFFAOYSA-N 1 3 304.482 2.407 10 0 DEAEHO CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C ZINC000154878211 402237313 /nfs/dbraw/zinc/23/73/13/402237313.db2.gz CRTALKUFTSYMPK-NVXWUHKLSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000154878211 402237315 /nfs/dbraw/zinc/23/73/15/402237315.db2.gz CRTALKUFTSYMPK-NVXWUHKLSA-N 1 3 305.466 2.353 10 0 DEAEHO CCC[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)N(C)C ZINC000161727858 402397101 /nfs/dbraw/zinc/39/71/01/402397101.db2.gz JCEYSLQSVVRHDF-QGZVFWFLSA-N 1 3 305.466 2.485 10 0 DEAEHO CCC[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)N(C)C ZINC000161727858 402397102 /nfs/dbraw/zinc/39/71/02/402397102.db2.gz JCEYSLQSVVRHDF-QGZVFWFLSA-N 1 3 305.466 2.485 10 0 DEAEHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000166324609 402483720 /nfs/dbraw/zinc/48/37/20/402483720.db2.gz BRHNFOUDQBQBRH-BZSNNMDCSA-N 1 3 315.461 2.376 10 0 DEAEHO CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000167668078 402492900 /nfs/dbraw/zinc/49/29/00/402492900.db2.gz HSWWAPHREYXKRU-QZTJIDSGSA-N 1 3 315.461 2.237 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246021832 402504374 /nfs/dbraw/zinc/50/43/74/402504374.db2.gz OTJRRYAHTMCVDH-IXDOHACOSA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246021832 402504376 /nfs/dbraw/zinc/50/43/76/402504376.db2.gz OTJRRYAHTMCVDH-IXDOHACOSA-N 1 3 324.513 2.090 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246427775 402530882 /nfs/dbraw/zinc/53/08/82/402530882.db2.gz MKVKCFXQPBVZSZ-ULQDDVLXSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246427775 402530886 /nfs/dbraw/zinc/53/08/86/402530886.db2.gz MKVKCFXQPBVZSZ-ULQDDVLXSA-N 1 3 324.513 2.233 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249752657 402640607 /nfs/dbraw/zinc/64/06/07/402640607.db2.gz DXJABOYYWHRAAD-SJORKVTESA-N 1 3 324.513 2.425 10 0 DEAEHO CCN1CCC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249752657 402640609 /nfs/dbraw/zinc/64/06/09/402640609.db2.gz DXJABOYYWHRAAD-SJORKVTESA-N 1 3 324.513 2.425 10 0 DEAEHO CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000173533240 402701995 /nfs/dbraw/zinc/70/19/95/402701995.db2.gz ZSKYIBXCPBFJDN-SJORKVTESA-N 1 3 324.513 2.233 10 0 DEAEHO CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000173533227 402702197 /nfs/dbraw/zinc/70/21/97/402702197.db2.gz ZSKYIBXCPBFJDN-IAGOWNOFSA-N 1 3 324.513 2.233 10 0 DEAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309702695 403962198 /nfs/dbraw/zinc/96/21/98/403962198.db2.gz GTJVSIVCGPOZQT-QZTJIDSGSA-N 1 3 315.461 2.109 10 0 DEAEHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000638074372 406555661 /nfs/dbraw/zinc/55/56/61/406555661.db2.gz MDCKXTXSQAHGOB-MSOLQXFVSA-N 1 3 313.445 2.157 10 0 DEAEHO [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000638079419 406558808 /nfs/dbraw/zinc/55/88/08/406558808.db2.gz DFZLIRBFPMSLQC-WMZOPIPTSA-N 1 3 313.445 2.062 10 0 DEAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638286258 406672127 /nfs/dbraw/zinc/67/21/27/406672127.db2.gz OQTXERCMCJDUEL-INIZCTEOSA-N 1 3 315.461 2.109 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000398047018 269108521 /nfs/dbraw/zinc/10/85/21/269108521.db2.gz WDVTYVKTVFONIN-ZAWLATJESA-N 1 3 301.478 2.485 10 0 DEAEHO CO[C@@H](C)C[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182140793 274055251 /nfs/dbraw/zinc/05/52/51/274055251.db2.gz BAHSGLPXPZUSRG-LPHOPBHVSA-N 1 3 320.477 2.399 10 0 DEAEHO CO[C@@H](C)C[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182140793 274055252 /nfs/dbraw/zinc/05/52/52/274055252.db2.gz BAHSGLPXPZUSRG-LPHOPBHVSA-N 1 3 320.477 2.399 10 0 DEAEHO CC(=O)[C@@](C)(O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450494472 277097403 /nfs/dbraw/zinc/09/74/03/277097403.db2.gz MAQOLAFSNRQDSE-QAPCUYQASA-N 1 3 310.482 2.303 10 0 DEAEHO CC(=O)[C@@](C)(O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494472 277097404 /nfs/dbraw/zinc/09/74/04/277097404.db2.gz MAQOLAFSNRQDSE-QAPCUYQASA-N 1 3 310.482 2.303 10 0 DEAEHO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000246303365 289261949 /nfs/dbraw/zinc/26/19/49/289261949.db2.gz WVTHAMUXIRQZSP-OWCLPIDISA-N 1 3 307.482 2.335 10 0 DEAEHO C[C@@H]1CN(C[C@H]2CCCN2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000246166590 297027335 /nfs/dbraw/zinc/02/73/35/297027335.db2.gz BWJHEYZRPOCLNR-KZNAEPCWSA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCCN2CCCC2)C[C@@H](C)O1 ZINC000246166590 297027336 /nfs/dbraw/zinc/02/73/36/297027336.db2.gz BWJHEYZRPOCLNR-KZNAEPCWSA-N 1 3 309.498 2.046 10 0 DEAEHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCCN2CCCC2)C[C@@H](C)O1 ZINC000246166590 297027338 /nfs/dbraw/zinc/02/73/38/297027338.db2.gz BWJHEYZRPOCLNR-KZNAEPCWSA-N 1 3 309.498 2.046 10 0 DEAEHO CN1CCC(CC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000362482280 536352251 /nfs/dbraw/zinc/35/22/51/536352251.db2.gz BAQFTBZAZQRJLE-UHFFFAOYSA-N 1 3 309.498 2.489 10 0 DEAEHO CN1CCC(CC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000362482280 536352254 /nfs/dbraw/zinc/35/22/54/536352254.db2.gz BAQFTBZAZQRJLE-UHFFFAOYSA-N 1 3 309.498 2.489 10 0 DEAEHO Cn1nccc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000310468955 625454827 /nfs/dbraw/zinc/45/48/27/625454827.db2.gz ARFWGJYPUJSRBH-YZGWKJHDSA-N 1 3 324.472 2.463 10 0 DEAEHO CNC(=O)CCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309736661 625544996 /nfs/dbraw/zinc/54/49/96/625544996.db2.gz UQGFYZNNCZMCSQ-FGTMMUONSA-N 1 3 315.461 2.013 10 0 DEAEHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097177 635539952 /nfs/dbraw/zinc/53/99/52/635539952.db2.gz DDOKMLFWCSBJKV-ZJPYXAASSA-N 1 3 321.440 2.180 10 0 DEAEHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097177 635539954 /nfs/dbraw/zinc/53/99/54/635539954.db2.gz DDOKMLFWCSBJKV-ZJPYXAASSA-N 1 3 321.440 2.180 10 0 DEAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261560372 635900278 /nfs/dbraw/zinc/90/02/78/635900278.db2.gz ZUGAVJCSOVIWDT-PVAVHDDUSA-N 1 3 303.450 2.141 10 0 DEAEHO C[C@H](NCc1ncc(Br)s1)C1CC[NH2+]CC1 ZINC000714952806 792374523 /nfs/dbraw/zinc/37/45/23/792374523.db2.gz VSAORCPDAZEECB-QMMMGPOBSA-N 1 3 304.257 2.383 10 0 DEAEHO COC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677593 792984110 /nfs/dbraw/zinc/98/41/10/792984110.db2.gz GPPNEXQFSVDBHP-CADBVGFASA-N 1 3 318.461 2.027 10 0 DEAEHO COC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716677597 792984183 /nfs/dbraw/zinc/98/41/83/792984183.db2.gz GPPNEXQFSVDBHP-RDGPPVDQSA-N 1 3 318.461 2.027 10 0 DEAEHO CC[C@H](CCc1c(Br)cnn1CCN(C)C)[NH2+]C ZINC000163167725 197615182 /nfs/dbraw/zinc/61/51/82/197615182.db2.gz GEIRQSKHKADXPM-LLVKDONJSA-N 1 3 317.275 2.138 10 0 DEAEHO CN(CCC(=O)Nc1cccc(C[NH3+])c1)CCC(F)(F)F ZINC000088417500 185249317 /nfs/dbraw/zinc/24/93/17/185249317.db2.gz ABTZRUZYSGQYNV-UHFFFAOYSA-N 1 3 303.328 2.358 10 0 DEAEHO C[NH+](C)CCN1CCN(C[C@@H]2CSc3ccccc32)CC1 ZINC000092663042 185332504 /nfs/dbraw/zinc/33/25/04/185332504.db2.gz XGOFIAUBTHPPFT-OAHLLOKOSA-N 1 3 305.491 2.055 10 0 DEAEHO CCCNC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000369878697 535004426 /nfs/dbraw/zinc/00/44/26/535004426.db2.gz TXXQCXGEOYWEKB-UHFFFAOYSA-N 1 3 306.376 2.316 10 0 DEAEHO COc1ccc(Cl)c2c1CN(C1CCN(C)CC1)[C@@H]2C[NH3+] ZINC000071684019 191008430 /nfs/dbraw/zinc/00/84/30/191008430.db2.gz UMHMINMSTDHPSI-CQSZACIVSA-N 1 3 309.841 2.258 10 0 DEAEHO C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@@H]1CN(C)CCN1C ZINC000149590708 186051773 /nfs/dbraw/zinc/05/17/73/186051773.db2.gz MWSFJHPSLYDMAG-QWHCGFSZSA-N 1 3 313.848 2.246 10 0 DEAEHO CC[NH2+][C@@H](Cc1cccc(Cl)c1)C[C@H]1CN(C)CCN1C ZINC000149665770 186051846 /nfs/dbraw/zinc/05/18/46/186051846.db2.gz INYTWMWVZRNVNV-IRXDYDNUSA-N 1 3 309.885 2.497 10 0 DEAEHO C[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309755764 539879162 /nfs/dbraw/zinc/87/91/62/539879162.db2.gz WZJJYDHLQQEHKH-HKUYNNGSSA-N 1 3 315.461 2.157 10 0 DEAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000382730906 540123932 /nfs/dbraw/zinc/12/39/32/540123932.db2.gz BANYIKHONHKCKN-FUHWJXTLSA-N 1 3 317.477 2.483 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CCN1Cc1ccccc1 ZINC000398065383 540140593 /nfs/dbraw/zinc/14/05/93/540140593.db2.gz HLLNVASRKYBADY-GDBMZVCRSA-N 1 3 301.434 2.037 10 0 DEAEHO C[C@@H](C[NH2+]C1CCN(CCN(C)C)CC1)Cc1ccccc1 ZINC000182052337 356107295 /nfs/dbraw/zinc/10/72/95/356107295.db2.gz UXHZFPLDDVZRJD-QGZVFWFLSA-N 1 3 303.494 2.481 10 0 DEAEHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000263283823 356344627 /nfs/dbraw/zinc/34/46/27/356344627.db2.gz SZHZDJJEMNNOQC-RFSXOUPVSA-N 1 3 321.509 2.390 10 0 DEAEHO C[C@@H](C(=O)Nc1ccc(OCC[NH3+])cc1)N1[C@H](C)CC[C@H]1C ZINC000181205947 199265538 /nfs/dbraw/zinc/26/55/38/199265538.db2.gz YWIMKDFPPPIQRH-MCIONIFRSA-N 1 3 305.422 2.224 10 0 DEAEHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc2c1OCCO2 ZINC000092253539 193180515 /nfs/dbraw/zinc/18/05/15/193180515.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 1 3 320.433 2.240 10 0 DEAEHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc2c1OCCO2 ZINC000092253539 193180517 /nfs/dbraw/zinc/18/05/17/193180517.db2.gz GIMCZWVWSHMFLJ-CQSZACIVSA-N 1 3 320.433 2.240 10 0 DEAEHO c1cc(OCCC[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)cc2c1OCO2 ZINC000631886513 368442006 /nfs/dbraw/zinc/44/20/06/368442006.db2.gz IGUBFAAKIQMPJT-ZBFHGGJFSA-N 1 3 318.417 2.258 10 0 DEAEHO c1cc(OCCC[N@H+]2CCC[C@@H]3CNCC[C@@H]32)cc2c1OCO2 ZINC000631886513 368442008 /nfs/dbraw/zinc/44/20/08/368442008.db2.gz IGUBFAAKIQMPJT-ZBFHGGJFSA-N 1 3 318.417 2.258 10 0 DEAEHO CCCN[C@]1(C(N)=O)CCC[C@@H]([N@H+](C)CCC(F)(F)F)C1 ZINC000093756565 193301442 /nfs/dbraw/zinc/30/14/42/193301442.db2.gz ZCPFTDRQKJWWGV-DGCLKSJQSA-N 1 3 309.376 2.037 10 0 DEAEHO CCCN[C@]1(C(N)=O)CCC[C@@H]([N@@H+](C)CCC(F)(F)F)C1 ZINC000093756565 193301443 /nfs/dbraw/zinc/30/14/43/193301443.db2.gz ZCPFTDRQKJWWGV-DGCLKSJQSA-N 1 3 309.376 2.037 10 0 DEAEHO C[N@H+](CCCCO)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915635 194168283 /nfs/dbraw/zinc/16/82/83/194168283.db2.gz BCNIIWMVONWFJQ-IBGZPJMESA-N 1 3 320.477 2.136 10 0 DEAEHO C[N@@H+](CCCCO)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000105915635 194168285 /nfs/dbraw/zinc/16/82/85/194168285.db2.gz BCNIIWMVONWFJQ-IBGZPJMESA-N 1 3 320.477 2.136 10 0 DEAEHO c1cc(C[N@H+]2C[C@@H]3CCN(C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113836 /nfs/dbraw/zinc/11/38/36/257113836.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 1 3 301.434 2.014 10 0 DEAEHO c1cc(C[N@@H+]2C[C@@H]3CCN(C[C@H]4CCCO4)C[C@@H]3C2)ccn1 ZINC000247954415 257113837 /nfs/dbraw/zinc/11/38/37/257113837.db2.gz ZKXRGQZQRGZTND-RCCFBDPRSA-N 1 3 301.434 2.014 10 0 DEAEHO c1ccc(C[N@H+]2C[C@@H]3CCN(C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115107 /nfs/dbraw/zinc/11/51/07/257115107.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 1 3 301.434 2.014 10 0 DEAEHO c1ccc(C[N@@H+]2C[C@@H]3CCN(C[C@H]4CCCO4)C[C@@H]3C2)nc1 ZINC000247876283 257115109 /nfs/dbraw/zinc/11/51/09/257115109.db2.gz ACOZSRMIEDIZFJ-LZLYRXPVSA-N 1 3 301.434 2.014 10 0 DEAEHO O=C(CCN1CCC(C[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000052441493 132487323 /nfs/dbraw/zinc/48/73/23/132487323.db2.gz TUSBKPPTXCKNPJ-UHFFFAOYSA-N 1 3 307.482 2.243 10 0 DEAEHO Cc1cnn(CCN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000123942057 144704936 /nfs/dbraw/zinc/70/49/36/144704936.db2.gz GYGUPRHMZITQKY-INIZCTEOSA-N 1 3 316.449 2.483 10 0 DEAEHO C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000248997012 145175139 /nfs/dbraw/zinc/17/51/39/145175139.db2.gz PFMNHYJJMXRGQQ-VUCRHFMTSA-N 1 3 309.498 2.091 10 0 DEAEHO Cn1c2ccc(CN3CCC[C@H](CC[NH3+])C3)cc2sc1=O ZINC000261792208 145226888 /nfs/dbraw/zinc/22/68/88/145226888.db2.gz GGCLDKUQLYQMMR-GFCCVEGCSA-N 1 3 305.447 2.161 10 0 DEAEHO C[C@H]([NH3+])C1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000261920502 145241747 /nfs/dbraw/zinc/24/17/47/145241747.db2.gz KJYFJLMLQKYMJZ-NSHDSACASA-N 1 3 305.447 2.159 10 0 DEAEHO CCN(C(=O)[C@H](C)C[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262469072 145285839 /nfs/dbraw/zinc/28/58/39/145285839.db2.gz YBAGAEXSJXBNSQ-INMHGKMJSA-N 1 3 303.450 2.265 10 0 DEAEHO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263189835 145334247 /nfs/dbraw/zinc/33/42/47/145334247.db2.gz HSEPDZNCROWEGO-XGXHKWSGSA-N 1 3 318.461 2.280 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246383603 402528123 /nfs/dbraw/zinc/52/81/23/402528123.db2.gz IMGFBEGYCBZNKL-ZACQAIPSSA-N 1 3 324.513 2.090 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000246383603 402528125 /nfs/dbraw/zinc/52/81/25/402528125.db2.gz IMGFBEGYCBZNKL-ZACQAIPSSA-N 1 3 324.513 2.090 10 0 DEAEHO C[C@@H]1C[C@@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@@H+]1C ZINC000179743400 402599595 /nfs/dbraw/zinc/59/95/95/402599595.db2.gz ULZVKVHXZCHWBT-CABCVRRESA-N 1 3 318.465 2.449 10 0 DEAEHO C[C@@H]1C[C@@H](Nc2ccc(OC3CCN(C)CC3)nc2)CC[N@H+]1C ZINC000179743400 402599597 /nfs/dbraw/zinc/59/95/97/402599597.db2.gz ULZVKVHXZCHWBT-CABCVRRESA-N 1 3 318.465 2.449 10 0 DEAEHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249811221 402642448 /nfs/dbraw/zinc/64/24/48/402642448.db2.gz YVMNIDIUDCOISR-DLBZAZTESA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249811221 402642451 /nfs/dbraw/zinc/64/24/51/402642451.db2.gz YVMNIDIUDCOISR-DLBZAZTESA-N 1 3 318.465 2.073 10 0 DEAEHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000173669343 402707413 /nfs/dbraw/zinc/70/74/13/402707413.db2.gz UFCPMOALFPLLQL-WBVHZDCISA-N 1 3 324.513 2.231 10 0 DEAEHO c1nc([C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000261814012 402717705 /nfs/dbraw/zinc/71/77/05/402717705.db2.gz PZKSCXJVZZNGEA-HOTGVXAUSA-N 1 3 302.466 2.398 10 0 DEAEHO CCN1CCC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174195305 402731379 /nfs/dbraw/zinc/73/13/79/402731379.db2.gz PCZCJBJUAGXXIH-MRXNPFEDSA-N 1 3 312.502 2.279 10 0 DEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000194128969 402785094 /nfs/dbraw/zinc/78/50/94/402785094.db2.gz YVMNIDIUDCOISR-SJORKVTESA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000194128969 402785096 /nfs/dbraw/zinc/78/50/96/402785096.db2.gz YVMNIDIUDCOISR-SJORKVTESA-N 1 3 318.465 2.073 10 0 DEAEHO COC[C@](C)(O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000580468025 405624715 /nfs/dbraw/zinc/62/47/15/405624715.db2.gz KUWHEGFBGXZEIT-AKHDSKFASA-N 1 3 318.461 2.169 10 0 DEAEHO COC[C@](C)(O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580468025 405624720 /nfs/dbraw/zinc/62/47/20/405624720.db2.gz KUWHEGFBGXZEIT-AKHDSKFASA-N 1 3 318.461 2.169 10 0 DEAEHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851384 405713877 /nfs/dbraw/zinc/71/38/77/405713877.db2.gz JLNGLXKSNNERJZ-NVXWUHKLSA-N 1 3 303.450 2.285 10 0 DEAEHO CN(C)CCc1ccccc1NC(=O)N(C)CCC[NH+](C)C ZINC000527087287 406580555 /nfs/dbraw/zinc/58/05/55/406580555.db2.gz BRLLRTVTCYWCIH-UHFFFAOYSA-N 1 3 306.454 2.206 10 0 DEAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000390700833 424917813 /nfs/dbraw/zinc/91/78/13/424917813.db2.gz CQFPQIJDQFJXOE-ROUUACIJSA-N 1 3 317.477 2.388 10 0 DEAEHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)N(C)Cc1ccccc1 ZINC000407360408 424932176 /nfs/dbraw/zinc/93/21/76/424932176.db2.gz HEJSZZPGMDHDAC-FHLIZLRMSA-N 1 3 315.461 2.154 10 0 DEAEHO CC1CCC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000236788861 278522470 /nfs/dbraw/zinc/52/24/70/278522470.db2.gz PMDRYWPMGWIIBH-YZUHTNEWSA-N 1 3 307.482 2.227 10 0 DEAEHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097174 635539333 /nfs/dbraw/zinc/53/93/33/635539333.db2.gz DDOKMLFWCSBJKV-BDXSIMOUSA-N 1 3 321.440 2.180 10 0 DEAEHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncc(F)c3)C2)[C@@H]1C(C)C ZINC000888097174 635539339 /nfs/dbraw/zinc/53/93/39/635539339.db2.gz DDOKMLFWCSBJKV-BDXSIMOUSA-N 1 3 321.440 2.180 10 0 DEAEHO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000742242131 638054054 /nfs/dbraw/zinc/05/40/54/638054054.db2.gz SGTJWOOEGSWXIV-MRXNPFEDSA-N 1 3 315.461 2.497 10 0 DEAEHO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000742242131 638054058 /nfs/dbraw/zinc/05/40/58/638054058.db2.gz SGTJWOOEGSWXIV-MRXNPFEDSA-N 1 3 315.461 2.497 10 0 DEAEHO CO[C@@](C)(CO)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716634425 792982964 /nfs/dbraw/zinc/98/29/64/792982964.db2.gz AVZVBDJXJYSYGJ-ZSYWTGECSA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@@](C)(CO)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716634425 792982968 /nfs/dbraw/zinc/98/29/68/792982968.db2.gz AVZVBDJXJYSYGJ-ZSYWTGECSA-N 1 3 318.461 2.027 10 0 DEAEHO CO[C@@](C)(CO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccccc1)C2 ZINC000716634425 792982972 /nfs/dbraw/zinc/98/29/72/792982972.db2.gz AVZVBDJXJYSYGJ-ZSYWTGECSA-N 1 3 318.461 2.027 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000721944800 1085025361 /nfs/dbraw/zinc/02/53/61/1085025361.db2.gz UMTBYCFGXDIAMS-FXUDXRNXSA-N 1 3 323.481 2.458 10 0 DEAEHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000721944800 1085025365 /nfs/dbraw/zinc/02/53/65/1085025365.db2.gz UMTBYCFGXDIAMS-FXUDXRNXSA-N 1 3 323.481 2.458 10 0 DEAEHO CC1(C)C[NH2+]C[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711250972 1087036012 /nfs/dbraw/zinc/03/60/12/1087036012.db2.gz OSNPMDRUGFTVEL-IRXDYDNUSA-N 1 3 315.461 2.013 10 0 DEAEHO CN(C)CCn1ncc(Cl)c1C[C@H](C[NH3+])c1ccccc1 ZINC000163602290 197640977 /nfs/dbraw/zinc/64/09/77/197640977.db2.gz FTHQSLQBEPKWTM-CQSZACIVSA-N 1 3 306.841 2.383 10 0 DEAEHO CN(C)CCN(C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000082539578 185190930 /nfs/dbraw/zinc/19/09/30/185190930.db2.gz YRUWWZRDLPOKCK-SNVBAGLBSA-N 1 3 306.273 2.004 10 0 DEAEHO CCN(CC)CCN[C@@H](C[NH3+])c1ccccc1Br ZINC000087912782 185237289 /nfs/dbraw/zinc/23/72/89/185237289.db2.gz RLPHCWGJRKAACT-AWEZNQCLSA-N 1 3 314.271 2.380 10 0 DEAEHO CCN(CC)CCN[C@H](C[NH3+])c1ccccc1Br ZINC000087912783 185237360 /nfs/dbraw/zinc/23/73/60/185237360.db2.gz RLPHCWGJRKAACT-CQSZACIVSA-N 1 3 314.271 2.380 10 0 DEAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000152419267 186070719 /nfs/dbraw/zinc/07/07/19/186070719.db2.gz YSJAVPPKEXXTBQ-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000152419267 186070721 /nfs/dbraw/zinc/07/07/21/186070721.db2.gz YSJAVPPKEXXTBQ-BBWFWOEESA-N 1 3 324.513 2.088 10 0 DEAEHO CN(C)CCn1ncc(Cl)c1[C@@](C)(F)[C@@H]1CCC[NH2+]C1 ZINC000164005448 186145252 /nfs/dbraw/zinc/14/52/52/186145252.db2.gz CGASUWKOMPSOGR-RISCZKNCSA-N 1 3 302.825 2.282 10 0 DEAEHO COc1ccccc1N1CCN(C2C[C@H]3CC([NH3+])C[C@@H]3C2)CC1 ZINC000038296391 354167725 /nfs/dbraw/zinc/16/77/25/354167725.db2.gz RYFNTWUMDXXCPE-NUWOQIAWSA-N 1 3 315.461 2.333 10 0 DEAEHO C[NH+](C)[C@@H]1CCCN([C@@H](CN)c2cc(F)c(F)c(F)c2)C1 ZINC000091392791 193051052 /nfs/dbraw/zinc/05/10/52/193051052.db2.gz PQIUBEMUSKOWOT-RISCZKNCSA-N 1 3 301.356 2.130 10 0 DEAEHO CC1(C)[C@H](NCC2([NH3+])CCOCC2)C[C@@H]1OCc1ccccc1 ZINC000629389023 367188230 /nfs/dbraw/zinc/18/82/30/367188230.db2.gz HZDRPZZQYSAXNW-SJORKVTESA-N 1 3 318.461 2.468 10 0 DEAEHO CC[NH2+][C@H]1[C@@H](CN(CCCOC)CCOC)CCC1(C)C ZINC000094317438 193359212 /nfs/dbraw/zinc/35/92/12/193359212.db2.gz VJTSVEOXUXTEPZ-CVEARBPZSA-N 1 3 300.487 2.386 10 0 DEAEHO C[C@H]1CN2CCCC[C@@H]2CN1CC[NH2+]CCc1cccs1 ZINC000094443939 193370365 /nfs/dbraw/zinc/37/03/65/193370365.db2.gz FMRIQFDEAYDQOG-JKSUJKDBSA-N 1 3 307.507 2.439 10 0 DEAEHO CC[NH+](CC)CCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000043004579 183327137 /nfs/dbraw/zinc/32/71/37/183327137.db2.gz WWAPIGDKPOYNKV-KRWDZBQOSA-N 1 3 320.481 2.320 10 0 DEAEHO NNc1ccc(Cl)c(CN2CCN(C3CCCC3)CC2)[nH+]1 ZINC000061639114 184180007 /nfs/dbraw/zinc/18/00/07/184180007.db2.gz NTBGOWZDMYXRTC-UHFFFAOYSA-N 1 3 309.845 2.081 10 0 DEAEHO CN(C)CCn1ncc(Br)c1[C@@H]([NH3+])C1CCCC1 ZINC000158834414 197305088 /nfs/dbraw/zinc/30/50/88/197305088.db2.gz IDZDFXGQFZNVQZ-LBPRGKRZSA-N 1 3 315.259 2.397 10 0 DEAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCCCC1 ZINC000173905648 285243726 /nfs/dbraw/zinc/24/37/26/285243726.db2.gz QFKJAFPKKRZTSO-QGZVFWFLSA-N 1 3 324.513 2.377 10 0 DEAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCCCC1 ZINC000173905648 285243727 /nfs/dbraw/zinc/24/37/27/285243727.db2.gz QFKJAFPKKRZTSO-QGZVFWFLSA-N 1 3 324.513 2.377 10 0 DEAEHO c1cc2c(cc1CN1CCS[C@@H]3COCC[C@@H]31)C[NH2+]CC2 ZINC000564803585 292111771 /nfs/dbraw/zinc/11/17/71/292111771.db2.gz KGJPRVOUIBQCSX-DLBZAZTESA-N 1 3 304.459 2.039 10 0 DEAEHO C[C@@H]1CCCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247396411 145135941 /nfs/dbraw/zinc/13/59/41/145135941.db2.gz HESZLPJQCNEEPK-MGNMYUMUSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@@H]1CCCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247396411 145135942 /nfs/dbraw/zinc/13/59/42/145135942.db2.gz HESZLPJQCNEEPK-MGNMYUMUSA-N 1 3 322.497 2.033 10 0 DEAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002946 145352241 /nfs/dbraw/zinc/35/22/41/145352241.db2.gz RSGXVWSSSDKVRR-AVOUXACISA-N 1 3 311.470 2.457 10 0 DEAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)C(=O)OC(C)(C)C ZINC000310002946 145352242 /nfs/dbraw/zinc/35/22/42/145352242.db2.gz RSGXVWSSSDKVRR-AVOUXACISA-N 1 3 311.470 2.457 10 0 DEAEHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269721 148224718 /nfs/dbraw/zinc/22/47/18/148224718.db2.gz OYGNYWWCUAYLHI-FUHWJXTLSA-N 1 3 311.433 2.183 10 0 DEAEHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269721 148224722 /nfs/dbraw/zinc/22/47/22/148224722.db2.gz OYGNYWWCUAYLHI-FUHWJXTLSA-N 1 3 311.433 2.183 10 0 DEAEHO CN1CCC[C@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269721 148224724 /nfs/dbraw/zinc/22/47/24/148224724.db2.gz OYGNYWWCUAYLHI-FUHWJXTLSA-N 1 3 311.433 2.183 10 0 DEAEHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)CC[C@H]21 ZINC000374269721 148224725 /nfs/dbraw/zinc/22/47/25/148224725.db2.gz OYGNYWWCUAYLHI-FUHWJXTLSA-N 1 3 311.433 2.183 10 0 DEAEHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000077644738 401823102 /nfs/dbraw/zinc/82/31/02/401823102.db2.gz FKSJISHPUMNZAZ-MRXNPFEDSA-N 1 3 322.497 2.131 10 0 DEAEHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(C2CC2)CC1 ZINC000077644738 401823105 /nfs/dbraw/zinc/82/31/05/401823105.db2.gz FKSJISHPUMNZAZ-MRXNPFEDSA-N 1 3 322.497 2.131 10 0 DEAEHO C[C@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CN1C1CC1 ZINC000122148068 402063405 /nfs/dbraw/zinc/06/34/05/402063405.db2.gz LFUKBRIIUKSAAX-SLTXQBBLSA-N 1 3 322.497 2.031 10 0 DEAEHO CC[N@H+](CCNC(=O)N[C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000101977100 402159717 /nfs/dbraw/zinc/15/97/17/402159717.db2.gz BNAUXYQEQVWPHC-QGZVFWFLSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@@H+](CCNC(=O)N[C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000101977100 402159718 /nfs/dbraw/zinc/15/97/18/402159718.db2.gz BNAUXYQEQVWPHC-QGZVFWFLSA-N 1 3 318.465 2.073 10 0 DEAEHO C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)N(C)C1CC1 ZINC000107846988 402241641 /nfs/dbraw/zinc/24/16/41/402241641.db2.gz XEONCICDCHSYCI-RDJZCZTQSA-N 1 3 322.497 2.129 10 0 DEAEHO C[NH+](C)CCOCCNCc1ccc(Br)c(F)c1 ZINC000226744895 402329648 /nfs/dbraw/zinc/32/96/48/402329648.db2.gz GTISMIXFPYSUKL-UHFFFAOYSA-N 1 3 319.218 2.256 10 0 DEAEHO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000163574035 402452832 /nfs/dbraw/zinc/45/28/32/402452832.db2.gz AMOIGRSVHAMYAK-MAUKXSAKSA-N 1 3 315.461 2.409 10 0 DEAEHO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245682410 402479484 /nfs/dbraw/zinc/47/94/84/402479484.db2.gz VPICASQSCQVJDY-IRXDYDNUSA-N 1 3 318.465 2.073 10 0 DEAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246021828 402504456 /nfs/dbraw/zinc/50/44/56/402504456.db2.gz OTJRRYAHTMCVDH-BRWVUGGUSA-N 1 3 324.513 2.090 10 0 DEAEHO CCC[NH+](CCC)CCCNC(=O)N1CCCN(C2CC2)CC1 ZINC000171244010 402570322 /nfs/dbraw/zinc/57/03/22/402570322.db2.gz DMRVIUREFBCZCP-UHFFFAOYSA-N 1 3 324.513 2.378 10 0 DEAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000170757478 402521165 /nfs/dbraw/zinc/52/11/65/402521165.db2.gz VNEMZNUDEVWKOF-WBVHZDCISA-N 1 3 320.481 2.319 10 0 DEAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000170757478 402521166 /nfs/dbraw/zinc/52/11/66/402521166.db2.gz VNEMZNUDEVWKOF-WBVHZDCISA-N 1 3 320.481 2.319 10 0 DEAEHO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCCN3CCCC3)CC2)C1 ZINC000170793963 402526154 /nfs/dbraw/zinc/52/61/54/402526154.db2.gz GJQPBTYHMCUXHR-QGZVFWFLSA-N 1 3 321.509 2.443 10 0 DEAEHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000246570484 402536838 /nfs/dbraw/zinc/53/68/38/402536838.db2.gz YLIPSFHFKLZDPK-ULQDDVLXSA-N 1 3 324.513 2.233 10 0 DEAEHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000246570484 402536839 /nfs/dbraw/zinc/53/68/39/402536839.db2.gz YLIPSFHFKLZDPK-ULQDDVLXSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H](NCC1(C)OCCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000190674757 402617714 /nfs/dbraw/zinc/61/77/14/402617714.db2.gz VESSFGYYVUTLLH-OAHLLOKOSA-N 1 3 322.449 2.431 10 0 DEAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249811227 402642365 /nfs/dbraw/zinc/64/23/65/402642365.db2.gz YVMNIDIUDCOISR-IAGOWNOFSA-N 1 3 318.465 2.073 10 0 DEAEHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249811227 402642369 /nfs/dbraw/zinc/64/23/69/402642369.db2.gz YVMNIDIUDCOISR-IAGOWNOFSA-N 1 3 318.465 2.073 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000175106270 402779534 /nfs/dbraw/zinc/77/95/34/402779534.db2.gz PBHJAFANJMCARD-PBHICJAKSA-N 1 3 303.450 2.303 10 0 DEAEHO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000175106270 402779537 /nfs/dbraw/zinc/77/95/37/402779537.db2.gz PBHJAFANJMCARD-PBHICJAKSA-N 1 3 303.450 2.303 10 0 DEAEHO O=C(Nc1ccccc1)N1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000333277759 403714270 /nfs/dbraw/zinc/71/42/70/403714270.db2.gz LTTLMJNTOCKNMV-HOTGVXAUSA-N 1 3 302.422 2.025 10 0 DEAEHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361220381 404980387 /nfs/dbraw/zinc/98/03/87/404980387.db2.gz LOOSWHZJXRSKIY-QGZVFWFLSA-N 1 3 307.482 2.384 10 0 DEAEHO CC[NH2+][C@H](CCCS(=O)(=O)CC)C1C[C@H]2CC[C@@H](C1)N2C ZINC000129316883 196039039 /nfs/dbraw/zinc/03/90/39/196039039.db2.gz UCECBOMGCNKDSE-WTXIUTQJSA-N 1 3 316.511 2.052 10 0 DEAEHO c1nc(C2CC2)ncc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423011551 230315473 /nfs/dbraw/zinc/31/54/73/230315473.db2.gz JEZOFRWNSFVBKC-BBWFWOEESA-N 1 3 300.450 2.407 10 0 DEAEHO CN(C(=O)C1(C[NH3+])CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000390798866 424917415 /nfs/dbraw/zinc/91/74/15/424917415.db2.gz MMFOGPGJUIRHAF-KRWDZBQOSA-N 1 3 315.461 2.238 10 0 DEAEHO OC1(C[NH2+]C[C@@H]2CCSC2)CCN(Cc2ccccc2)CC1 ZINC000397521331 269106468 /nfs/dbraw/zinc/10/64/68/269106468.db2.gz UYFSDYUADZQIHQ-KRWDZBQOSA-N 1 3 320.502 2.356 10 0 DEAEHO N=C1Nc2nc3ccccc3n2C2(CC[NH+](C3CCCC3)CC2)N1 ZINC000069623713 274943297 /nfs/dbraw/zinc/94/32/97/274943297.db2.gz UGAJRAKKGSCXOL-UHFFFAOYSA-N 1 3 324.432 2.277 10 0 DEAEHO C[NH+](C)CC[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)C(C)(C)C ZINC000175014872 289182907 /nfs/dbraw/zinc/18/29/07/289182907.db2.gz CIJUUNDXAOTWPN-HOTGVXAUSA-N 1 3 322.497 2.009 10 0 DEAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000261781591 295271751 /nfs/dbraw/zinc/27/17/51/295271751.db2.gz PJEPBHMMNFFLPI-IAGOWNOFSA-N 1 3 307.482 2.086 10 0 DEAEHO c1nc([C@H]2CCCO2)sc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576823700 326321972 /nfs/dbraw/zinc/32/19/72/326321972.db2.gz WWEAUROOLPGZRJ-VNHYZAJKSA-N 1 3 307.463 2.426 10 0 DEAEHO CN(C)C1(CN(C)C(=O)NC2CCC(C[NH+](C)C)CC2)CCC1 ZINC000190018792 336258612 /nfs/dbraw/zinc/25/86/12/336258612.db2.gz FXLZOLDKSAJRJH-UHFFFAOYSA-N 1 3 324.513 2.233 10 0 DEAEHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398014383 337303986 /nfs/dbraw/zinc/30/39/86/337303986.db2.gz FMYOHQURMCMFFS-NXHRZFHOSA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000398163305 337307721 /nfs/dbraw/zinc/30/77/21/337307721.db2.gz SNDPNIFNMNESEG-SUMDDJOVSA-N 1 3 315.461 2.155 10 0 DEAEHO C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(C)CC1 ZINC000246269265 524442483 /nfs/dbraw/zinc/44/24/83/524442483.db2.gz LQMFWKKWONLZJM-NCOADZHNSA-N 1 3 307.482 2.144 10 0 DEAEHO