smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000310075512 231110967 /nfs/dbraw/zinc/11/09/67/231110967.db2.gz GGCBLNYTZUPFRD-HXUWFJFHSA-N 2 1 322.456 2.899 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081983839 398378133 /nfs/dbraw/zinc/37/81/33/398378133.db2.gz RANMHYCRUJTLJR-ZFWWWQNUSA-N 2 1 306.479 2.611 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000579946953 398384785 /nfs/dbraw/zinc/38/47/85/398384785.db2.gz JBABNILVRWCFIW-NRFANRHFSA-N 2 1 324.468 2.983 20 30 DFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(Cl)c1C#N ZINC000596365189 398395508 /nfs/dbraw/zinc/39/55/08/398395508.db2.gz VSFSNOWPBBOEJM-ZDUSSCGKSA-N 2 1 308.857 2.896 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000069754103 398582635 /nfs/dbraw/zinc/58/26/35/398582635.db2.gz RDMNBCNRCKHUEI-UHFFFAOYSA-N 2 1 311.433 2.721 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C#N)cc1 ZINC000597198245 398588323 /nfs/dbraw/zinc/58/83/23/398588323.db2.gz MFSJRMPUDCXAFR-WMZOPIPTSA-N 2 1 301.434 2.799 20 30 DFEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000598590002 398837171 /nfs/dbraw/zinc/83/71/71/398837171.db2.gz NMYRGJMROIPSKD-MSOLQXFVSA-N 2 1 321.509 2.875 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598715751 398860551 /nfs/dbraw/zinc/86/05/51/398860551.db2.gz STPGNLGLXFBKEI-BBWFWOEESA-N 2 1 309.498 2.635 20 30 DFEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711062 399120018 /nfs/dbraw/zinc/12/00/18/399120018.db2.gz QRRRKFNYUQZBGR-UHOSZYNNSA-N 2 1 313.445 2.585 20 30 DFEDMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1C#N ZINC000596058734 399157484 /nfs/dbraw/zinc/15/74/84/399157484.db2.gz IPAYNOKUKAEPOJ-QGZVFWFLSA-N 2 1 313.445 2.778 20 30 DFEDMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1C#N ZINC000596058734 399157488 /nfs/dbraw/zinc/15/74/88/399157488.db2.gz IPAYNOKUKAEPOJ-QGZVFWFLSA-N 2 1 313.445 2.778 20 30 DFEDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1C#N ZINC000596058729 399157845 /nfs/dbraw/zinc/15/78/45/399157845.db2.gz IPAYNOKUKAEPOJ-KRWDZBQOSA-N 2 1 313.445 2.778 20 30 DFEDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1C#N ZINC000596058729 399157851 /nfs/dbraw/zinc/15/78/51/399157851.db2.gz IPAYNOKUKAEPOJ-KRWDZBQOSA-N 2 1 313.445 2.778 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746009 399160450 /nfs/dbraw/zinc/16/04/50/399160450.db2.gz HFVRVZFYDSLUAO-IRXDYDNUSA-N 2 1 321.509 2.654 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746009 399160453 /nfs/dbraw/zinc/16/04/53/399160453.db2.gz HFVRVZFYDSLUAO-IRXDYDNUSA-N 2 1 321.509 2.654 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614402320 399225887 /nfs/dbraw/zinc/22/58/87/399225887.db2.gz SNKMQXGBFLWAID-LJQANCHMSA-N 2 1 315.461 2.799 20 30 DFEDMP C=CC[C@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285430330 335026104 /nfs/dbraw/zinc/02/61/04/335026104.db2.gz YPBSOURYICRYFF-JLAWEPINSA-N 2 1 302.462 2.956 20 30 DFEDMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000109786032 194285182 /nfs/dbraw/zinc/28/51/82/194285182.db2.gz OZRMITGDKPKKKA-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000109786032 194285184 /nfs/dbraw/zinc/28/51/84/194285184.db2.gz OZRMITGDKPKKKA-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2C#N)CC1 ZINC000109786888 194286048 /nfs/dbraw/zinc/28/60/48/194286048.db2.gz IYOKOBZPZUMZJO-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000109786888 194286049 /nfs/dbraw/zinc/28/60/49/194286049.db2.gz IYOKOBZPZUMZJO-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610813269 399408611 /nfs/dbraw/zinc/40/86/11/399408611.db2.gz BSPKDRITVPVSSS-OAHLLOKOSA-N 2 1 323.444 2.819 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610991462 399424908 /nfs/dbraw/zinc/42/49/08/399424908.db2.gz LDWBJSBARREGCG-UHFFFAOYSA-N 2 1 300.450 2.897 20 30 DFEDMP C=CCc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(OC)c1O ZINC000623655860 399436863 /nfs/dbraw/zinc/43/68/63/399436863.db2.gz HRQXBAGJERPABK-OAHLLOKOSA-N 2 1 318.461 2.951 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000602520897 399467180 /nfs/dbraw/zinc/46/71/80/399467180.db2.gz KYSSKRIMYRQZCJ-DLBZAZTESA-N 2 1 315.461 2.937 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000602520897 399467181 /nfs/dbraw/zinc/46/71/81/399467181.db2.gz KYSSKRIMYRQZCJ-DLBZAZTESA-N 2 1 315.461 2.937 20 30 DFEDMP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000602536032 399469969 /nfs/dbraw/zinc/46/99/69/399469969.db2.gz WCHYIDXQUAZGAW-GOSISDBHSA-N 2 1 320.440 2.607 20 30 DFEDMP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000602536032 399469971 /nfs/dbraw/zinc/46/99/71/399469971.db2.gz WCHYIDXQUAZGAW-GOSISDBHSA-N 2 1 320.440 2.607 20 30 DFEDMP N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157330369 197179672 /nfs/dbraw/zinc/17/96/72/197179672.db2.gz IZURETZQWJPJFU-SFHVURJKSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157330369 197179674 /nfs/dbraw/zinc/17/96/74/197179674.db2.gz IZURETZQWJPJFU-SFHVURJKSA-N 2 1 313.445 2.887 20 30 DFEDMP CN(c1ccccc1C[NH2+]CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000612588275 399683340 /nfs/dbraw/zinc/68/33/40/399683340.db2.gz XODFXAUBDSGJPH-UHFFFAOYSA-N 2 1 314.477 2.856 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000361530535 149140698 /nfs/dbraw/zinc/14/06/98/149140698.db2.gz KHIJFOQRCORCDQ-OAHLLOKOSA-N 2 1 322.412 2.845 20 30 DFEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305818981 287023041 /nfs/dbraw/zinc/02/30/41/287023041.db2.gz NSVKPZRQHAXOPL-ZBFHGGJFSA-N 2 1 319.424 2.585 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000677048159 544425466 /nfs/dbraw/zinc/42/54/66/544425466.db2.gz OGTZDTIBTZQIPD-LJQANCHMSA-N 2 1 302.462 2.767 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000677048158 544425802 /nfs/dbraw/zinc/42/58/02/544425802.db2.gz OGTZDTIBTZQIPD-IBGZPJMESA-N 2 1 302.462 2.767 20 30 DFEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050272 544589367 /nfs/dbraw/zinc/58/93/67/544589367.db2.gz WVVKWTNRQQBLDN-AQNXPRMDSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050272 544589372 /nfs/dbraw/zinc/58/93/72/544589372.db2.gz WVVKWTNRQQBLDN-AQNXPRMDSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678050272 544589376 /nfs/dbraw/zinc/58/93/76/544589376.db2.gz WVVKWTNRQQBLDN-AQNXPRMDSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678050272 544589380 /nfs/dbraw/zinc/58/93/80/544589380.db2.gz WVVKWTNRQQBLDN-AQNXPRMDSA-N 2 1 314.473 2.910 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000353530251 267080898 /nfs/dbraw/zinc/08/08/98/267080898.db2.gz LMQHZYRGKSNLME-QAPCUYQASA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000353530251 267080901 /nfs/dbraw/zinc/08/09/01/267080901.db2.gz LMQHZYRGKSNLME-QAPCUYQASA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000353530238 267091687 /nfs/dbraw/zinc/09/16/87/267091687.db2.gz LMQHZYRGKSNLME-CRAIPNDOSA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000353530238 267091688 /nfs/dbraw/zinc/09/16/88/267091688.db2.gz LMQHZYRGKSNLME-CRAIPNDOSA-N 2 1 312.461 2.599 20 30 DFEDMP CC[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]1 ZINC000422997987 267193866 /nfs/dbraw/zinc/19/38/66/267193866.db2.gz VWCPAUZXNOEGNY-SJORKVTESA-N 2 1 303.475 2.912 20 30 DFEDMP CCc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000450220784 267245895 /nfs/dbraw/zinc/24/58/95/267245895.db2.gz LCZLNEAPLNDTAX-UHFFFAOYSA-N 2 1 306.413 2.838 20 30 DFEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000421356991 267334687 /nfs/dbraw/zinc/33/46/87/267334687.db2.gz MOWBSTPZVXNQRB-QGZVFWFLSA-N 2 1 301.409 2.861 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000270638267 268194738 /nfs/dbraw/zinc/19/47/38/268194738.db2.gz MRDWJDDOFPXCBQ-UHFFFAOYSA-N 2 1 324.428 2.997 20 30 DFEDMP CC(C)[NH2+]C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000126097342 426004231 /nfs/dbraw/zinc/00/42/31/426004231.db2.gz HOESDLKVFHROOV-UHFFFAOYSA-N 2 1 301.434 2.790 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000106246021 425971768 /nfs/dbraw/zinc/97/17/68/425971768.db2.gz GDXGQQYQUFPBFU-UHFFFAOYSA-N 2 1 302.418 2.588 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171640964 426201496 /nfs/dbraw/zinc/20/14/96/426201496.db2.gz QULFNSMRZLUQBY-QGZVFWFLSA-N 2 1 322.412 2.766 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096455 426220501 /nfs/dbraw/zinc/22/05/01/426220501.db2.gz IXGKTOMWOLHXGS-CRAIPNDOSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096455 426220504 /nfs/dbraw/zinc/22/05/04/426220504.db2.gz IXGKTOMWOLHXGS-CRAIPNDOSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096455 426220507 /nfs/dbraw/zinc/22/05/07/426220507.db2.gz IXGKTOMWOLHXGS-CRAIPNDOSA-N 2 1 301.434 2.599 20 30 DFEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)n2c1 ZINC000176993009 426432376 /nfs/dbraw/zinc/43/23/76/426432376.db2.gz CQQSCDUOJRXLMO-UHFFFAOYSA-N 2 1 323.444 2.703 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000178311817 426604462 /nfs/dbraw/zinc/60/44/62/426604462.db2.gz KUMNSQGDGGGIMJ-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000178311817 426604470 /nfs/dbraw/zinc/60/44/70/426604470.db2.gz KUMNSQGDGGGIMJ-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP C=CCC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247657438 426956591 /nfs/dbraw/zinc/95/65/91/426956591.db2.gz XENQGRIOJQJMQK-MOPGFXCFSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247657438 426956598 /nfs/dbraw/zinc/95/65/98/426956598.db2.gz XENQGRIOJQJMQK-MOPGFXCFSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247657438 426956606 /nfs/dbraw/zinc/95/66/06/426956606.db2.gz XENQGRIOJQJMQK-MOPGFXCFSA-N 2 1 302.462 2.767 20 30 DFEDMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000190484657 427121757 /nfs/dbraw/zinc/12/17/57/427121757.db2.gz KUBVBUZXTVFGTG-HXUWFJFHSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000190484657 427121765 /nfs/dbraw/zinc/12/17/65/427121765.db2.gz KUBVBUZXTVFGTG-HXUWFJFHSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000190484657 427121770 /nfs/dbraw/zinc/12/17/70/427121770.db2.gz KUBVBUZXTVFGTG-HXUWFJFHSA-N 2 1 320.440 2.907 20 30 DFEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C#N ZINC000190948577 427213106 /nfs/dbraw/zinc/21/31/06/427213106.db2.gz WQETZEPKFGDQLG-SFHVURJKSA-N 2 1 322.456 2.551 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262424943 427359638 /nfs/dbraw/zinc/35/96/38/427359638.db2.gz RANMHYCRUJTLJR-DZGCQCFKSA-N 2 1 306.479 2.611 20 30 DFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1cccc(Cl)c1 ZINC000262507664 427362619 /nfs/dbraw/zinc/36/26/19/427362619.db2.gz ANQMZXQUMHAHCT-UHFFFAOYSA-N 2 1 319.840 2.552 20 30 DFEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000263252142 427448195 /nfs/dbraw/zinc/44/81/95/427448195.db2.gz PHOPERADPCSPEH-MRXNPFEDSA-N 2 1 318.465 2.914 20 30 DFEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)NC(C)(C)C ZINC000263266747 427449207 /nfs/dbraw/zinc/44/92/07/427449207.db2.gz VLBBXDJHVCKIPH-CQSZACIVSA-N 2 1 306.454 2.688 20 30 DFEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOCCC#N)CC1 ZINC000339026174 427632190 /nfs/dbraw/zinc/63/21/90/427632190.db2.gz WMIVUHTZWRQARG-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+]=C(NCCCC[N@H+]1CCCC[C@H]1C)NCc1ccco1 ZINC000264040351 427641453 /nfs/dbraw/zinc/64/14/53/427641453.db2.gz IJFXIOKMSCFZTE-OAHLLOKOSA-N 2 1 306.454 2.599 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000264115418 427662099 /nfs/dbraw/zinc/66/20/99/427662099.db2.gz PVIYYPAOKQJDJZ-CQSZACIVSA-N 2 1 304.438 2.686 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264130075 427663066 /nfs/dbraw/zinc/66/30/66/427663066.db2.gz SYKLUODMAMPOJO-KRWDZBQOSA-N 2 1 318.465 2.537 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000295047310 427671268 /nfs/dbraw/zinc/67/12/68/427671268.db2.gz PYOKCVZFKAJRMX-INIZCTEOSA-N 2 1 304.434 2.700 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000295047310 427671275 /nfs/dbraw/zinc/67/12/75/427671275.db2.gz PYOKCVZFKAJRMX-INIZCTEOSA-N 2 1 304.434 2.700 20 30 DFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000341376271 428052138 /nfs/dbraw/zinc/05/21/38/428052138.db2.gz YAWLHVYRVYACLJ-JENIJYKNSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000341376271 428052142 /nfs/dbraw/zinc/05/21/42/428052142.db2.gz YAWLHVYRVYACLJ-JENIJYKNSA-N 2 1 302.462 2.814 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(OC)n2)CC1 ZINC000341204191 428011832 /nfs/dbraw/zinc/01/18/32/428011832.db2.gz JETPXVSPHWXEHI-HNNXBMFYSA-N 2 1 303.450 2.651 20 30 DFEDMP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000356381654 428152478 /nfs/dbraw/zinc/15/24/78/428152478.db2.gz AJMVIHWFSAEUTK-ZDUSSCGKSA-N 2 1 311.351 2.961 20 30 DFEDMP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000356381654 428152483 /nfs/dbraw/zinc/15/24/83/428152483.db2.gz AJMVIHWFSAEUTK-ZDUSSCGKSA-N 2 1 311.351 2.961 20 30 DFEDMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000356381654 428152486 /nfs/dbraw/zinc/15/24/86/428152486.db2.gz AJMVIHWFSAEUTK-ZDUSSCGKSA-N 2 1 311.351 2.961 20 30 DFEDMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000356381654 428152494 /nfs/dbraw/zinc/15/24/94/428152494.db2.gz AJMVIHWFSAEUTK-ZDUSSCGKSA-N 2 1 311.351 2.961 20 30 DFEDMP C[N@H+]1C[C@@H]2CN(Cc3ccc(C#N)o3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360776647 428434314 /nfs/dbraw/zinc/43/43/14/428434314.db2.gz FOQHNEOTKPHJGM-AYOQOUSVSA-N 2 1 307.397 2.886 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000373037948 428514224 /nfs/dbraw/zinc/51/42/24/428514224.db2.gz RRQMUVAXJVZESB-NVXWUHKLSA-N 2 1 301.434 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000373037948 428514230 /nfs/dbraw/zinc/51/42/30/428514230.db2.gz RRQMUVAXJVZESB-NVXWUHKLSA-N 2 1 301.434 2.894 20 30 DFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000362033271 428610422 /nfs/dbraw/zinc/61/04/22/428610422.db2.gz TVLYIRKKWOSGOP-FQBWVUSXSA-N 2 1 319.493 2.936 20 30 DFEDMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000362033271 428610427 /nfs/dbraw/zinc/61/04/27/428610427.db2.gz TVLYIRKKWOSGOP-FQBWVUSXSA-N 2 1 319.493 2.936 20 30 DFEDMP Cn1c[nH+]c2cc(NCc3cnc4ccc(C#N)cn34)ccc21 ZINC000347781054 428623799 /nfs/dbraw/zinc/62/37/99/428623799.db2.gz TUGARUUBDCDLQQ-UHFFFAOYSA-N 2 1 302.341 2.705 20 30 DFEDMP C=CCOCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348060887 428634856 /nfs/dbraw/zinc/63/48/56/428634856.db2.gz SEVYJJWTQDIRJY-HDICACEKSA-N 2 1 324.509 2.790 20 30 DFEDMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670893 428650316 /nfs/dbraw/zinc/65/03/16/428650316.db2.gz WARIDSRYCLLGHK-KXBFYZLASA-N 2 1 313.445 2.636 20 30 DFEDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670893 428650320 /nfs/dbraw/zinc/65/03/20/428650320.db2.gz WARIDSRYCLLGHK-KXBFYZLASA-N 2 1 313.445 2.636 20 30 DFEDMP N#CC1(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCOCC1 ZINC000374161198 428664836 /nfs/dbraw/zinc/66/48/36/428664836.db2.gz LUGJEWNHNCHIBS-KURKYZTESA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCOCC1 ZINC000374161198 428664842 /nfs/dbraw/zinc/66/48/42/428664842.db2.gz LUGJEWNHNCHIBS-KURKYZTESA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCOCC1 ZINC000374161198 428664847 /nfs/dbraw/zinc/66/48/47/428664847.db2.gz LUGJEWNHNCHIBS-KURKYZTESA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CCOCC1 ZINC000374161204 428665676 /nfs/dbraw/zinc/66/56/76/428665676.db2.gz LUGJEWNHNCHIBS-SQNIBIBYSA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CCOCC1 ZINC000374161204 428665681 /nfs/dbraw/zinc/66/56/81/428665681.db2.gz LUGJEWNHNCHIBS-SQNIBIBYSA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CCOCC1 ZINC000374161204 428665684 /nfs/dbraw/zinc/66/56/84/428665684.db2.gz LUGJEWNHNCHIBS-SQNIBIBYSA-N 2 1 317.477 2.503 20 30 DFEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000353749324 428692211 /nfs/dbraw/zinc/69/22/11/428692211.db2.gz FNKZLNHBJHTCFD-GDBMZVCRSA-N 2 1 311.433 2.511 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000354220933 428922456 /nfs/dbraw/zinc/92/24/56/428922456.db2.gz FZKZQGKRAHPYDE-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000354220933 428922463 /nfs/dbraw/zinc/92/24/63/428922463.db2.gz FZKZQGKRAHPYDE-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000354220933 428922467 /nfs/dbraw/zinc/92/24/67/428922467.db2.gz FZKZQGKRAHPYDE-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCCSCC#N)C2)c1 ZINC000363582629 428948265 /nfs/dbraw/zinc/94/82/65/428948265.db2.gz NDKDTDYGTRXYJZ-OAHLLOKOSA-N 2 1 304.463 2.771 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCCSCC#N)C2)c1 ZINC000363582629 428948270 /nfs/dbraw/zinc/94/82/70/428948270.db2.gz NDKDTDYGTRXYJZ-OAHLLOKOSA-N 2 1 304.463 2.771 20 30 DFEDMP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423296490 429058401 /nfs/dbraw/zinc/05/84/01/429058401.db2.gz HAZQNYOPJDTMEW-KRWDZBQOSA-N 2 1 300.450 2.634 20 30 DFEDMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442776843 429234519 /nfs/dbraw/zinc/23/45/19/429234519.db2.gz DUWFJOYSBAWBGK-WDSOQIARSA-N 2 1 315.461 2.978 20 30 DFEDMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442776843 429234523 /nfs/dbraw/zinc/23/45/23/429234523.db2.gz DUWFJOYSBAWBGK-WDSOQIARSA-N 2 1 315.461 2.978 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(OC)c1O ZINC000442918067 429241395 /nfs/dbraw/zinc/24/13/95/429241395.db2.gz BVBKNPRTRIDLRM-CQSZACIVSA-N 2 1 304.434 2.690 20 30 DFEDMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1C#N ZINC000444000063 429262345 /nfs/dbraw/zinc/26/23/45/429262345.db2.gz ZUQBTSOPBNLFEN-UHFFFAOYSA-N 2 1 315.461 2.846 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000491070516 429321480 /nfs/dbraw/zinc/32/14/80/429321480.db2.gz CTHBFZBEGHSHNA-HOTGVXAUSA-N 2 1 318.461 2.741 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000491070516 429321483 /nfs/dbraw/zinc/32/14/83/429321483.db2.gz CTHBFZBEGHSHNA-HOTGVXAUSA-N 2 1 318.461 2.741 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000491651670 429385357 /nfs/dbraw/zinc/38/53/57/429385357.db2.gz IDFUZMXZGIRFRH-LPHOPBHVSA-N 2 1 318.436 2.838 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000491651670 429385361 /nfs/dbraw/zinc/38/53/61/429385361.db2.gz IDFUZMXZGIRFRH-LPHOPBHVSA-N 2 1 318.436 2.838 20 30 DFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000369054400 429909411 /nfs/dbraw/zinc/90/94/11/429909411.db2.gz KNRYQFFQAMUNIT-IAGOWNOFSA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000369054400 429909413 /nfs/dbraw/zinc/90/94/13/429909413.db2.gz KNRYQFFQAMUNIT-IAGOWNOFSA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000369054400 429909415 /nfs/dbraw/zinc/90/94/15/429909415.db2.gz KNRYQFFQAMUNIT-IAGOWNOFSA-N 2 1 305.466 2.503 20 30 DFEDMP C=CCCCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000575988856 430101580 /nfs/dbraw/zinc/10/15/80/430101580.db2.gz JPXAOMBROWCUME-IBGZPJMESA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCCCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000575988856 430101588 /nfs/dbraw/zinc/10/15/88/430101588.db2.gz JPXAOMBROWCUME-IBGZPJMESA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCCCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000575988856 430101593 /nfs/dbraw/zinc/10/15/93/430101593.db2.gz JPXAOMBROWCUME-IBGZPJMESA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000575988856 430101596 /nfs/dbraw/zinc/10/15/96/430101596.db2.gz JPXAOMBROWCUME-IBGZPJMESA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641804824 430479028 /nfs/dbraw/zinc/47/90/28/430479028.db2.gz KFIOSCCCQQKWMP-LSDHHAIUSA-N 2 1 319.474 2.619 20 30 DFEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657875210 430759927 /nfs/dbraw/zinc/75/99/27/430759927.db2.gz BMQGFUHMOOTVDJ-WMZOPIPTSA-N 2 1 321.509 2.654 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603519 431192625 /nfs/dbraw/zinc/19/26/25/431192625.db2.gz RDBHAUDNTPUACO-RDJZCZTQSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@H](CO)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603519 431192629 /nfs/dbraw/zinc/19/26/29/431192629.db2.gz RDBHAUDNTPUACO-RDJZCZTQSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@H](CO)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603519 431192634 /nfs/dbraw/zinc/19/26/34/431192634.db2.gz RDBHAUDNTPUACO-RDJZCZTQSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@H](CO)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603519 431192639 /nfs/dbraw/zinc/19/26/39/431192639.db2.gz RDBHAUDNTPUACO-RDJZCZTQSA-N 2 1 308.491 2.747 20 30 DFEDMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528780030 300846828 /nfs/dbraw/zinc/84/68/28/300846828.db2.gz ALRJFGCOAXEUCF-UHFFFAOYSA-N 2 1 324.428 2.520 20 30 DFEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CCN1C ZINC000093644635 332140882 /nfs/dbraw/zinc/14/08/82/332140882.db2.gz UKIKBNNEZXXEMI-APWZRJJASA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644635 332140883 /nfs/dbraw/zinc/14/08/83/332140883.db2.gz UKIKBNNEZXXEMI-APWZRJJASA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644635 332140884 /nfs/dbraw/zinc/14/08/84/332140884.db2.gz UKIKBNNEZXXEMI-APWZRJJASA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC[NH+]1C ZINC000093644635 332140885 /nfs/dbraw/zinc/14/08/85/332140885.db2.gz UKIKBNNEZXXEMI-APWZRJJASA-N 2 1 314.477 2.951 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000491453523 333097821 /nfs/dbraw/zinc/09/78/21/333097821.db2.gz SBQRBJPDQNJOIA-HNNXBMFYSA-N 2 1 315.244 2.572 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000491453523 333097822 /nfs/dbraw/zinc/09/78/22/333097822.db2.gz SBQRBJPDQNJOIA-HNNXBMFYSA-N 2 1 315.244 2.572 20 30 DFEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181557690 333170192 /nfs/dbraw/zinc/17/01/92/333170192.db2.gz QIODEZZQAXPTDR-JKSUJKDBSA-N 2 1 301.434 2.971 20 30 DFEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C1 ZINC000273311532 334045173 /nfs/dbraw/zinc/04/51/73/334045173.db2.gz BZJRFBQDCCNXMR-HNNXBMFYSA-N 2 1 314.477 2.827 20 30 DFEDMP CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366848938 335198081 /nfs/dbraw/zinc/19/80/81/335198081.db2.gz GOMZUFFUQVDGDT-DLBZAZTESA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848938 335198082 /nfs/dbraw/zinc/19/80/82/335198082.db2.gz GOMZUFFUQVDGDT-DLBZAZTESA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848938 335198083 /nfs/dbraw/zinc/19/80/83/335198083.db2.gz GOMZUFFUQVDGDT-DLBZAZTESA-N 2 1 305.466 2.646 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000344657318 335269124 /nfs/dbraw/zinc/26/91/24/335269124.db2.gz AXUYLJXABADQEN-HOCLYGCPSA-N 2 1 304.434 2.832 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000344657318 335269126 /nfs/dbraw/zinc/26/91/26/335269126.db2.gz AXUYLJXABADQEN-HOCLYGCPSA-N 2 1 304.434 2.832 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(OC)c1O ZINC000352540143 336223425 /nfs/dbraw/zinc/22/34/25/336223425.db2.gz HOZXIQXOUMTALQ-MRXNPFEDSA-N 2 1 304.434 2.833 20 30 DFEDMP C=C(CC)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352885834 336330834 /nfs/dbraw/zinc/33/08/34/336330834.db2.gz DUZSVYFQLSPYIY-HXUWFJFHSA-N 2 1 313.489 2.845 20 30 DFEDMP C=CCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305092844 337013207 /nfs/dbraw/zinc/01/32/07/337013207.db2.gz QODDWJWLUIDSIG-ZIFCJYIRSA-N 2 1 324.509 2.525 20 30 DFEDMP C#CCOc1ccccc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376966348 337044414 /nfs/dbraw/zinc/04/44/14/337044414.db2.gz FWSWNBHCPRGOFX-MRXNPFEDSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccccc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376966348 337044415 /nfs/dbraw/zinc/04/44/15/337044415.db2.gz FWSWNBHCPRGOFX-MRXNPFEDSA-N 2 1 309.413 2.590 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000377650717 337057468 /nfs/dbraw/zinc/05/74/68/337057468.db2.gz NTNWHCTXHDRLSI-PWIZWCRZSA-N 2 1 312.457 2.647 20 30 DFEDMP N#CCC[C@H](C#N)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377767432 337060630 /nfs/dbraw/zinc/06/06/30/337060630.db2.gz MUFAOMDUDPHTSQ-AQNXPRMDSA-N 2 1 322.456 2.884 20 30 DFEDMP C=C(Cl)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175797454 337149260 /nfs/dbraw/zinc/14/92/60/337149260.db2.gz RVAIPUJPGKYABC-GASCZTMLSA-N 2 1 300.874 2.950 20 30 DFEDMP C=C(Cl)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175797454 337149261 /nfs/dbraw/zinc/14/92/61/337149261.db2.gz RVAIPUJPGKYABC-GASCZTMLSA-N 2 1 300.874 2.950 20 30 DFEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999800 338358050 /nfs/dbraw/zinc/35/80/50/338358050.db2.gz NBGOZBQEWWLSMW-VQTJNVASSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999800 338358051 /nfs/dbraw/zinc/35/80/51/338358051.db2.gz NBGOZBQEWWLSMW-VQTJNVASSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCCCCC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496950268 340016810 /nfs/dbraw/zinc/01/68/10/340016810.db2.gz PMIVPNAHVQSRCL-SFHVURJKSA-N 2 1 321.465 2.539 20 30 DFEDMP C=CCCCCC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496950268 340016811 /nfs/dbraw/zinc/01/68/11/340016811.db2.gz PMIVPNAHVQSRCL-SFHVURJKSA-N 2 1 321.465 2.539 20 30 DFEDMP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365984357 522778308 /nfs/dbraw/zinc/77/83/08/522778308.db2.gz ACOSRMUDAVMUCL-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365984357 522778346 /nfs/dbraw/zinc/77/83/46/522778346.db2.gz ACOSRMUDAVMUCL-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000191351945 523167683 /nfs/dbraw/zinc/16/76/83/523167683.db2.gz OPHOCJGQXOZTGE-SFHVURJKSA-N 2 1 322.456 2.851 20 30 DFEDMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000191351945 523167694 /nfs/dbraw/zinc/16/76/94/523167694.db2.gz OPHOCJGQXOZTGE-SFHVURJKSA-N 2 1 322.456 2.851 20 30 DFEDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000191351945 523167704 /nfs/dbraw/zinc/16/77/04/523167704.db2.gz OPHOCJGQXOZTGE-SFHVURJKSA-N 2 1 322.456 2.851 20 30 DFEDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000191351945 523167712 /nfs/dbraw/zinc/16/77/12/523167712.db2.gz OPHOCJGQXOZTGE-SFHVURJKSA-N 2 1 322.456 2.851 20 30 DFEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000052208996 398835672 /nfs/dbraw/zinc/83/56/72/398835672.db2.gz PSQPBXRCZYAKST-UHFFFAOYSA-N 2 1 321.509 2.631 20 30 DFEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000598621250 398842745 /nfs/dbraw/zinc/84/27/45/398842745.db2.gz SXCWTFUXCQCQGP-SFHVURJKSA-N 2 1 315.461 2.541 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599026110 398909850 /nfs/dbraw/zinc/90/98/50/398909850.db2.gz AETFLWKOFSIAOI-UHFFFAOYSA-N 2 1 308.466 2.738 20 30 DFEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000595889042 399124548 /nfs/dbraw/zinc/12/45/48/399124548.db2.gz RAQWSCHSAAJCIO-WHOFXGATSA-N 2 1 309.335 2.746 20 30 DFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000595889042 399124550 /nfs/dbraw/zinc/12/45/50/399124550.db2.gz RAQWSCHSAAJCIO-WHOFXGATSA-N 2 1 309.335 2.746 20 30 DFEDMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619620235 399369055 /nfs/dbraw/zinc/36/90/55/399369055.db2.gz JLDWFSKSMFSXJU-KRWDZBQOSA-N 2 1 316.449 2.929 20 30 DFEDMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619620235 399369057 /nfs/dbraw/zinc/36/90/57/399369057.db2.gz JLDWFSKSMFSXJU-KRWDZBQOSA-N 2 1 316.449 2.929 20 30 DFEDMP N#CC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000602502567 399461839 /nfs/dbraw/zinc/46/18/39/399461839.db2.gz LMIOCLNXUQUEIZ-UHFFFAOYSA-N 2 1 313.445 2.691 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000602512932 399464988 /nfs/dbraw/zinc/46/49/88/399464988.db2.gz YFHMJHCTNHMXPJ-INIZCTEOSA-N 2 1 307.482 2.939 20 30 DFEDMP C=CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193284882 335045266 /nfs/dbraw/zinc/04/52/66/335045266.db2.gz KBNRFDJORZUTOZ-MVCQKVDPSA-N 2 1 300.446 2.709 20 30 DFEDMP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193284867 335045315 /nfs/dbraw/zinc/04/53/15/335045315.db2.gz KBNRFDJORZUTOZ-QBUWPKIASA-N 2 1 300.446 2.709 20 30 DFEDMP N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611409707 399472140 /nfs/dbraw/zinc/47/21/40/399472140.db2.gz UIEGFCQBXNPBFV-MJGOQNOKSA-N 2 1 313.445 2.943 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602550110 399473335 /nfs/dbraw/zinc/47/33/35/399473335.db2.gz GLXFUGOUWPMFPE-OAHLLOKOSA-N 2 1 304.438 2.660 20 30 DFEDMP Cc1cc(N2CCC([NH2+]C[C@@H](C)CCC#N)CC2)nc(C)[nH+]1 ZINC000602587528 399484479 /nfs/dbraw/zinc/48/44/79/399484479.db2.gz JEGIRAREMXSWKL-ZDUSSCGKSA-N 2 1 301.438 2.592 20 30 DFEDMP CC(C)(C#N)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000612585303 399681692 /nfs/dbraw/zinc/68/16/92/399681692.db2.gz VURXOPZVMCLCFJ-UHFFFAOYSA-N 2 1 301.434 2.801 20 30 DFEDMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C#N)CC1 ZINC000612585521 399682055 /nfs/dbraw/zinc/68/20/55/399682055.db2.gz IPOBRWVCKOUPBT-UHFFFAOYSA-N 2 1 314.477 2.858 20 30 DFEDMP CC[NH+]1CCC([N@H+](CCOc2ccccc2C#N)C2CC2)CC1 ZINC000371258991 150010976 /nfs/dbraw/zinc/01/09/76/150010976.db2.gz FBDNSFRMFIOKQL-UHFFFAOYSA-N 2 1 313.445 2.886 20 30 DFEDMP CC[NH+]1CCC([N@@H+](CCOc2ccccc2C#N)C2CC2)CC1 ZINC000371258991 150010977 /nfs/dbraw/zinc/01/09/77/150010977.db2.gz FBDNSFRMFIOKQL-UHFFFAOYSA-N 2 1 313.445 2.886 20 30 DFEDMP C[N@@H+]1CCCC12CC[NH+](CCCOc1ccc(C#N)cc1)CC2 ZINC000374979238 150378586 /nfs/dbraw/zinc/37/85/86/150378586.db2.gz LLYNOPRKSZYOJC-UHFFFAOYSA-N 2 1 313.445 2.887 20 30 DFEDMP C[N@H+]1CCCC12CC[NH+](CCCOc1ccc(C#N)cc1)CC2 ZINC000374979238 150378590 /nfs/dbraw/zinc/37/85/90/150378590.db2.gz LLYNOPRKSZYOJC-UHFFFAOYSA-N 2 1 313.445 2.887 20 30 DFEDMP C=CCOc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668784960 543866923 /nfs/dbraw/zinc/86/69/23/543866923.db2.gz LFZNVKPFNMPWFD-IBGZPJMESA-N 2 1 318.461 2.794 20 30 DFEDMP C=CCOc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668784960 543866925 /nfs/dbraw/zinc/86/69/25/543866925.db2.gz LFZNVKPFNMPWFD-IBGZPJMESA-N 2 1 318.461 2.794 20 30 DFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174837931 426266734 /nfs/dbraw/zinc/26/67/34/426266734.db2.gz ULUWNASQFDZDKR-HDICACEKSA-N 2 1 320.525 2.807 20 30 DFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000174961157 426271625 /nfs/dbraw/zinc/27/16/25/426271625.db2.gz BZYGBBULAONZMZ-INIZCTEOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000174961157 426271628 /nfs/dbraw/zinc/27/16/28/426271628.db2.gz BZYGBBULAONZMZ-INIZCTEOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000174961157 426271630 /nfs/dbraw/zinc/27/16/30/426271630.db2.gz BZYGBBULAONZMZ-INIZCTEOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000174961157 426271632 /nfs/dbraw/zinc/27/16/32/426271632.db2.gz BZYGBBULAONZMZ-INIZCTEOSA-N 2 1 301.434 2.601 20 30 DFEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264134164 426502876 /nfs/dbraw/zinc/50/28/76/426502876.db2.gz ZBICOEXURJBGIX-OAHLLOKOSA-N 2 1 322.522 2.911 20 30 DFEDMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000289439980 426659248 /nfs/dbraw/zinc/65/92/48/426659248.db2.gz WLWRNYULSWLGEF-QGZVFWFLSA-N 2 1 322.412 2.673 20 30 DFEDMP CN(C)c1ncccc1O[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000289439980 426659249 /nfs/dbraw/zinc/65/92/49/426659249.db2.gz WLWRNYULSWLGEF-QGZVFWFLSA-N 2 1 322.412 2.673 20 30 DFEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]cc2C(=O)OCC)CC1 ZINC000280804136 426659647 /nfs/dbraw/zinc/65/96/47/426659647.db2.gz WEALASDFXDXHHZ-UHFFFAOYSA-N 2 1 303.406 2.711 20 30 DFEDMP C=CCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000265825936 426696315 /nfs/dbraw/zinc/69/63/15/426696315.db2.gz SVPCUDVPZGGFTG-LJQANCHMSA-N 2 1 302.462 2.940 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245422530 426738161 /nfs/dbraw/zinc/73/81/61/426738161.db2.gz IXGKTOMWOLHXGS-MAUKXSAKSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245422530 426738165 /nfs/dbraw/zinc/73/81/65/426738165.db2.gz IXGKTOMWOLHXGS-MAUKXSAKSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245422530 426738171 /nfs/dbraw/zinc/73/81/71/426738171.db2.gz IXGKTOMWOLHXGS-MAUKXSAKSA-N 2 1 301.434 2.599 20 30 DFEDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609881 426749197 /nfs/dbraw/zinc/74/91/97/426749197.db2.gz VUAYCYGEXDMDRW-QGZVFWFLSA-N 2 1 301.434 2.895 20 30 DFEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609881 426749201 /nfs/dbraw/zinc/74/92/01/426749201.db2.gz VUAYCYGEXDMDRW-QGZVFWFLSA-N 2 1 301.434 2.895 20 30 DFEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609881 426749204 /nfs/dbraw/zinc/74/92/04/426749204.db2.gz VUAYCYGEXDMDRW-QGZVFWFLSA-N 2 1 301.434 2.895 20 30 DFEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609881 426749207 /nfs/dbraw/zinc/74/92/07/426749207.db2.gz VUAYCYGEXDMDRW-QGZVFWFLSA-N 2 1 301.434 2.895 20 30 DFEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609881 426749209 /nfs/dbraw/zinc/74/92/09/426749209.db2.gz VUAYCYGEXDMDRW-QGZVFWFLSA-N 2 1 301.434 2.895 20 30 DFEDMP CCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267392664 426880430 /nfs/dbraw/zinc/88/04/30/426880430.db2.gz DGGIRRWHFCAKLZ-UHFFFAOYSA-N 2 1 314.433 2.726 20 30 DFEDMP CCCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267392664 426880436 /nfs/dbraw/zinc/88/04/36/426880436.db2.gz DGGIRRWHFCAKLZ-UHFFFAOYSA-N 2 1 314.433 2.726 20 30 DFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974103 /nfs/dbraw/zinc/97/41/03/426974103.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974109 /nfs/dbraw/zinc/97/41/09/426974109.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030943 426974116 /nfs/dbraw/zinc/97/41/16/426974116.db2.gz QIJPNKVLDVVOMH-IEBWSBKVSA-N 2 1 313.445 2.743 20 30 DFEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000329539468 427138593 /nfs/dbraw/zinc/13/85/93/427138593.db2.gz WALLWLADZKIODS-LSDHHAIUSA-N 2 1 304.438 2.585 20 30 DFEDMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000329539468 427138598 /nfs/dbraw/zinc/13/85/98/427138598.db2.gz WALLWLADZKIODS-LSDHHAIUSA-N 2 1 304.438 2.585 20 30 DFEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000329539468 427138604 /nfs/dbraw/zinc/13/86/04/427138604.db2.gz WALLWLADZKIODS-LSDHHAIUSA-N 2 1 304.438 2.585 20 30 DFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1ccccc1Cl ZINC000262603188 427364223 /nfs/dbraw/zinc/36/42/23/427364223.db2.gz ZIFDRFOXQMDEGS-UHFFFAOYSA-N 2 1 319.840 2.552 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278869329 427481726 /nfs/dbraw/zinc/48/17/26/427481726.db2.gz LXKDUZQIPJSSSG-KRWDZBQOSA-N 2 1 303.450 2.726 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264107508 427658317 /nfs/dbraw/zinc/65/83/17/427658317.db2.gz ODMUPPAXZUDXGK-YOEHRIQHSA-N 2 1 318.465 2.535 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264110332 427661213 /nfs/dbraw/zinc/66/12/13/427661213.db2.gz OPJXVTKMMYIFBK-MRXNPFEDSA-N 2 1 318.465 2.537 20 30 DFEDMP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000279501686 427688121 /nfs/dbraw/zinc/68/81/21/427688121.db2.gz WCZFSIAEGGSQEV-UHFFFAOYSA-N 2 1 323.444 2.809 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304599981 427938887 /nfs/dbraw/zinc/93/88/87/427938887.db2.gz GWFBXZPNIPXLLM-UKRRQHHQSA-N 2 1 308.495 2.835 20 30 DFEDMP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000350454819 427939068 /nfs/dbraw/zinc/93/90/68/427939068.db2.gz FYVSJSRKXRVINZ-AEFFLSMTSA-N 2 1 312.461 2.610 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346848871 428344499 /nfs/dbraw/zinc/34/44/99/428344499.db2.gz OODQDXDCXRIROC-BBWFWOEESA-N 2 1 316.445 2.689 20 30 DFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000353530252 428582150 /nfs/dbraw/zinc/58/21/50/428582150.db2.gz LMQHZYRGKSNLME-YJBOKZPZSA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000353530252 428582156 /nfs/dbraw/zinc/58/21/56/428582156.db2.gz LMQHZYRGKSNLME-YJBOKZPZSA-N 2 1 312.461 2.599 20 30 DFEDMP C=CCOCCC[N@H+](C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000348108548 428637213 /nfs/dbraw/zinc/63/72/13/428637213.db2.gz TVCVJBDHXYXSOO-ZWKOTPCHSA-N 2 1 303.450 2.599 20 30 DFEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362232477 428669498 /nfs/dbraw/zinc/66/94/98/428669498.db2.gz BWUDUNJRTOERBS-ZKXLYKBJSA-N 2 1 305.466 2.548 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354083097 428853976 /nfs/dbraw/zinc/85/39/76/428853976.db2.gz NDXSLPUYIJSXOO-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354083097 428853981 /nfs/dbraw/zinc/85/39/81/428853981.db2.gz NDXSLPUYIJSXOO-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422973560 429052887 /nfs/dbraw/zinc/05/28/87/429052887.db2.gz CCFROXCEIYLJLW-CQSZACIVSA-N 2 1 302.466 2.540 20 30 DFEDMP C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1c[nH+]ccc1N ZINC000422985073 429054271 /nfs/dbraw/zinc/05/42/71/429054271.db2.gz BYOMALWTMHESGI-CYBMUJFWSA-N 2 1 312.442 2.950 20 30 DFEDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000488167051 429176970 /nfs/dbraw/zinc/17/69/70/429176970.db2.gz JMJXXIPFZKKHNB-IPMKNSEASA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000488167051 429176975 /nfs/dbraw/zinc/17/69/75/429176975.db2.gz JMJXXIPFZKKHNB-IPMKNSEASA-N 2 1 313.445 2.550 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000491165138 429330057 /nfs/dbraw/zinc/33/00/57/429330057.db2.gz IVJYEIJLORHFCL-IEBWSBKVSA-N 2 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000491165138 429330062 /nfs/dbraw/zinc/33/00/62/429330062.db2.gz IVJYEIJLORHFCL-IEBWSBKVSA-N 2 1 305.510 2.574 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449521231 429442134 /nfs/dbraw/zinc/44/21/34/429442134.db2.gz RHAGNIFIMOHLGZ-MOPGFXCFSA-N 2 1 318.436 2.766 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000491803030 429412432 /nfs/dbraw/zinc/41/24/32/429412432.db2.gz HZUYBHXHQYPFCG-HKUYNNGSSA-N 3 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000491803030 429412436 /nfs/dbraw/zinc/41/24/36/429412436.db2.gz HZUYBHXHQYPFCG-HKUYNNGSSA-N 3 1 305.510 2.574 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449694546 429481393 /nfs/dbraw/zinc/48/13/93/429481393.db2.gz BYYXLBMBDFEJKA-QXAKKESOSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449700250 429482918 /nfs/dbraw/zinc/48/29/18/429482918.db2.gz SQHXYLNUVUYBPN-YTQUADARSA-N 2 1 302.462 2.956 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449700250 429482922 /nfs/dbraw/zinc/48/29/22/429482922.db2.gz SQHXYLNUVUYBPN-YTQUADARSA-N 2 1 302.462 2.956 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449700248 429483083 /nfs/dbraw/zinc/48/30/83/429483083.db2.gz SQHXYLNUVUYBPN-NZSAHSFTSA-N 2 1 302.462 2.956 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449700248 429483088 /nfs/dbraw/zinc/48/30/88/429483088.db2.gz SQHXYLNUVUYBPN-NZSAHSFTSA-N 2 1 302.462 2.956 20 30 DFEDMP CC[NH+]1CCC([N@H+](CCOc2ccc(C#N)cc2)C2CC2)CC1 ZINC000367108827 429581132 /nfs/dbraw/zinc/58/11/32/429581132.db2.gz GNOVQSZYXZFUKX-UHFFFAOYSA-N 2 1 313.445 2.886 20 30 DFEDMP CC[NH+]1CCC([N@@H+](CCOc2ccc(C#N)cc2)C2CC2)CC1 ZINC000367108827 429581138 /nfs/dbraw/zinc/58/11/38/429581138.db2.gz GNOVQSZYXZFUKX-UHFFFAOYSA-N 2 1 313.445 2.886 20 30 DFEDMP C=CCc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314474 430103905 /nfs/dbraw/zinc/10/39/05/430103905.db2.gz UXZNGTVIYYLTHM-YOEHRIQHSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314474 430103910 /nfs/dbraw/zinc/10/39/10/430103910.db2.gz UXZNGTVIYYLTHM-YOEHRIQHSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314474 430103914 /nfs/dbraw/zinc/10/39/14/430103914.db2.gz UXZNGTVIYYLTHM-YOEHRIQHSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314474 430103917 /nfs/dbraw/zinc/10/39/17/430103917.db2.gz UXZNGTVIYYLTHM-YOEHRIQHSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1O ZINC000576314472 430104804 /nfs/dbraw/zinc/10/48/04/430104804.db2.gz UXZNGTVIYYLTHM-RHSMWYFYSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1O ZINC000576314472 430104808 /nfs/dbraw/zinc/10/48/08/430104808.db2.gz UXZNGTVIYYLTHM-RHSMWYFYSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1O ZINC000576314472 430104809 /nfs/dbraw/zinc/10/48/09/430104809.db2.gz UXZNGTVIYYLTHM-RHSMWYFYSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1O ZINC000576314472 430104812 /nfs/dbraw/zinc/10/48/12/430104812.db2.gz UXZNGTVIYYLTHM-RHSMWYFYSA-N 2 1 318.461 2.901 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649402318 431090518 /nfs/dbraw/zinc/09/05/18/431090518.db2.gz QTJBDBWSRFHJLF-IBGZPJMESA-N 2 1 314.473 2.912 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000577121399 318172838 /nfs/dbraw/zinc/17/28/38/318172838.db2.gz CXYVHTLKOVBSDP-WMZOPIPTSA-N 2 1 300.450 2.943 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccccn1 ZINC000178571841 333140912 /nfs/dbraw/zinc/14/09/12/333140912.db2.gz DDZKUCOLDVGBNQ-INIZCTEOSA-N 2 1 315.465 2.853 20 30 DFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000185760002 333213630 /nfs/dbraw/zinc/21/36/30/333213630.db2.gz WMICFEHWTXWTBB-VQIMIIECSA-N 2 1 313.445 2.691 20 30 DFEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277231722 334087387 /nfs/dbraw/zinc/08/73/87/334087387.db2.gz GSTSPQVKVIXRAD-INIZCTEOSA-N 2 1 318.465 2.531 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288775588 334162209 /nfs/dbraw/zinc/16/22/09/334162209.db2.gz VNHTVWIOFAQRRY-GFCCVEGCSA-N 2 1 310.392 2.956 20 30 DFEDMP C=CCOCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000348171909 335560047 /nfs/dbraw/zinc/56/00/47/335560047.db2.gz WCLVUOBVRUKGBP-UHFFFAOYSA-N 2 1 303.450 2.992 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(OC)c1O ZINC000352540142 336223386 /nfs/dbraw/zinc/22/33/86/336223386.db2.gz HOZXIQXOUMTALQ-INIZCTEOSA-N 2 1 304.434 2.833 20 30 DFEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC2CCCCC2)[NH+]2CCCC2)o1 ZINC000104191332 336383834 /nfs/dbraw/zinc/38/38/34/336383834.db2.gz DOKSJIBRTDBQRV-MRXNPFEDSA-N 2 1 318.465 2.962 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000104172533 336383892 /nfs/dbraw/zinc/38/38/92/336383892.db2.gz YNBXOAKRXORJOE-LLVKDONJSA-N 2 1 322.840 2.560 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000377643406 337057340 /nfs/dbraw/zinc/05/73/40/337057340.db2.gz DMHYWRZDTAFZCR-DLBZAZTESA-N 2 1 316.445 2.846 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000377643406 337057341 /nfs/dbraw/zinc/05/73/41/337057341.db2.gz DMHYWRZDTAFZCR-DLBZAZTESA-N 2 1 316.445 2.846 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858942 337062670 /nfs/dbraw/zinc/06/26/70/337062670.db2.gz DIAGSXDKQVFXPW-WBVHZDCISA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858942 337062671 /nfs/dbraw/zinc/06/26/71/337062671.db2.gz DIAGSXDKQVFXPW-WBVHZDCISA-N 2 1 324.428 2.868 20 30 DFEDMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)[NH+]1CCCC1 ZINC000378451214 337073086 /nfs/dbraw/zinc/07/30/86/337073086.db2.gz DLMRHLCMIHBWGD-QQXKLLMISA-N 2 1 319.493 2.936 20 30 DFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429682692 338087356 /nfs/dbraw/zinc/08/73/56/338087356.db2.gz OBYVQLRZBXIMAE-OGWHTMIXSA-N 2 1 319.493 2.890 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000435436679 338240032 /nfs/dbraw/zinc/24/00/32/338240032.db2.gz GYLNJGCAZUMFAF-INIZCTEOSA-N 2 1 304.434 2.703 20 30 DFEDMP C[C@@H]1C[NH+](CC2CC[NH+](CC3(C#N)CCC3)CC2)C[C@@H](C)O1 ZINC000450342356 338678954 /nfs/dbraw/zinc/67/89/54/338678954.db2.gz RYHKGXXMJQYMPS-HZPDHXFCSA-N 2 1 305.466 2.501 20 30 DFEDMP C=CC[C@H](CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000516660655 398358617 /nfs/dbraw/zinc/35/86/17/398358617.db2.gz ATUMCIYTMXUVCI-KRWDZBQOSA-N 2 1 321.509 2.654 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000066243137 398364238 /nfs/dbraw/zinc/36/42/38/398364238.db2.gz DFGIUYIKWXNLBW-CQSZACIVSA-N 2 1 300.450 2.628 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000579946954 398384483 /nfs/dbraw/zinc/38/44/83/398384483.db2.gz JBABNILVRWCFIW-OAQYLSRUSA-N 2 1 324.468 2.983 20 30 DFEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC1(C#N)CCCCC1)CCO2 ZINC000592185239 398398889 /nfs/dbraw/zinc/39/88/89/398398889.db2.gz VXNNGZQCSXZTPO-UHFFFAOYSA-N 2 1 305.466 2.647 20 30 DFEDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433629 398425589 /nfs/dbraw/zinc/42/55/89/398425589.db2.gz MQKXXHCIRAUAFF-MSOLQXFVSA-N 2 1 313.445 2.778 20 30 DFEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010599 530059621 /nfs/dbraw/zinc/05/96/21/530059621.db2.gz PQOWKLLRRFYXDA-LJQANCHMSA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010599 530059622 /nfs/dbraw/zinc/05/96/22/530059622.db2.gz PQOWKLLRRFYXDA-LJQANCHMSA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010599 530059623 /nfs/dbraw/zinc/05/96/23/530059623.db2.gz PQOWKLLRRFYXDA-LJQANCHMSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C(F)(F)F)c1 ZINC000589311522 398544726 /nfs/dbraw/zinc/54/47/26/398544726.db2.gz HPRYWWQTTUGUJR-ZDUSSCGKSA-N 2 1 320.318 2.878 20 30 DFEDMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(CC#N)C2)CC1 ZINC000597193978 398586580 /nfs/dbraw/zinc/58/65/80/398586580.db2.gz LTCCIQFTGDLNPJ-UHFFFAOYSA-N 2 1 312.461 2.564 20 30 DFEDMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604848 398638254 /nfs/dbraw/zinc/63/82/54/398638254.db2.gz QERBNTGENVGILA-CRAIPNDOSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604848 398638259 /nfs/dbraw/zinc/63/82/59/398638259.db2.gz QERBNTGENVGILA-CRAIPNDOSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604848 398638263 /nfs/dbraw/zinc/63/82/63/398638263.db2.gz QERBNTGENVGILA-CRAIPNDOSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604848 398638266 /nfs/dbraw/zinc/63/82/66/398638266.db2.gz QERBNTGENVGILA-CRAIPNDOSA-N 2 1 303.450 2.642 20 30 DFEDMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1C#N ZINC000174261373 198311771 /nfs/dbraw/zinc/31/17/71/198311771.db2.gz MEVAZXJXHXMXBJ-UHFFFAOYSA-N 2 1 301.434 2.777 20 30 DFEDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496019 398809473 /nfs/dbraw/zinc/80/94/73/398809473.db2.gz XGDFFKSFNHGAFO-UHFFFAOYSA-N 2 1 303.450 2.546 20 30 DFEDMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1C#N ZINC000276694712 213050788 /nfs/dbraw/zinc/05/07/88/213050788.db2.gz LMNSFUXEHBVHEZ-UHFFFAOYSA-N 2 1 301.434 2.778 20 30 DFEDMP COc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)ccc1C#N ZINC000281564740 216386340 /nfs/dbraw/zinc/38/63/40/216386340.db2.gz CGTCYCJBHMKNMC-UHFFFAOYSA-N 2 1 301.434 2.778 20 30 DFEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275500318 212375334 /nfs/dbraw/zinc/37/53/34/212375334.db2.gz JNISMWSNYCLBIE-KRWDZBQOSA-N 2 1 309.413 2.637 20 30 DFEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C#N ZINC000600707592 399120871 /nfs/dbraw/zinc/12/08/71/399120871.db2.gz BWSJDUYSHBZEOJ-QRVBRYPASA-N 2 1 313.445 2.728 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000608861112 399298818 /nfs/dbraw/zinc/29/88/18/399298818.db2.gz UHGPMBVNBAJXLK-INIZCTEOSA-N 2 1 310.401 2.670 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000602512935 399465141 /nfs/dbraw/zinc/46/51/41/399465141.db2.gz YFHMJHCTNHMXPJ-MRXNPFEDSA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602588741 399484636 /nfs/dbraw/zinc/48/46/36/399484636.db2.gz PTINTOIHXOMAIO-AEFFLSMTSA-N 2 1 320.440 2.953 20 30 DFEDMP C[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602588741 399484638 /nfs/dbraw/zinc/48/46/38/399484638.db2.gz PTINTOIHXOMAIO-AEFFLSMTSA-N 2 1 320.440 2.953 20 30 DFEDMP N#CC1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000602594023 399486740 /nfs/dbraw/zinc/48/67/40/399486740.db2.gz OPUZLODCDZQDED-UHFFFAOYSA-N 2 1 305.466 2.693 20 30 DFEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000156480603 197116802 /nfs/dbraw/zinc/11/68/02/197116802.db2.gz ODICQUWUNIEKPI-RBUKOAKNSA-N 2 1 313.445 2.542 20 30 DFEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000156480603 197116803 /nfs/dbraw/zinc/11/68/03/197116803.db2.gz ODICQUWUNIEKPI-RBUKOAKNSA-N 2 1 313.445 2.542 20 30 DFEDMP C=CC[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CC=C)C3)COC2)C1 ZINC000625700884 399617444 /nfs/dbraw/zinc/61/74/44/399617444.db2.gz FOCYYDNARGTPBM-QZTJIDSGSA-N 2 1 304.478 2.799 20 30 DFEDMP C[NH+]1CCC2(CCC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000374163639 150315277 /nfs/dbraw/zinc/31/52/77/150315277.db2.gz POZGZVUTJHGSJS-UHFFFAOYSA-N 2 1 313.445 2.745 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248281501 158166881 /nfs/dbraw/zinc/16/68/81/158166881.db2.gz VHTFNOGSKFBJER-LPHOPBHVSA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248281501 158166887 /nfs/dbraw/zinc/16/68/87/158166887.db2.gz VHTFNOGSKFBJER-LPHOPBHVSA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248281501 158166889 /nfs/dbraw/zinc/16/68/89/158166889.db2.gz VHTFNOGSKFBJER-LPHOPBHVSA-N 2 1 315.461 2.989 20 30 DFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021104 /nfs/dbraw/zinc/02/11/04/196021104.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021107 /nfs/dbraw/zinc/02/11/07/196021107.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114235 196021109 /nfs/dbraw/zinc/02/11/09/196021109.db2.gz PREPRRHQQQCTPF-HKUYNNGSSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+](C)CCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459301633 270002035 /nfs/dbraw/zinc/00/20/35/270002035.db2.gz KVVKMEPQBLMFAP-UHFFFAOYSA-N 2 1 316.405 2.630 20 30 DFEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000421356990 267334424 /nfs/dbraw/zinc/33/44/24/267334424.db2.gz MOWBSTPZVXNQRB-KRWDZBQOSA-N 2 1 301.409 2.861 20 30 DFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000157920332 425941050 /nfs/dbraw/zinc/94/10/50/425941050.db2.gz XBGIIDDZEYUVDX-IYBDPMFKSA-N 2 1 307.482 2.747 20 30 DFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398189 426235326 /nfs/dbraw/zinc/23/53/26/426235326.db2.gz WWDSQCGAPPNMQB-CVEARBPZSA-N 2 1 315.461 2.644 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000177702371 426508461 /nfs/dbraw/zinc/50/84/61/426508461.db2.gz PODKJDYKWGICNK-RHSMWYFYSA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000177702371 426508464 /nfs/dbraw/zinc/50/84/64/426508464.db2.gz PODKJDYKWGICNK-RHSMWYFYSA-N 2 1 321.490 2.846 20 30 DFEDMP C=CCc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc(OC)c1O ZINC000272646199 426571452 /nfs/dbraw/zinc/57/14/52/426571452.db2.gz OYRYEVHQMILTDH-DOTOQJQBSA-N 2 1 316.445 2.655 20 30 DFEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290126688 426698056 /nfs/dbraw/zinc/69/80/56/426698056.db2.gz JSIVMAMDUROPMJ-MRXNPFEDSA-N 2 1 314.477 2.845 20 30 DFEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290126688 426698059 /nfs/dbraw/zinc/69/80/59/426698059.db2.gz JSIVMAMDUROPMJ-MRXNPFEDSA-N 2 1 314.477 2.845 20 30 DFEDMP C=CC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248878474 427055805 /nfs/dbraw/zinc/05/58/05/427055805.db2.gz KBNRFDJORZUTOZ-OKYOBFRVSA-N 2 1 300.446 2.709 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000248934021 427065638 /nfs/dbraw/zinc/06/56/38/427065638.db2.gz YDLRNJNJAJRCKV-MLHJIOFPSA-N 2 1 307.482 2.795 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C2 ZINC000329449831 427117724 /nfs/dbraw/zinc/11/77/24/427117724.db2.gz DKXAVBWBEROOEN-HOCLYGCPSA-N 2 1 318.465 2.831 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121126807 271021887 /nfs/dbraw/zinc/02/18/87/271021887.db2.gz SHYTUOMGWPAOAT-INIZCTEOSA-N 2 1 301.434 2.731 20 30 DFEDMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000285687674 427309933 /nfs/dbraw/zinc/30/99/33/427309933.db2.gz OFECSPPOKUKJIP-UHFFFAOYSA-N 2 1 312.461 2.601 20 30 DFEDMP C=CCC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278869333 427482000 /nfs/dbraw/zinc/48/20/00/427482000.db2.gz LXKDUZQIPJSSSG-QGZVFWFLSA-N 2 1 303.450 2.726 20 30 DFEDMP CN(CC[N@@H+](C)CCCCC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000336865439 427765931 /nfs/dbraw/zinc/76/59/31/427765931.db2.gz UELCUPMHSRWJQK-UHFFFAOYSA-N 2 1 308.514 2.664 20 30 DFEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000336864357 427766210 /nfs/dbraw/zinc/76/62/10/427766210.db2.gz RGFHVMPUBJIVRJ-INIZCTEOSA-N 2 1 309.498 2.731 20 30 DFEDMP C=CCOCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339200864 427727667 /nfs/dbraw/zinc/72/76/67/427727667.db2.gz JMMBGWOZYZKZCI-MOPGFXCFSA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200864 427727672 /nfs/dbraw/zinc/72/76/72/427727672.db2.gz JMMBGWOZYZKZCI-MOPGFXCFSA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200864 427727676 /nfs/dbraw/zinc/72/76/76/427727676.db2.gz JMMBGWOZYZKZCI-MOPGFXCFSA-N 2 1 300.446 2.643 20 30 DFEDMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1Cl ZINC000369614672 428016656 /nfs/dbraw/zinc/01/66/56/428016656.db2.gz GXJSWSKXZJXVAZ-CFVMTHIKSA-N 2 1 319.836 2.725 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)nc(C)[nH+]1 ZINC000377557102 428159167 /nfs/dbraw/zinc/15/91/67/428159167.db2.gz RAIRJEWIIZLTKT-SFHVURJKSA-N 2 1 321.428 2.724 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346850789 428344699 /nfs/dbraw/zinc/34/46/99/428344699.db2.gz IBNQAINRRZGESZ-ULQDDVLXSA-N 2 1 316.445 2.819 20 30 DFEDMP C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000373073581 428513471 /nfs/dbraw/zinc/51/34/71/428513471.db2.gz FDRALYJINVWIQB-ZWKOTPCHSA-N 2 1 320.525 2.664 20 30 DFEDMP C=CCOCCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000348048044 428636283 /nfs/dbraw/zinc/63/62/83/428636283.db2.gz MTMSKCZXOLZOTJ-UHFFFAOYSA-N 2 1 303.450 2.823 20 30 DFEDMP C=CCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358866450 428710359 /nfs/dbraw/zinc/71/03/59/428710359.db2.gz SVLKXGXKKQMUAE-IRXDYDNUSA-N 2 1 310.482 2.543 20 30 DFEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](C#N)CCC#N)CC2)C1CC1 ZINC000362618021 428794992 /nfs/dbraw/zinc/79/49/92/428794992.db2.gz WFICKJOMXUCOFZ-CVEARBPZSA-N 2 1 300.450 2.626 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221942 428923549 /nfs/dbraw/zinc/92/35/49/428923549.db2.gz IBVBNNRKFKPPSL-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221942 428923554 /nfs/dbraw/zinc/92/35/54/428923554.db2.gz IBVBNNRKFKPPSL-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221942 428923559 /nfs/dbraw/zinc/92/35/59/428923559.db2.gz IBVBNNRKFKPPSL-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221942 428923562 /nfs/dbraw/zinc/92/35/62/428923562.db2.gz IBVBNNRKFKPPSL-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616835 428955103 /nfs/dbraw/zinc/95/51/03/428955103.db2.gz SRXGMVKFBMAYCZ-PKOBYXMFSA-N 2 1 312.461 2.753 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(OC)c1O ZINC000422558567 429051122 /nfs/dbraw/zinc/05/11/22/429051122.db2.gz BFFZLKVIBUIWFX-CPUCHLNUSA-N 2 1 318.461 2.935 20 30 DFEDMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1C#N ZINC000423129617 429054374 /nfs/dbraw/zinc/05/43/74/429054374.db2.gz XHAJMBSFDGFBJY-KBXCAEBGSA-N 2 1 309.413 2.615 20 30 DFEDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000488167047 429177426 /nfs/dbraw/zinc/17/74/26/429177426.db2.gz JMJXXIPFZKKHNB-GBESFXJTSA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000488167047 429177428 /nfs/dbraw/zinc/17/74/28/429177428.db2.gz JMJXXIPFZKKHNB-GBESFXJTSA-N 2 1 313.445 2.550 20 30 DFEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000365436424 429318577 /nfs/dbraw/zinc/31/85/77/429318577.db2.gz ZNJQLRUCHFJYJH-SFHVURJKSA-N 2 1 320.525 2.808 20 30 DFEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000365436424 429318579 /nfs/dbraw/zinc/31/85/79/429318579.db2.gz ZNJQLRUCHFJYJH-SFHVURJKSA-N 2 1 320.525 2.808 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588706 429304327 /nfs/dbraw/zinc/30/43/27/429304327.db2.gz VZOJMHZVUVTKCL-LWYYNNOASA-N 2 1 314.473 2.956 20 30 DFEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000368492187 429856931 /nfs/dbraw/zinc/85/69/31/429856931.db2.gz AJFAVDXORLHFFC-WKULXVSPSA-N 2 1 305.466 2.548 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000368492187 429856935 /nfs/dbraw/zinc/85/69/35/429856935.db2.gz AJFAVDXORLHFFC-WKULXVSPSA-N 2 1 305.466 2.548 20 30 DFEDMP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000528375086 429881094 /nfs/dbraw/zinc/88/10/94/429881094.db2.gz ZAYHTFJQPAWUGE-ROUUACIJSA-N 2 1 319.493 2.629 20 30 DFEDMP C[C@@H]1CN(CC#CC[N@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000573528210 429960306 /nfs/dbraw/zinc/96/03/06/429960306.db2.gz XPXBJMXBNVFOHL-ZIAGYGMSSA-N 2 1 320.374 2.944 20 30 DFEDMP C[C@@H]1CN(CC#CCN2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000573528210 429960310 /nfs/dbraw/zinc/96/03/10/429960310.db2.gz XPXBJMXBNVFOHL-ZIAGYGMSSA-N 2 1 320.374 2.944 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000575861575 430099606 /nfs/dbraw/zinc/09/96/06/430099606.db2.gz BIQUMSFAGMZYDA-GOSISDBHSA-N 2 1 322.880 2.874 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180719 430275529 /nfs/dbraw/zinc/27/55/29/430275529.db2.gz MTRNGDOQELLQJG-MOPGFXCFSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180719 430275533 /nfs/dbraw/zinc/27/55/33/430275533.db2.gz MTRNGDOQELLQJG-MOPGFXCFSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750261 430726184 /nfs/dbraw/zinc/72/61/84/430726184.db2.gz FTBUYLXGKFOORA-SFHVURJKSA-N 2 1 316.445 2.594 20 30 DFEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648773398 430887045 /nfs/dbraw/zinc/88/70/45/430887045.db2.gz HNYMCYFOIMOLPF-HNNXBMFYSA-N 2 1 318.465 2.553 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647200010 431507250 /nfs/dbraw/zinc/50/72/50/431507250.db2.gz CLKXUBQKFJJWLS-GOSISDBHSA-N 2 1 300.446 2.976 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647200010 431507258 /nfs/dbraw/zinc/50/72/58/431507258.db2.gz CLKXUBQKFJJWLS-GOSISDBHSA-N 2 1 300.446 2.976 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708977 431657118 /nfs/dbraw/zinc/65/71/18/431657118.db2.gz XNGRHHFTRWYQOP-LPHOPBHVSA-N 2 1 316.445 2.821 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154264434 295295790 /nfs/dbraw/zinc/29/57/90/295295790.db2.gz KTQMKBALFFWPEV-INIZCTEOSA-N 2 1 301.434 2.731 20 30 DFEDMP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000104180762 332244602 /nfs/dbraw/zinc/24/46/02/332244602.db2.gz JQYAZPNNKHZREE-CQSZACIVSA-N 2 1 308.495 2.520 20 30 DFEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000170909991 333042359 /nfs/dbraw/zinc/04/23/59/333042359.db2.gz KXNQUPWYROYIDX-QGZVFWFLSA-N 2 1 323.444 2.863 20 30 DFEDMP CN(C[C@H](C#N)CCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400339 333085962 /nfs/dbraw/zinc/08/59/62/333085962.db2.gz DBWMMEVVYXPWSM-OALUTQOASA-N 2 1 310.445 2.884 20 30 DFEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1)N(C)C ZINC000364205602 333272257 /nfs/dbraw/zinc/27/22/57/333272257.db2.gz HJSZKPNAQDAPCT-ZBFHGGJFSA-N 2 1 322.884 2.812 20 30 DFEDMP C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1O ZINC000295060911 335131615 /nfs/dbraw/zinc/13/16/15/335131615.db2.gz QGLUZEVQFPULET-ALOPSCKCSA-N 2 1 316.445 2.844 20 30 DFEDMP C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1O ZINC000295060911 335131616 /nfs/dbraw/zinc/13/16/16/335131616.db2.gz QGLUZEVQFPULET-ALOPSCKCSA-N 2 1 316.445 2.844 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272695307 334039199 /nfs/dbraw/zinc/03/91/99/334039199.db2.gz XQGRCVRHSXRXSL-IEBWSBKVSA-N 2 1 312.461 2.562 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272695307 334039200 /nfs/dbraw/zinc/03/92/00/334039200.db2.gz XQGRCVRHSXRXSL-IEBWSBKVSA-N 2 1 312.461 2.562 20 30 DFEDMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OCCCC#N ZINC000291801710 334181989 /nfs/dbraw/zinc/18/19/89/334181989.db2.gz XHRGEJQZFRDWJY-OAHLLOKOSA-N 2 1 319.449 2.665 20 30 DFEDMP C[C@@H]1C[C@H]([N@@H+](C)CCOCCC#N)CCN1Cc1ccccc1 ZINC000292703234 334191248 /nfs/dbraw/zinc/19/12/48/334191248.db2.gz DKTWWFHBGQUPHM-IEBWSBKVSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@@H]1C[C@H]([NH+](C)CCOCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000292703234 334191249 /nfs/dbraw/zinc/19/12/49/334191249.db2.gz DKTWWFHBGQUPHM-IEBWSBKVSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@@H]1C[C@H]([NH+](C)CCOCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000292703234 334191250 /nfs/dbraw/zinc/19/12/50/334191250.db2.gz DKTWWFHBGQUPHM-IEBWSBKVSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@@H]1C[C@H]([N@H+](C)CCOCCC#N)CC[NH+]1Cc1ccccc1 ZINC000292703234 334191251 /nfs/dbraw/zinc/19/12/51/334191251.db2.gz DKTWWFHBGQUPHM-IEBWSBKVSA-N 2 1 315.461 2.902 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000294724755 334212828 /nfs/dbraw/zinc/21/28/28/334212828.db2.gz CVGQVSQYCQFROL-JLYLLQBASA-N 2 1 312.461 2.751 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000343083538 334598319 /nfs/dbraw/zinc/59/83/19/334598319.db2.gz MFVMVPUAZSYRPD-UHFFFAOYSA-N 2 1 315.461 2.938 20 30 DFEDMP CN1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366848940 335198126 /nfs/dbraw/zinc/19/81/26/335198126.db2.gz GOMZUFFUQVDGDT-IAGOWNOFSA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848940 335198127 /nfs/dbraw/zinc/19/81/27/335198127.db2.gz GOMZUFFUQVDGDT-IAGOWNOFSA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848940 335198128 /nfs/dbraw/zinc/19/81/28/335198128.db2.gz GOMZUFFUQVDGDT-IAGOWNOFSA-N 2 1 305.466 2.646 20 30 DFEDMP COc1ccc([C@H](CCC#N)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000582220957 336022891 /nfs/dbraw/zinc/02/28/91/336022891.db2.gz RJVBKEDJYMAFCP-QAPCUYQASA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000582220957 336022892 /nfs/dbraw/zinc/02/28/92/336022892.db2.gz RJVBKEDJYMAFCP-QAPCUYQASA-N 2 1 301.434 2.971 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352422129 336217660 /nfs/dbraw/zinc/21/76/60/336217660.db2.gz HCTQNPUWESKTBR-UFYCRDLUSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422129 336217661 /nfs/dbraw/zinc/21/76/61/336217661.db2.gz HCTQNPUWESKTBR-UFYCRDLUSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422129 336217662 /nfs/dbraw/zinc/21/76/62/336217662.db2.gz HCTQNPUWESKTBR-UFYCRDLUSA-N 2 1 314.473 2.767 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354327594 336467043 /nfs/dbraw/zinc/46/70/43/336467043.db2.gz HNGXYVVXXSPQKO-BFYDXBDKSA-N 2 1 308.466 2.594 20 30 DFEDMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)[NH+]1CCCC1 ZINC000373224182 336953572 /nfs/dbraw/zinc/95/35/72/336953572.db2.gz PYDRIGKUIVKJSC-ILOCAZANSA-N 2 1 305.466 2.690 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000376115559 337027358 /nfs/dbraw/zinc/02/73/58/337027358.db2.gz OTDQUPCZADLGPG-GDBMZVCRSA-N 2 1 310.401 2.526 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000377650711 337057567 /nfs/dbraw/zinc/05/75/67/337057567.db2.gz NTNWHCTXHDRLSI-FFZOFVMBSA-N 2 1 312.457 2.647 20 30 DFEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156765 337190179 /nfs/dbraw/zinc/19/01/79/337190179.db2.gz BXGHTMSNVQBCNK-KGLIPLIRSA-N 2 1 312.417 2.522 20 30 DFEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000436314098 338268646 /nfs/dbraw/zinc/26/86/46/338268646.db2.gz XRGHFAAMBLWWCH-YRXWBPOGSA-N 2 1 324.509 2.694 20 30 DFEDMP C=CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999799 338357989 /nfs/dbraw/zinc/35/79/89/338357989.db2.gz NBGOZBQEWWLSMW-UXHICEINSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999799 338357990 /nfs/dbraw/zinc/35/79/90/338357990.db2.gz NBGOZBQEWWLSMW-UXHICEINSA-N 2 1 314.473 2.958 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482168215 339625314 /nfs/dbraw/zinc/62/53/14/339625314.db2.gz XORFGKKSEHJSTF-MSOLQXFVSA-N 2 1 323.525 2.901 20 30 DFEDMP C[N@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365996397 522781425 /nfs/dbraw/zinc/78/14/25/522781425.db2.gz BVGIHHJUGKXDQY-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365996397 522781431 /nfs/dbraw/zinc/78/14/31/522781431.db2.gz BVGIHHJUGKXDQY-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000365159218 527217791 /nfs/dbraw/zinc/21/77/91/527217791.db2.gz YGTGVMKXYQMLQE-PBHICJAKSA-N 2 1 314.458 2.741 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591906700 398349277 /nfs/dbraw/zinc/34/92/77/398349277.db2.gz REHVONVJUXXMQI-DOTOQJQBSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906700 398349280 /nfs/dbraw/zinc/34/92/80/398349280.db2.gz REHVONVJUXXMQI-DOTOQJQBSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906700 398349282 /nfs/dbraw/zinc/34/92/82/398349282.db2.gz REHVONVJUXXMQI-DOTOQJQBSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591906702 398349654 /nfs/dbraw/zinc/34/96/54/398349654.db2.gz REHVONVJUXXMQI-RDJZCZTQSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906702 398349660 /nfs/dbraw/zinc/34/96/60/398349660.db2.gz REHVONVJUXXMQI-RDJZCZTQSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906702 398349661 /nfs/dbraw/zinc/34/96/61/398349661.db2.gz REHVONVJUXXMQI-RDJZCZTQSA-N 2 1 318.465 2.642 20 30 DFEDMP CC(C)(C#N)CCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578632465 398374771 /nfs/dbraw/zinc/37/47/71/398374771.db2.gz XUVKUFPUDCEREU-UHFFFAOYSA-N 2 1 307.482 2.533 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000581170941 398388510 /nfs/dbraw/zinc/38/85/10/398388510.db2.gz BYYNWJYOIRLWJT-MAUKXSAKSA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000581170941 398388516 /nfs/dbraw/zinc/38/85/16/398388516.db2.gz BYYNWJYOIRLWJT-MAUKXSAKSA-N 2 1 301.434 2.971 20 30 DFEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181493343 199305931 /nfs/dbraw/zinc/30/59/31/199305931.db2.gz NMGDKZNWOLFGHB-KRWDZBQOSA-N 2 1 314.477 2.627 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181775011 199350806 /nfs/dbraw/zinc/35/08/06/199350806.db2.gz JAZITIKUSUIVOL-NVXWUHKLSA-N 2 1 313.445 2.710 20 30 DFEDMP N#Cc1ccc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000590570255 398632739 /nfs/dbraw/zinc/63/27/39/398632739.db2.gz XZPOBUHZTDTDKN-UHFFFAOYSA-N 2 1 317.396 2.757 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC000593957501 398707840 /nfs/dbraw/zinc/70/78/40/398707840.db2.gz BJGOCZLKWSHYGS-MRXNPFEDSA-N 2 1 307.401 2.591 20 30 DFEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305818979 299289231 /nfs/dbraw/zinc/28/92/31/299289231.db2.gz NSVKPZRQHAXOPL-HOCLYGCPSA-N 2 1 319.424 2.585 20 30 DFEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000077965794 398931258 /nfs/dbraw/zinc/93/12/58/398931258.db2.gz NYYDOOSTGGHBEG-ZBFHGGJFSA-N 2 1 320.868 2.813 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000599355269 398959846 /nfs/dbraw/zinc/95/98/46/398959846.db2.gz XKIAOCUICISVND-RDTXWAMCSA-N 2 1 324.428 2.886 20 30 DFEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)c1 ZINC000595889041 399124269 /nfs/dbraw/zinc/12/42/69/399124269.db2.gz RAQWSCHSAAJCIO-NJZAAPMLSA-N 2 1 309.335 2.746 20 30 DFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)c1 ZINC000595889041 399124273 /nfs/dbraw/zinc/12/42/73/399124273.db2.gz RAQWSCHSAAJCIO-NJZAAPMLSA-N 2 1 309.335 2.746 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)o1 ZINC000600769538 399141064 /nfs/dbraw/zinc/14/10/64/399141064.db2.gz NYCCKBJYXZTMPF-KDOFPFPSSA-N 2 1 313.376 2.773 20 30 DFEDMP N#Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)c(CO)c1 ZINC000600780036 399143593 /nfs/dbraw/zinc/14/35/93/399143593.db2.gz HRUVNDVCMCQCEP-LJQANCHMSA-N 2 1 321.424 2.641 20 30 DFEDMP N#Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)c(CO)c1 ZINC000600780036 399143596 /nfs/dbraw/zinc/14/35/96/399143596.db2.gz HRUVNDVCMCQCEP-LJQANCHMSA-N 2 1 321.424 2.641 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596058858 399157439 /nfs/dbraw/zinc/15/74/39/399157439.db2.gz KLJAZBWDPJZJOO-MRXNPFEDSA-N 2 1 301.409 2.909 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596058858 399157441 /nfs/dbraw/zinc/15/74/41/399157441.db2.gz KLJAZBWDPJZJOO-MRXNPFEDSA-N 2 1 301.409 2.909 20 30 DFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000265199308 204449506 /nfs/dbraw/zinc/44/95/06/204449506.db2.gz AKTPARIBJYXMNE-CVEARBPZSA-N 2 1 309.498 2.532 20 30 DFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000614403871 399227153 /nfs/dbraw/zinc/22/71/53/399227153.db2.gz ULZJJHSYXBGOOL-GUDVDZBRSA-N 2 1 313.445 2.550 20 30 DFEDMP N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000609144327 399306145 /nfs/dbraw/zinc/30/61/45/399306145.db2.gz MTIWPLNBWSBLFP-KDURUIRLSA-N 2 1 303.409 2.876 20 30 DFEDMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000105876711 194154672 /nfs/dbraw/zinc/15/46/72/194154672.db2.gz AUXJXJGIYXKVQQ-UHFFFAOYSA-N 2 1 324.428 2.625 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)[nH+]1 ZINC000602456930 399449776 /nfs/dbraw/zinc/44/97/76/399449776.db2.gz CROJLQLVVYSJNE-HNNXBMFYSA-N 2 1 307.401 2.591 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)c1 ZINC000602459190 399450478 /nfs/dbraw/zinc/45/04/78/399450478.db2.gz QRDIMWOEJGJVBF-HNNXBMFYSA-N 2 1 307.401 2.591 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000602504401 399462424 /nfs/dbraw/zinc/46/24/24/399462424.db2.gz QOWQRSXXSWRNEY-JKSUJKDBSA-N 2 1 320.506 2.566 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000602504400 399462700 /nfs/dbraw/zinc/46/27/00/399462700.db2.gz QOWQRSXXSWRNEY-HZPDHXFCSA-N 2 1 320.506 2.566 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H](C)C1 ZINC000602545732 399472205 /nfs/dbraw/zinc/47/22/05/399472205.db2.gz OJWMQFSWLXWBTC-CPFNUKBASA-N 2 1 307.482 2.795 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+]C3CCC(C#N)CC3)C2)nc(C)[nH+]1 ZINC000602542727 399471713 /nfs/dbraw/zinc/47/17/13/399471713.db2.gz WKWMFVPMWJRUBO-JCYILVPMSA-N 2 1 313.449 2.734 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438561 399477034 /nfs/dbraw/zinc/47/70/34/399477034.db2.gz AIDJJTWBCNVSAU-BEFAXECRSA-N 2 1 313.445 2.852 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602597949 399487299 /nfs/dbraw/zinc/48/72/99/399487299.db2.gz VHRVHLRHIXPXAH-APWZRJJASA-N 2 1 315.461 2.673 20 30 DFEDMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000602846411 399599902 /nfs/dbraw/zinc/59/99/02/399599902.db2.gz PSBUDFWHSDTVLN-UHFFFAOYSA-N 2 1 322.412 2.674 20 30 DFEDMP C=CC[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616657 /nfs/dbraw/zinc/61/66/57/399616657.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 2 1 304.478 2.799 20 30 DFEDMP C=CC[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616662 /nfs/dbraw/zinc/61/66/62/399616662.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 2 1 304.478 2.799 20 30 DFEDMP C=CC[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700882 399616667 /nfs/dbraw/zinc/61/66/67/399616667.db2.gz FOCYYDNARGTPBM-HDICACEKSA-N 2 1 304.478 2.799 20 30 DFEDMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000124993797 195701267 /nfs/dbraw/zinc/70/12/67/195701267.db2.gz SIELFSDEGONEPG-OAHLLOKOSA-N 2 1 301.434 2.778 20 30 DFEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358086706 148238201 /nfs/dbraw/zinc/23/82/01/148238201.db2.gz OJKZECGMRJIBGS-RHSMWYFYSA-N 2 1 303.475 2.721 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361828089 149230615 /nfs/dbraw/zinc/23/06/15/149230615.db2.gz DEVJPGBGNWDIHD-MRXNPFEDSA-N 2 1 301.409 2.861 20 30 DFEDMP Cn1ccnc1[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000373107775 150232589 /nfs/dbraw/zinc/23/25/89/150232589.db2.gz WQVGSAAWTJLQTE-INIZCTEOSA-N 2 1 310.401 2.550 20 30 DFEDMP C#Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000290211707 335069996 /nfs/dbraw/zinc/06/99/96/335069996.db2.gz DXUBWURZGNDXQC-UHFFFAOYSA-N 2 1 320.440 2.833 20 30 DFEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050275 544589322 /nfs/dbraw/zinc/58/93/22/544589322.db2.gz WVVKWTNRQQBLDN-ZCNNSNEGSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050275 544589326 /nfs/dbraw/zinc/58/93/26/544589326.db2.gz WVVKWTNRQQBLDN-ZCNNSNEGSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678050275 544589331 /nfs/dbraw/zinc/58/93/31/544589331.db2.gz WVVKWTNRQQBLDN-ZCNNSNEGSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678050275 544589336 /nfs/dbraw/zinc/58/93/36/544589336.db2.gz WVVKWTNRQQBLDN-ZCNNSNEGSA-N 2 1 314.473 2.910 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000344387470 266116007 /nfs/dbraw/zinc/11/60/07/266116007.db2.gz AGZRQDJCMYILAQ-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)CC[N@H+]1C ZINC000177821148 267091467 /nfs/dbraw/zinc/09/14/67/267091467.db2.gz LWGRTLRNTMSFRE-RHSMWYFYSA-N 2 1 303.475 2.864 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000106245490 425972085 /nfs/dbraw/zinc/97/20/85/425972085.db2.gz IWLLXWZBMDETEZ-UHFFFAOYSA-N 2 1 311.433 2.602 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000132508452 426170544 /nfs/dbraw/zinc/17/05/44/426170544.db2.gz XENQGRIOJQJMQK-RTBURBONSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000132508452 426170547 /nfs/dbraw/zinc/17/05/47/426170547.db2.gz XENQGRIOJQJMQK-RTBURBONSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000132508452 426170551 /nfs/dbraw/zinc/17/05/51/426170551.db2.gz XENQGRIOJQJMQK-RTBURBONSA-N 2 1 302.462 2.767 20 30 DFEDMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000178292584 426599530 /nfs/dbraw/zinc/59/95/30/426599530.db2.gz DUTWOZBDVYPPQT-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000178292584 426599533 /nfs/dbraw/zinc/59/95/33/426599533.db2.gz DUTWOZBDVYPPQT-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000178292584 426599535 /nfs/dbraw/zinc/59/95/35/426599535.db2.gz DUTWOZBDVYPPQT-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000178316591 426604711 /nfs/dbraw/zinc/60/47/11/426604711.db2.gz PLDFOGCFILFFGO-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000178316591 426604717 /nfs/dbraw/zinc/60/47/17/426604717.db2.gz PLDFOGCFILFFGO-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP C=CCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000265825935 426696885 /nfs/dbraw/zinc/69/68/85/426696885.db2.gz SVPCUDVPZGGFTG-IBGZPJMESA-N 2 1 302.462 2.940 20 30 DFEDMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000310075511 426917730 /nfs/dbraw/zinc/91/77/30/426917730.db2.gz GGCBLNYTZUPFRD-FQEVSTJZSA-N 2 1 322.456 2.899 20 30 DFEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000268092214 426910718 /nfs/dbraw/zinc/91/07/18/426910718.db2.gz UIBOTTTVUQVYMF-MRXNPFEDSA-N 2 1 302.466 2.954 20 30 DFEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000329453729 427117937 /nfs/dbraw/zinc/11/79/37/427117937.db2.gz NRNWXBRCKLWEFH-CABCVRRESA-N 2 1 318.465 2.913 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)C2 ZINC000329520212 427131501 /nfs/dbraw/zinc/13/15/01/427131501.db2.gz OIFALHPSMYUMRP-DZKIICNBSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000329520212 427131506 /nfs/dbraw/zinc/13/15/06/427131506.db2.gz OIFALHPSMYUMRP-DZKIICNBSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190784458 427178891 /nfs/dbraw/zinc/17/88/91/427178891.db2.gz ILRIKIWVNQZKBY-UHFFFAOYSA-N 2 1 322.456 2.959 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000285690182 427311313 /nfs/dbraw/zinc/31/13/13/427311313.db2.gz OJQNDYKADIIJKZ-WOJBJXKFSA-N 2 1 324.472 2.743 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000285690182 427311317 /nfs/dbraw/zinc/31/13/17/427311317.db2.gz OJQNDYKADIIJKZ-WOJBJXKFSA-N 2 1 324.472 2.743 20 30 DFEDMP CN(C)C(=[NH+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000262349686 427357132 /nfs/dbraw/zinc/35/71/32/427357132.db2.gz YRMSJKRRXQMRDY-SFHVURJKSA-N 2 1 316.493 2.768 20 30 DFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1cccs1 ZINC000262513795 427360974 /nfs/dbraw/zinc/36/09/74/427360974.db2.gz FIRHPWKVODDJIN-TZMCWYRMSA-N 2 1 308.495 2.834 20 30 DFEDMP C[NH+]=C(NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccco1 ZINC000264054634 427645595 /nfs/dbraw/zinc/64/55/95/427645595.db2.gz NTFALWBGGKKXPE-IYBDPMFKSA-N 2 1 320.481 2.703 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264099047 427655524 /nfs/dbraw/zinc/65/55/24/427655524.db2.gz NPYBFYWJGGJDQG-NSHDSACASA-N 2 1 303.385 2.523 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264114753 427660461 /nfs/dbraw/zinc/66/04/61/427660461.db2.gz SBEWWCKSOPRCFH-UONOGXRCSA-N 2 1 308.495 2.663 20 30 DFEDMP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000350454824 427939224 /nfs/dbraw/zinc/93/92/24/427939224.db2.gz FYVSJSRKXRVINZ-WMZOPIPTSA-N 2 1 312.461 2.610 20 30 DFEDMP C=CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccco1 ZINC000356099104 428020644 /nfs/dbraw/zinc/02/06/44/428020644.db2.gz WOMKYVDMNUPLPX-KRWDZBQOSA-N 2 1 305.466 2.904 20 30 DFEDMP C=CC[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000341884624 428240391 /nfs/dbraw/zinc/24/03/91/428240391.db2.gz VZOJMHZVUVTKCL-UMQXSMKFSA-N 2 1 314.473 2.956 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347203840 428491253 /nfs/dbraw/zinc/49/12/53/428491253.db2.gz KWDHZORNOHNDBN-HOCLYGCPSA-N 2 1 304.434 2.819 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000363167002 428874590 /nfs/dbraw/zinc/87/45/90/428874590.db2.gz BOULIUIHRXLMNZ-BRWVUGGUSA-N 2 1 307.482 2.795 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000354223588 428926138 /nfs/dbraw/zinc/92/61/38/428926138.db2.gz LSCBMDNQBXSRRP-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000354223588 428926141 /nfs/dbraw/zinc/92/61/41/428926141.db2.gz LSCBMDNQBXSRRP-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363616834 428955049 /nfs/dbraw/zinc/95/50/49/428955049.db2.gz SRXGMVKFBMAYCZ-MJGOQNOKSA-N 2 1 312.461 2.753 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000491070515 429321611 /nfs/dbraw/zinc/32/16/11/429321611.db2.gz CTHBFZBEGHSHNA-CVEARBPZSA-N 2 1 318.461 2.741 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000491070515 429321613 /nfs/dbraw/zinc/32/16/13/429321613.db2.gz CTHBFZBEGHSHNA-CVEARBPZSA-N 2 1 318.461 2.741 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042711 429563270 /nfs/dbraw/zinc/56/32/70/429563270.db2.gz JNUGJXDAXIQBFP-DYKAAJRGSA-N 2 1 319.493 2.795 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000368415705 429845626 /nfs/dbraw/zinc/84/56/26/429845626.db2.gz DCDRRUBTOXTANW-IXDOHACOSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528384848 429883056 /nfs/dbraw/zinc/88/30/56/429883056.db2.gz XSDOEWNSSZPBIC-SQNIBIBYSA-N 2 1 319.493 2.628 20 30 DFEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)oc1C ZINC000562523435 430141440 /nfs/dbraw/zinc/14/14/40/430141440.db2.gz YJQIFSKKBUREDJ-IAGOWNOFSA-N 2 1 316.449 2.785 20 30 DFEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768286 430467373 /nfs/dbraw/zinc/46/73/73/430467373.db2.gz ZCUOYOWDAIYGRA-RBUKOAKNSA-N 2 1 312.457 2.548 20 30 DFEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768286 430467376 /nfs/dbraw/zinc/46/73/76/430467376.db2.gz ZCUOYOWDAIYGRA-RBUKOAKNSA-N 2 1 312.457 2.548 20 30 DFEDMP C=CCCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556249073 430682277 /nfs/dbraw/zinc/68/22/77/430682277.db2.gz ISSXPBPOUYJTEV-HDICACEKSA-N 2 1 324.509 2.933 20 30 DFEDMP C=CCCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556249073 430682280 /nfs/dbraw/zinc/68/22/80/430682280.db2.gz ISSXPBPOUYJTEV-HDICACEKSA-N 2 1 324.509 2.933 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000645007556 430888777 /nfs/dbraw/zinc/88/87/77/430888777.db2.gz XSCXFMANCMHSIB-LJQANCHMSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCCn1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000653613937 431458957 /nfs/dbraw/zinc/45/89/57/431458957.db2.gz GZQKDJSDHXSDBO-CVEARBPZSA-N 2 1 317.481 2.597 20 30 DFEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000103338109 332237512 /nfs/dbraw/zinc/23/75/12/332237512.db2.gz RWZCDOQDVKOLQE-KRWDZBQOSA-N 2 1 314.433 2.556 20 30 DFEDMP C[N@@H+](CCCC#N)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862836 332255083 /nfs/dbraw/zinc/25/50/83/332255083.db2.gz JOYKAPLKYUJDNN-LJQANCHMSA-N 2 1 315.461 2.668 20 30 DFEDMP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294685745 335125355 /nfs/dbraw/zinc/12/53/55/335125355.db2.gz AFSJHTJQGLXBSJ-ALOPSCKCSA-N 2 1 316.445 2.975 20 30 DFEDMP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294685745 335125356 /nfs/dbraw/zinc/12/53/56/335125356.db2.gz AFSJHTJQGLXBSJ-ALOPSCKCSA-N 2 1 316.445 2.975 20 30 DFEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1)N(C)C ZINC000364205601 333272276 /nfs/dbraw/zinc/27/22/76/333272276.db2.gz HJSZKPNAQDAPCT-HOCLYGCPSA-N 2 1 322.884 2.812 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000295087164 335132060 /nfs/dbraw/zinc/13/20/60/335132060.db2.gz UMHDOMOZTVPJGQ-ZDUSSCGKSA-N 2 1 304.463 2.549 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000295087164 335132062 /nfs/dbraw/zinc/13/20/62/335132062.db2.gz UMHDOMOZTVPJGQ-ZDUSSCGKSA-N 2 1 304.463 2.549 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273379700 334046066 /nfs/dbraw/zinc/04/60/66/334046066.db2.gz XDUYMHXAPUKJTI-OAHLLOKOSA-N 2 1 314.477 2.970 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414762279 334087384 /nfs/dbraw/zinc/08/73/84/334087384.db2.gz AFKSUABUJQKYPK-CALCHBBNSA-N 2 1 316.445 2.691 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1O ZINC000415139337 334285037 /nfs/dbraw/zinc/28/50/37/334285037.db2.gz ZLPAYMHSKDXJLA-XJKSGUPXSA-N 2 1 304.434 2.546 20 30 DFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)C(C)C ZINC000341619401 334462675 /nfs/dbraw/zinc/46/26/75/334462675.db2.gz PVOXHZPIQSRWBT-KRWDZBQOSA-N 2 1 306.498 2.941 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000104172530 336383866 /nfs/dbraw/zinc/38/38/66/336383866.db2.gz YNBXOAKRXORJOE-NSHDSACASA-N 2 1 322.840 2.560 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000376160804 337028635 /nfs/dbraw/zinc/02/86/35/337028635.db2.gz FADRFWBYJZJIRV-HCXYKTFWSA-N 2 1 317.477 2.856 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(C)CC)nc2)CC1 ZINC000190977768 337291862 /nfs/dbraw/zinc/29/18/62/337291862.db2.gz HDOMMXPSIJSGHA-UHFFFAOYSA-N 2 1 302.466 2.668 20 30 DFEDMP C=CC[NH+](CC=C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000192657112 337306092 /nfs/dbraw/zinc/30/60/92/337306092.db2.gz OTIASSZCOHJDNB-IPQPSQTFSA-N 2 1 305.510 2.900 20 30 DFEDMP C=CCN(CC=C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000192657112 337306093 /nfs/dbraw/zinc/30/60/93/337306093.db2.gz OTIASSZCOHJDNB-IPQPSQTFSA-N 2 1 305.510 2.900 20 30 DFEDMP C=CCN(CC=C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000192657112 337306094 /nfs/dbraw/zinc/30/60/94/337306094.db2.gz OTIASSZCOHJDNB-IPQPSQTFSA-N 2 1 305.510 2.900 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496908661 340015889 /nfs/dbraw/zinc/01/58/89/340015889.db2.gz FQIYPSFRITVZPP-UHFFFAOYSA-N 2 1 323.481 2.531 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000066243141 398364350 /nfs/dbraw/zinc/36/43/50/398364350.db2.gz KMTQNTQVKBPFMH-OAHLLOKOSA-N 2 1 300.450 2.509 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000581066376 398387725 /nfs/dbraw/zinc/38/77/25/398387725.db2.gz LNBPXYHITKKWHG-QFBILLFUSA-N 2 1 302.462 2.781 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000236864406 202041432 /nfs/dbraw/zinc/04/14/32/202041432.db2.gz RJAYHGKNCQFYPV-LPHOPBHVSA-N 2 1 315.461 2.785 20 30 DFEDMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612411 398841419 /nfs/dbraw/zinc/84/14/19/398841419.db2.gz OZCUCSPCBYDGDX-UXLLHSPISA-N 2 1 307.482 2.530 20 30 DFEDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000598917929 398892720 /nfs/dbraw/zinc/89/27/20/398892720.db2.gz LHLRXMIPCJPBCW-UHFFFAOYSA-N 2 1 308.307 2.643 20 30 DFEDMP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000595297560 398919068 /nfs/dbraw/zinc/91/90/68/398919068.db2.gz WHUQPHJEBOVYRI-LJQANCHMSA-N 2 1 317.477 2.717 20 30 DFEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000595297560 398919070 /nfs/dbraw/zinc/91/90/70/398919070.db2.gz WHUQPHJEBOVYRI-LJQANCHMSA-N 2 1 317.477 2.717 20 30 DFEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000595297560 398919071 /nfs/dbraw/zinc/91/90/71/398919071.db2.gz WHUQPHJEBOVYRI-LJQANCHMSA-N 2 1 317.477 2.717 20 30 DFEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000595297560 398919072 /nfs/dbraw/zinc/91/90/72/398919072.db2.gz WHUQPHJEBOVYRI-LJQANCHMSA-N 2 1 317.477 2.717 20 30 DFEDMP C=CC[NH+](C)Cc1cccc(C(=O)OC)c1C[N@H+](C)CC=C ZINC000595446446 398940675 /nfs/dbraw/zinc/94/06/75/398940675.db2.gz LGMMMSCASZNTRB-UHFFFAOYSA-N 2 1 302.418 2.709 20 30 DFEDMP C=CC[NH+](C)Cc1cccc(C(=O)OC)c1C[N@@H+](C)CC=C ZINC000595446446 398940677 /nfs/dbraw/zinc/94/06/77/398940677.db2.gz LGMMMSCASZNTRB-UHFFFAOYSA-N 2 1 302.418 2.709 20 30 DFEDMP C=CC[NH+](C)Cc1c(C[N@H+](C)CC=C)cccc1C(=O)OC ZINC000595446446 398940679 /nfs/dbraw/zinc/94/06/79/398940679.db2.gz LGMMMSCASZNTRB-UHFFFAOYSA-N 2 1 302.418 2.709 20 30 DFEDMP C=CC[NH+](C)Cc1c(C[N@@H+](C)CC=C)cccc1C(=O)OC ZINC000595446446 398940682 /nfs/dbraw/zinc/94/06/82/398940682.db2.gz LGMMMSCASZNTRB-UHFFFAOYSA-N 2 1 302.418 2.709 20 30 DFEDMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000105876681 194154144 /nfs/dbraw/zinc/15/41/44/194154144.db2.gz CCMJVSKXGAGBLM-UHFFFAOYSA-N 2 1 324.428 2.625 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602510369 399464274 /nfs/dbraw/zinc/46/42/74/399464274.db2.gz MRVYTKPUPWXDDW-HUUCEWRRSA-N 2 1 304.438 2.516 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602550109 399473074 /nfs/dbraw/zinc/47/30/74/399473074.db2.gz GLXFUGOUWPMFPE-HNNXBMFYSA-N 2 1 304.438 2.660 20 30 DFEDMP CC[NH+]1CCC([N@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000120035002 195084392 /nfs/dbraw/zinc/08/43/92/195084392.db2.gz GVFMYCHHYWCPFA-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP CC[NH+]1CCC([N@@H+](C)CCCOc2cccc(C#N)c2)CC1 ZINC000120035002 195084394 /nfs/dbraw/zinc/08/43/94/195084394.db2.gz GVFMYCHHYWCPFA-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP N#Cc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157528729 197194574 /nfs/dbraw/zinc/19/45/74/197194574.db2.gz OSCZHULYKVKMDU-SFHVURJKSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157528729 197194576 /nfs/dbraw/zinc/19/45/76/197194576.db2.gz OSCZHULYKVKMDU-SFHVURJKSA-N 2 1 313.445 2.887 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908814 399623430 /nfs/dbraw/zinc/62/34/30/399623430.db2.gz UJZWEUIEGSZXEP-UHFFFAOYSA-N 2 1 309.417 2.728 20 30 DFEDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000121801830 195350357 /nfs/dbraw/zinc/35/03/57/195350357.db2.gz RQQDAVCFAJIBQJ-UHFFFAOYSA-N 2 1 300.431 2.808 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129596113 196060499 /nfs/dbraw/zinc/06/04/99/196060499.db2.gz FOTIQTGZYKZSIS-PBHICJAKSA-N 2 1 310.401 2.846 20 30 DFEDMP COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129596113 196060500 /nfs/dbraw/zinc/06/05/00/196060500.db2.gz FOTIQTGZYKZSIS-PBHICJAKSA-N 2 1 310.401 2.846 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129596361 196060663 /nfs/dbraw/zinc/06/06/63/196060663.db2.gz FOTIQTGZYKZSIS-YOEHRIQHSA-N 2 1 310.401 2.846 20 30 DFEDMP COc1cc(C#N)ccc1CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129596361 196060664 /nfs/dbraw/zinc/06/06/64/196060664.db2.gz FOTIQTGZYKZSIS-YOEHRIQHSA-N 2 1 310.401 2.846 20 30 DFEDMP C[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000072726267 426019460 /nfs/dbraw/zinc/01/94/60/426019460.db2.gz HXTYSGGVZZYXAZ-UHFFFAOYSA-N 2 1 323.444 2.648 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136868890 426246871 /nfs/dbraw/zinc/24/68/71/426246871.db2.gz JJJFDXHQQPEFLV-RDJZCZTQSA-N 2 1 302.466 2.554 20 30 DFEDMP C[C@H]1C[C@H](CNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000136869616 426247030 /nfs/dbraw/zinc/24/70/30/426247030.db2.gz AFPCFRGTUBVQSV-GOEBONIOSA-N 2 1 302.466 2.600 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000153003797 426366217 /nfs/dbraw/zinc/36/62/17/426366217.db2.gz LNHDPWZSHNUICP-UHFFFAOYSA-N 2 1 314.477 2.681 20 30 DFEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264134162 426502647 /nfs/dbraw/zinc/50/26/47/426502647.db2.gz ZBICOEXURJBGIX-HNNXBMFYSA-N 2 1 322.522 2.911 20 30 DFEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000195164760 426505419 /nfs/dbraw/zinc/50/54/19/426505419.db2.gz MJFMPQHGGTZIOJ-QGZVFWFLSA-N 2 1 308.429 2.935 20 30 DFEDMP N#CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266608256 426749789 /nfs/dbraw/zinc/74/97/89/426749789.db2.gz UYAHPLJQNCGDPX-SFHVURJKSA-N 2 1 313.445 2.897 20 30 DFEDMP N#CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266608256 426749792 /nfs/dbraw/zinc/74/97/92/426749792.db2.gz UYAHPLJQNCGDPX-SFHVURJKSA-N 2 1 313.445 2.897 20 30 DFEDMP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000189575358 426892561 /nfs/dbraw/zinc/89/25/61/426892561.db2.gz DTTNUFLXRALSCD-UHFFFAOYSA-N 2 1 308.429 2.651 20 30 DFEDMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2cncc2C1 ZINC000328913778 427011893 /nfs/dbraw/zinc/01/18/93/427011893.db2.gz IKXJMWUZQRWQKO-IAGOWNOFSA-N 2 1 324.428 2.677 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248819704 427047059 /nfs/dbraw/zinc/04/70/59/427047059.db2.gz FGZSYCLMNQKBPN-ICSRJNTNSA-N 2 1 314.473 2.765 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248819704 427047064 /nfs/dbraw/zinc/04/70/64/427047064.db2.gz FGZSYCLMNQKBPN-ICSRJNTNSA-N 2 1 314.473 2.765 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249413164 427113526 /nfs/dbraw/zinc/11/35/26/427113526.db2.gz YMWPYEWUHAMWEM-JKSUJKDBSA-N 2 1 315.461 2.644 20 30 DFEDMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000190484638 427121494 /nfs/dbraw/zinc/12/14/94/427121494.db2.gz KUBVBUZXTVFGTG-FQEVSTJZSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000190484638 427121500 /nfs/dbraw/zinc/12/15/00/427121500.db2.gz KUBVBUZXTVFGTG-FQEVSTJZSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000190484638 427121510 /nfs/dbraw/zinc/12/15/10/427121510.db2.gz KUBVBUZXTVFGTG-FQEVSTJZSA-N 2 1 320.440 2.907 20 30 DFEDMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1C#N ZINC000190905811 427201451 /nfs/dbraw/zinc/20/14/51/427201451.db2.gz ZANJVRZDUGGQRB-UHFFFAOYSA-N 2 1 300.450 2.641 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O)c(OCC)c2)CC1 ZINC000298359658 427582611 /nfs/dbraw/zinc/58/26/11/427582611.db2.gz KBXVBXLESVJXNH-UHFFFAOYSA-N 2 1 304.434 2.921 20 30 DFEDMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)nc(C)[nH+]1 ZINC000377557101 428158503 /nfs/dbraw/zinc/15/85/03/428158503.db2.gz RAIRJEWIIZLTKT-GOSISDBHSA-N 2 1 321.428 2.724 20 30 DFEDMP C=CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360244667 428219836 /nfs/dbraw/zinc/21/98/36/428219836.db2.gz DYTJHXHEXSKBFS-RTBURBONSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CCC[C@@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360244667 428219840 /nfs/dbraw/zinc/21/98/40/428219840.db2.gz DYTJHXHEXSKBFS-RTBURBONSA-N 2 1 302.462 2.958 20 30 DFEDMP CC1CC[NH+](CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000360943188 428500393 /nfs/dbraw/zinc/50/03/93/428500393.db2.gz ZZFZTDKLNXNCJS-GOSISDBHSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000353530250 428580792 /nfs/dbraw/zinc/58/07/92/428580792.db2.gz LMQHZYRGKSNLME-MAUKXSAKSA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000353530250 428580797 /nfs/dbraw/zinc/58/07/97/428580797.db2.gz LMQHZYRGKSNLME-MAUKXSAKSA-N 2 1 312.461 2.599 20 30 DFEDMP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000361462990 428570613 /nfs/dbraw/zinc/57/06/13/428570613.db2.gz DJKAYICKDLGJCN-OALUTQOASA-N 2 1 313.445 2.691 20 30 DFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000361462994 428570940 /nfs/dbraw/zinc/57/09/40/428570940.db2.gz DJKAYICKDLGJCN-RTBURBONSA-N 2 1 313.445 2.691 20 30 DFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000362033273 428610777 /nfs/dbraw/zinc/61/07/77/428610777.db2.gz TVLYIRKKWOSGOP-SPOLIRPYSA-N 2 1 319.493 2.936 20 30 DFEDMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000362033273 428610783 /nfs/dbraw/zinc/61/07/83/428610783.db2.gz TVLYIRKKWOSGOP-SPOLIRPYSA-N 2 1 319.493 2.936 20 30 DFEDMP C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000344116819 428624448 /nfs/dbraw/zinc/62/44/48/428624448.db2.gz NWXVYKWZFRJQPA-LJQANCHMSA-N 2 1 315.461 2.881 20 30 DFEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000344116819 428624454 /nfs/dbraw/zinc/62/44/54/428624454.db2.gz NWXVYKWZFRJQPA-LJQANCHMSA-N 2 1 315.461 2.881 20 30 DFEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000344116819 428624457 /nfs/dbraw/zinc/62/44/57/428624457.db2.gz NWXVYKWZFRJQPA-LJQANCHMSA-N 2 1 315.461 2.881 20 30 DFEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000344116819 428624461 /nfs/dbraw/zinc/62/44/61/428624461.db2.gz NWXVYKWZFRJQPA-LJQANCHMSA-N 2 1 315.461 2.881 20 30 DFEDMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670892 428649851 /nfs/dbraw/zinc/64/98/51/428649851.db2.gz WARIDSRYCLLGHK-HNAYVOBHSA-N 2 1 313.445 2.636 20 30 DFEDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670892 428649856 /nfs/dbraw/zinc/64/98/56/428649856.db2.gz WARIDSRYCLLGHK-HNAYVOBHSA-N 2 1 313.445 2.636 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1C ZINC000420303882 428954353 /nfs/dbraw/zinc/95/43/53/428954353.db2.gz XOJSDJFTLUJFJP-AWEZNQCLSA-N 2 1 303.450 2.533 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000453371760 429148797 /nfs/dbraw/zinc/14/87/97/429148797.db2.gz UVPWPKPACQGKDM-YSTOQKLRSA-N 2 1 314.473 2.814 20 30 DFEDMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CCCC2)CC1 ZINC000442787384 429235621 /nfs/dbraw/zinc/23/56/21/429235621.db2.gz DCBGIUSRZMRHJI-HZPDHXFCSA-N 2 1 305.466 2.692 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000491454411 429362315 /nfs/dbraw/zinc/36/23/15/429362315.db2.gz YPMLBLYXMHLVPG-QGZVFWFLSA-N 2 1 313.470 2.972 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000491454411 429362319 /nfs/dbraw/zinc/36/23/19/429362319.db2.gz YPMLBLYXMHLVPG-QGZVFWFLSA-N 2 1 313.470 2.972 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000491652146 429384936 /nfs/dbraw/zinc/38/49/36/429384936.db2.gz ACGLNCMJRNDJJD-ATZDWAIDSA-N 2 1 300.446 2.732 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000491652146 429384941 /nfs/dbraw/zinc/38/49/41/429384941.db2.gz ACGLNCMJRNDJJD-ATZDWAIDSA-N 2 1 300.446 2.732 20 30 DFEDMP C[N@H+]1CC[C@@]2(CCN(Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535211 429470753 /nfs/dbraw/zinc/47/07/53/429470753.db2.gz NJIRNUIFLLPPFF-LJQANCHMSA-N 2 1 313.445 2.897 20 30 DFEDMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535211 429470757 /nfs/dbraw/zinc/47/07/57/429470757.db2.gz NJIRNUIFLLPPFF-LJQANCHMSA-N 2 1 313.445 2.897 20 30 DFEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535211 429470762 /nfs/dbraw/zinc/47/07/62/429470762.db2.gz NJIRNUIFLLPPFF-LJQANCHMSA-N 2 1 313.445 2.897 20 30 DFEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535211 429470766 /nfs/dbraw/zinc/47/07/66/429470766.db2.gz NJIRNUIFLLPPFF-LJQANCHMSA-N 2 1 313.445 2.897 20 30 DFEDMP C[C@H]1C[NH+](CC2CC[NH+](CC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000450342355 429604315 /nfs/dbraw/zinc/60/43/15/429604315.db2.gz RYHKGXXMJQYMPS-HOTGVXAUSA-N 2 1 305.466 2.501 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450640037 429668958 /nfs/dbraw/zinc/66/89/58/429668958.db2.gz LWXSIBQEMWAMIN-UHFFFAOYSA-N 2 1 307.482 2.751 20 30 DFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000369054401 429909861 /nfs/dbraw/zinc/90/98/61/429909861.db2.gz KNRYQFFQAMUNIT-IRXDYDNUSA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000369054401 429909862 /nfs/dbraw/zinc/90/98/62/429909862.db2.gz KNRYQFFQAMUNIT-IRXDYDNUSA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000369054401 429909863 /nfs/dbraw/zinc/90/98/63/429909863.db2.gz KNRYQFFQAMUNIT-IRXDYDNUSA-N 2 1 305.466 2.503 20 30 DFEDMP C=C(C)CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000573263878 429939167 /nfs/dbraw/zinc/93/91/67/429939167.db2.gz MLIPZEUOIPLIJW-UHFFFAOYSA-N 2 1 321.509 2.607 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180721 430276919 /nfs/dbraw/zinc/27/69/19/430276919.db2.gz MTRNGDOQELLQJG-RBUKOAKNSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180721 430276921 /nfs/dbraw/zinc/27/69/21/430276921.db2.gz MTRNGDOQELLQJG-RBUKOAKNSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804823 430478095 /nfs/dbraw/zinc/47/80/95/430478095.db2.gz KFIOSCCCQQKWMP-HUUCEWRRSA-N 2 1 319.474 2.619 20 30 DFEDMP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000572301076 430680090 /nfs/dbraw/zinc/68/00/90/430680090.db2.gz WJZGFYXPKWPFGM-UHFFFAOYSA-N 2 1 324.428 2.768 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649402319 431090044 /nfs/dbraw/zinc/09/00/44/431090044.db2.gz QTJBDBWSRFHJLF-LJQANCHMSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCCn1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000653613940 431461426 /nfs/dbraw/zinc/46/14/26/431461426.db2.gz GZQKDJSDHXSDBO-JKSUJKDBSA-N 2 1 317.481 2.597 20 30 DFEDMP C=CCCn1cc(CNCCC[N@H+](C)C2CCCCC2)nn1 ZINC000657297262 431655025 /nfs/dbraw/zinc/65/50/25/431655025.db2.gz GGZQZFHVADVSFA-UHFFFAOYSA-N 2 1 305.470 2.598 20 30 DFEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CCN1C ZINC000093644633 332140951 /nfs/dbraw/zinc/14/09/51/332140951.db2.gz UKIKBNNEZXXEMI-VQIMIIECSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644633 332140952 /nfs/dbraw/zinc/14/09/52/332140952.db2.gz UKIKBNNEZXXEMI-VQIMIIECSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644633 332140953 /nfs/dbraw/zinc/14/09/53/332140953.db2.gz UKIKBNNEZXXEMI-VQIMIIECSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC[NH+]1C ZINC000093644633 332140955 /nfs/dbraw/zinc/14/09/55/332140955.db2.gz UKIKBNNEZXXEMI-VQIMIIECSA-N 2 1 314.477 2.951 20 30 DFEDMP Fc1ccc(C#CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000156154423 332464052 /nfs/dbraw/zinc/46/40/52/332464052.db2.gz XGUOLGWNGMUIBU-UHFFFAOYSA-N 2 1 300.421 2.985 20 30 DFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000184879725 333202295 /nfs/dbraw/zinc/20/22/95/333202295.db2.gz RXCQUZOTLLVUTE-AWEZNQCLSA-N 2 1 310.392 2.513 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668981 333326006 /nfs/dbraw/zinc/32/60/06/333326006.db2.gz CRNMHCLPTNYLBK-WBVHZDCISA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668981 333326008 /nfs/dbraw/zinc/32/60/08/333326008.db2.gz CRNMHCLPTNYLBK-WBVHZDCISA-N 2 1 324.428 2.868 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000237195668 333517389 /nfs/dbraw/zinc/51/73/89/333517389.db2.gz UABDBDNURUONQU-UHFFFAOYSA-N 2 1 312.461 2.776 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264125654 333953142 /nfs/dbraw/zinc/95/31/42/333953142.db2.gz SEXRMZKVCZIQIY-HOCLYGCPSA-N 2 1 318.465 2.535 20 30 DFEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267142472 333980186 /nfs/dbraw/zinc/98/01/86/333980186.db2.gz FYJSSGNBWLOVSO-KRWDZBQOSA-N 2 1 320.506 2.974 20 30 DFEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N(C)C2CC2)cc1 ZINC000273386627 334046074 /nfs/dbraw/zinc/04/60/74/334046074.db2.gz ZAPVSQVUDSDRFP-HNNXBMFYSA-N 2 1 314.477 2.970 20 30 DFEDMP C=CCc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(OC)c1O ZINC000414850048 334123063 /nfs/dbraw/zinc/12/30/63/334123063.db2.gz YVKUQJHLSCASQT-UHFFFAOYSA-N 2 1 304.434 2.881 20 30 DFEDMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000288628562 334161385 /nfs/dbraw/zinc/16/13/85/334161385.db2.gz AQNMQRFLWOPJCD-VXGBXAGGSA-N 2 1 310.392 2.812 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000415139328 334285002 /nfs/dbraw/zinc/28/50/02/334285002.db2.gz ZLPAYMHSKDXJLA-BBRMVZONSA-N 2 1 304.434 2.546 20 30 DFEDMP COc1ccc([C@@H](CCC#N)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000582220956 336022839 /nfs/dbraw/zinc/02/28/39/336022839.db2.gz RJVBKEDJYMAFCP-MAUKXSAKSA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000582220956 336022841 /nfs/dbraw/zinc/02/28/41/336022841.db2.gz RJVBKEDJYMAFCP-MAUKXSAKSA-N 2 1 301.434 2.971 20 30 DFEDMP C[C@H](C(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCCC1 ZINC000329923057 336095733 /nfs/dbraw/zinc/09/57/33/336095733.db2.gz UGEALKUUQYYNLH-HUUCEWRRSA-N 2 1 304.438 2.667 20 30 DFEDMP C=C(CC)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352885833 336330859 /nfs/dbraw/zinc/33/08/59/336330859.db2.gz DUZSVYFQLSPYIY-FQEVSTJZSA-N 2 1 313.489 2.845 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373027555 336946174 /nfs/dbraw/zinc/94/61/74/336946174.db2.gz FPOITBLAMNLCGD-RDJZCZTQSA-N 2 1 310.401 2.841 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000377539478 337054667 /nfs/dbraw/zinc/05/46/67/337054667.db2.gz DWBKXGWSLNOBPU-IBGZPJMESA-N 2 1 320.440 2.833 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000378454272 337073287 /nfs/dbraw/zinc/07/32/87/337073287.db2.gz KGCVRPGESQQOKD-FGTAOJJYSA-N 2 1 316.449 2.657 20 30 DFEDMP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000192989232 337308772 /nfs/dbraw/zinc/30/87/72/337308772.db2.gz QWARPNYRLBMYSA-SJORKVTESA-N 2 1 305.466 2.693 20 30 DFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262232634 337616038 /nfs/dbraw/zinc/61/60/38/337616038.db2.gz MMXWULAHZFIXNP-YESZJQIVSA-N 2 1 317.481 2.715 20 30 DFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429682694 338087346 /nfs/dbraw/zinc/08/73/46/338087346.db2.gz OBYVQLRZBXIMAE-UKBAYJJMSA-N 2 1 319.493 2.890 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264125650 517756310 /nfs/dbraw/zinc/75/63/10/517756310.db2.gz SEXRMZKVCZIQIY-GDBMZVCRSA-N 2 1 318.465 2.535 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591906701 398350112 /nfs/dbraw/zinc/35/01/12/398350112.db2.gz REHVONVJUXXMQI-NVXWUHKLSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906701 398350114 /nfs/dbraw/zinc/35/01/14/398350114.db2.gz REHVONVJUXXMQI-NVXWUHKLSA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906701 398350116 /nfs/dbraw/zinc/35/01/16/398350116.db2.gz REHVONVJUXXMQI-NVXWUHKLSA-N 2 1 318.465 2.642 20 30 DFEDMP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123610454 185825298 /nfs/dbraw/zinc/82/52/98/185825298.db2.gz ITXKWDQAPMWPMN-UHFFFAOYSA-N 2 1 313.449 2.808 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598586111 398835894 /nfs/dbraw/zinc/83/58/94/398835894.db2.gz OOJAPWNWGOWLSJ-QGZVFWFLSA-N 2 1 309.498 2.731 20 30 DFEDMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619620236 399369016 /nfs/dbraw/zinc/36/90/16/399369016.db2.gz JLDWFSKSMFSXJU-QGZVFWFLSA-N 2 1 316.449 2.929 20 30 DFEDMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619620236 399369018 /nfs/dbraw/zinc/36/90/18/399369018.db2.gz JLDWFSKSMFSXJU-QGZVFWFLSA-N 2 1 316.449 2.929 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)c1 ZINC000610992871 399425729 /nfs/dbraw/zinc/42/57/29/399425729.db2.gz PEHRCUAYWKNOLH-INIZCTEOSA-N 2 1 307.401 2.591 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602510371 399464384 /nfs/dbraw/zinc/46/43/84/399464384.db2.gz MRVYTKPUPWXDDW-LSDHHAIUSA-N 2 1 304.438 2.516 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000602516353 399466410 /nfs/dbraw/zinc/46/64/10/399466410.db2.gz ZMSNHZGROLQUAB-ZACQAIPSSA-N 2 1 307.482 2.938 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000602516353 399466412 /nfs/dbraw/zinc/46/64/12/399466412.db2.gz ZMSNHZGROLQUAB-ZACQAIPSSA-N 2 1 307.482 2.938 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000602516351 399466605 /nfs/dbraw/zinc/46/66/05/399466605.db2.gz ZMSNHZGROLQUAB-IKGGRYGDSA-N 2 1 307.482 2.938 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000602516351 399466607 /nfs/dbraw/zinc/46/66/07/399466607.db2.gz ZMSNHZGROLQUAB-IKGGRYGDSA-N 2 1 307.482 2.938 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602541146 399471976 /nfs/dbraw/zinc/47/19/76/399471976.db2.gz VEALSBVQUZGLGM-INIZCTEOSA-N 2 1 305.466 2.715 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715911 399535417 /nfs/dbraw/zinc/53/54/17/399535417.db2.gz PVGZMACMUCKONQ-SJLPKXTDSA-N 2 1 319.493 2.797 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366817561 335062091 /nfs/dbraw/zinc/06/20/91/335062091.db2.gz HAWJZLYLHXLORC-SFHVURJKSA-N 2 1 300.450 2.589 20 30 DFEDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000121795341 195348770 /nfs/dbraw/zinc/34/87/70/195348770.db2.gz IPGKOXWKWMYTMO-UHFFFAOYSA-N 2 1 300.431 2.808 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130283 542749915 /nfs/dbraw/zinc/74/99/15/542749915.db2.gz VICIPBXDMHKHIE-GUDVDZBRSA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130283 542749918 /nfs/dbraw/zinc/74/99/18/542749918.db2.gz VICIPBXDMHKHIE-GUDVDZBRSA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130283 542749920 /nfs/dbraw/zinc/74/99/20/542749920.db2.gz VICIPBXDMHKHIE-GUDVDZBRSA-N 2 1 305.510 2.901 20 30 DFEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172646691 145310557 /nfs/dbraw/zinc/31/05/57/145310557.db2.gz QAIVLJNGFNBBSN-SFHVURJKSA-N 2 1 313.445 2.745 20 30 DFEDMP CC[C@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CCC[NH2+]1 ZINC000422997986 267222111 /nfs/dbraw/zinc/22/21/11/267222111.db2.gz VWCPAUZXNOEGNY-IRXDYDNUSA-N 2 1 303.475 2.912 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCOC)cc2)CC1 ZINC000107318070 425989117 /nfs/dbraw/zinc/98/91/17/425989117.db2.gz QPGXALDJBCOUPL-UHFFFAOYSA-N 2 1 318.461 2.842 20 30 DFEDMP CCNC(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)=[NH+]CC ZINC000161528375 426028782 /nfs/dbraw/zinc/02/87/82/426028782.db2.gz YDDMPBCEGTVVLI-CQSZACIVSA-N 2 1 308.495 2.535 20 30 DFEDMP COCC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000127323815 426061254 /nfs/dbraw/zinc/06/12/54/426061254.db2.gz WOZYHYDVJIZSBU-UHFFFAOYSA-N 2 1 312.417 2.602 20 30 DFEDMP COCC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(C#N)cc1 ZINC000127323815 426061256 /nfs/dbraw/zinc/06/12/56/426061256.db2.gz WOZYHYDVJIZSBU-UHFFFAOYSA-N 2 1 312.417 2.602 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000128890015 426137047 /nfs/dbraw/zinc/13/70/47/426137047.db2.gz TUPPNCPPPAFOPV-LJQANCHMSA-N 2 1 302.462 2.910 20 30 DFEDMP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128890015 426137049 /nfs/dbraw/zinc/13/70/49/426137049.db2.gz TUPPNCPPPAFOPV-LJQANCHMSA-N 2 1 302.462 2.910 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128890015 426137050 /nfs/dbraw/zinc/13/70/50/426137050.db2.gz TUPPNCPPPAFOPV-LJQANCHMSA-N 2 1 302.462 2.910 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000152953870 426362963 /nfs/dbraw/zinc/36/29/63/426362963.db2.gz USLUAQNBTAHBSQ-UHFFFAOYSA-N 2 1 319.415 2.643 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000176970651 426430260 /nfs/dbraw/zinc/43/02/60/426430260.db2.gz LALLVSVHJNEIPU-PBHICJAKSA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000176970651 426430262 /nfs/dbraw/zinc/43/02/62/426430262.db2.gz LALLVSVHJNEIPU-PBHICJAKSA-N 2 1 321.490 2.846 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237210418 426688914 /nfs/dbraw/zinc/68/89/14/426688914.db2.gz XDPLJIWHLMNOPI-OALUTQOASA-N 2 1 312.461 2.753 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237210418 426688921 /nfs/dbraw/zinc/68/89/21/426688921.db2.gz XDPLJIWHLMNOPI-OALUTQOASA-N 2 1 312.461 2.753 20 30 DFEDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609869 426749803 /nfs/dbraw/zinc/74/98/03/426749803.db2.gz VUAYCYGEXDMDRW-KRWDZBQOSA-N 2 1 301.434 2.895 20 30 DFEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609869 426749809 /nfs/dbraw/zinc/74/98/09/426749809.db2.gz VUAYCYGEXDMDRW-KRWDZBQOSA-N 2 1 301.434 2.895 20 30 DFEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609869 426749811 /nfs/dbraw/zinc/74/98/11/426749811.db2.gz VUAYCYGEXDMDRW-KRWDZBQOSA-N 2 1 301.434 2.895 20 30 DFEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609869 426749817 /nfs/dbraw/zinc/74/98/17/426749817.db2.gz VUAYCYGEXDMDRW-KRWDZBQOSA-N 2 1 301.434 2.895 20 30 DFEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC#N)cc1 ZINC000266609869 426749820 /nfs/dbraw/zinc/74/98/20/426749820.db2.gz VUAYCYGEXDMDRW-KRWDZBQOSA-N 2 1 301.434 2.895 20 30 DFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000246465785 426836475 /nfs/dbraw/zinc/83/64/75/426836475.db2.gz WWDSQCGAPPNMQB-HZPDHXFCSA-N 2 1 315.461 2.644 20 30 DFEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274856852 426850379 /nfs/dbraw/zinc/85/03/79/426850379.db2.gz SIXMMWXRLSGBRD-NZSAHSFTSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274856854 426850900 /nfs/dbraw/zinc/85/09/00/426850900.db2.gz SIXMMWXRLSGBRD-YTQUADARSA-N 2 1 302.462 2.814 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328698038 426987697 /nfs/dbraw/zinc/98/76/97/426987697.db2.gz LNFRAKJCUZUHIX-ZDUSSCGKSA-N 2 1 304.438 2.659 20 30 DFEDMP Cc1cccc(NCCNC(=O)C2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000328787494 426997973 /nfs/dbraw/zinc/99/79/73/426997973.db2.gz XCLMQBJRIGWNLI-UHFFFAOYSA-N 2 1 302.422 2.633 20 30 DFEDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2cncc2C1 ZINC000329393545 427107981 /nfs/dbraw/zinc/10/79/81/427107981.db2.gz WFUYGLBFNHBAHE-LSDHHAIUSA-N 2 1 304.438 2.667 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)N(C)C ZINC000262160696 427351798 /nfs/dbraw/zinc/35/17/98/427351798.db2.gz CCFVCBBMAWEJIJ-AWEZNQCLSA-N 2 1 308.495 2.658 20 30 DFEDMP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262422115 427359266 /nfs/dbraw/zinc/35/92/66/427359266.db2.gz RCHLRYIDMUYIJQ-HIFRSBDPSA-N 2 1 308.495 2.691 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000263170681 427429272 /nfs/dbraw/zinc/42/92/72/427429272.db2.gz RJAYHGKNCQFYPV-APWZRJJASA-N 2 1 315.461 2.785 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000264108482 427657589 /nfs/dbraw/zinc/65/75/89/427657589.db2.gz QAZOMOHFTQSTHQ-OAHLLOKOSA-N 2 1 318.465 2.934 20 30 DFEDMP C[N@H+](CCOc1ccccc1C#N)CC[C@H]1CCCC[NH+]1C ZINC000351596508 428100440 /nfs/dbraw/zinc/10/04/40/428100440.db2.gz IUGHSDVOMXIBMT-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@@H+](CCOc1ccccc1C#N)CC[C@H]1CCCC[NH+]1C ZINC000351596508 428100446 /nfs/dbraw/zinc/10/04/46/428100446.db2.gz IUGHSDVOMXIBMT-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccccc1C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000351596508 428100450 /nfs/dbraw/zinc/10/04/50/428100450.db2.gz IUGHSDVOMXIBMT-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccccc1C#N)CC[C@H]1CCCC[N@H+]1C ZINC000351596508 428100454 /nfs/dbraw/zinc/10/04/54/428100454.db2.gz IUGHSDVOMXIBMT-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000370171072 428150865 /nfs/dbraw/zinc/15/08/65/428150865.db2.gz GGBPWXLNOQAWJU-UHFFFAOYSA-N 2 1 313.445 2.875 20 30 DFEDMP C=C(Cl)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370189923 428155150 /nfs/dbraw/zinc/15/51/50/428155150.db2.gz CEVHBZQFZYIJCA-UHFFFAOYSA-N 2 1 313.917 2.867 20 30 DFEDMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341763779 428187023 /nfs/dbraw/zinc/18/70/23/428187023.db2.gz ZBEGHQHJKCTIQH-IBGZPJMESA-N 2 1 313.445 2.636 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346848874 428344453 /nfs/dbraw/zinc/34/44/53/428344453.db2.gz OODQDXDCXRIROC-YESZJQIVSA-N 2 1 316.445 2.689 20 30 DFEDMP C=CCOCCC[N@H+](C)C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000348108544 428639106 /nfs/dbraw/zinc/63/91/06/428639106.db2.gz TVCVJBDHXYXSOO-MSOLQXFVSA-N 2 1 303.450 2.599 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cc(OC)nc2C)CC1 ZINC000358986913 428760446 /nfs/dbraw/zinc/76/04/46/428760446.db2.gz VQCBPHDPXNRGOH-UHFFFAOYSA-N 2 1 303.450 2.837 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221947 428922600 /nfs/dbraw/zinc/92/26/00/428922600.db2.gz IBVBNNRKFKPPSL-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221947 428922607 /nfs/dbraw/zinc/92/26/07/428922607.db2.gz IBVBNNRKFKPPSL-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221947 428922614 /nfs/dbraw/zinc/92/26/14/428922614.db2.gz IBVBNNRKFKPPSL-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221947 428922617 /nfs/dbraw/zinc/92/26/17/428922617.db2.gz IBVBNNRKFKPPSL-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C#N)c(F)c1 ZINC000423184012 429054724 /nfs/dbraw/zinc/05/47/24/429054724.db2.gz HFSGSRFSSRGMRP-AWEZNQCLSA-N 2 1 312.392 2.923 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000453284677 429146524 /nfs/dbraw/zinc/14/65/24/429146524.db2.gz BJLHRNJSWOQJAL-XLAORIBOSA-N 2 1 307.482 2.795 20 30 DFEDMP Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C#N)cn1 ZINC000425255139 429252999 /nfs/dbraw/zinc/25/29/99/429252999.db2.gz MRPUDHZLOBASQI-KRWDZBQOSA-N 2 1 321.428 2.615 20 30 DFEDMP C[C@@H]1C[N@@H+](CC#CCN2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000573528209 429959932 /nfs/dbraw/zinc/95/99/32/429959932.db2.gz XPXBJMXBNVFOHL-OKILXGFUSA-N 2 1 320.374 2.944 20 30 DFEDMP C[C@@H]1CN(CC#CC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000573528209 429959937 /nfs/dbraw/zinc/95/99/37/429959937.db2.gz XPXBJMXBNVFOHL-OKILXGFUSA-N 2 1 320.374 2.944 20 30 DFEDMP C[C@@H]1CN(CC#CC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000573528209 429959939 /nfs/dbraw/zinc/95/99/39/429959939.db2.gz XPXBJMXBNVFOHL-OKILXGFUSA-N 2 1 320.374 2.944 20 30 DFEDMP CC#CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768284 430467865 /nfs/dbraw/zinc/46/78/65/430467865.db2.gz ZCUOYOWDAIYGRA-MOPGFXCFSA-N 2 1 312.457 2.548 20 30 DFEDMP CC#CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768284 430467867 /nfs/dbraw/zinc/46/78/67/430467867.db2.gz ZCUOYOWDAIYGRA-MOPGFXCFSA-N 2 1 312.457 2.548 20 30 DFEDMP C=C(CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000644647403 430779089 /nfs/dbraw/zinc/77/90/89/430779089.db2.gz WUDDBMDFHGOCPE-OAQYLSRUSA-N 2 1 322.452 2.709 20 30 DFEDMP C=C(CNC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000644647403 430779096 /nfs/dbraw/zinc/77/90/96/430779096.db2.gz WUDDBMDFHGOCPE-OAQYLSRUSA-N 2 1 322.452 2.709 20 30 DFEDMP C=CCc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(OC)c1O ZINC000647482903 431601425 /nfs/dbraw/zinc/60/14/25/431601425.db2.gz IDEMKZOLSQKPFR-UHFFFAOYSA-N 2 1 316.445 2.846 20 30 DFEDMP C=CCc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(OC)c1O ZINC000647482903 431601433 /nfs/dbraw/zinc/60/14/33/431601433.db2.gz IDEMKZOLSQKPFR-UHFFFAOYSA-N 2 1 316.445 2.846 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498285 431607021 /nfs/dbraw/zinc/60/70/21/431607021.db2.gz DNZPJYAJTGEZCW-HZPDHXFCSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498285 431607027 /nfs/dbraw/zinc/60/70/27/431607027.db2.gz DNZPJYAJTGEZCW-HZPDHXFCSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc(OC)c1O ZINC000647498401 431610080 /nfs/dbraw/zinc/61/00/80/431610080.db2.gz GNWZBTMQQJTHRS-HOCLYGCPSA-N 2 1 304.434 2.689 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc(OC)c1O ZINC000647498401 431610085 /nfs/dbraw/zinc/61/00/85/431610085.db2.gz GNWZBTMQQJTHRS-HOCLYGCPSA-N 2 1 304.434 2.689 20 30 DFEDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000565152819 302197920 /nfs/dbraw/zinc/19/79/20/302197920.db2.gz QWRJOIYYEWMMRA-MOPGFXCFSA-N 2 1 315.461 2.836 20 30 DFEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CCN1C ZINC000093644634 332140979 /nfs/dbraw/zinc/14/09/79/332140979.db2.gz UKIKBNNEZXXEMI-QFBILLFUSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644634 332140980 /nfs/dbraw/zinc/14/09/80/332140980.db2.gz UKIKBNNEZXXEMI-QFBILLFUSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644634 332140981 /nfs/dbraw/zinc/14/09/81/332140981.db2.gz UKIKBNNEZXXEMI-QFBILLFUSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC[NH+]1C ZINC000093644634 332140982 /nfs/dbraw/zinc/14/09/82/332140982.db2.gz UKIKBNNEZXXEMI-QFBILLFUSA-N 2 1 314.477 2.951 20 30 DFEDMP C=CCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292821930 335095916 /nfs/dbraw/zinc/09/59/16/335095916.db2.gz QDBYAMDVPQQQQY-LJQANCHMSA-N 2 1 316.445 2.788 20 30 DFEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCCC1 ZINC000103905748 332242510 /nfs/dbraw/zinc/24/25/10/332242510.db2.gz UYAHMGORQZTART-OAHLLOKOSA-N 2 1 304.438 2.524 20 30 DFEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236904837 332244165 /nfs/dbraw/zinc/24/41/65/332244165.db2.gz PTRXDQDFBVJDDP-QGZVFWFLSA-N 2 1 301.434 2.801 20 30 DFEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000104155173 332244222 /nfs/dbraw/zinc/24/42/22/332244222.db2.gz ALRUIRVMWLZNGV-OAHLLOKOSA-N 2 1 318.465 2.535 20 30 DFEDMP C[NH+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000120035558 332381898 /nfs/dbraw/zinc/38/18/98/332381898.db2.gz RGYRPTYYAPDJGA-UHFFFAOYSA-N 2 1 311.433 2.505 20 30 DFEDMP C=CCOCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293679809 335114710 /nfs/dbraw/zinc/11/47/10/335114710.db2.gz VJVCORNRBNYYTG-IBGZPJMESA-N 2 1 300.446 2.787 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668978 333325995 /nfs/dbraw/zinc/32/59/95/333325995.db2.gz CRNMHCLPTNYLBK-DOTOQJQBSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668978 333325997 /nfs/dbraw/zinc/32/59/97/333325997.db2.gz CRNMHCLPTNYLBK-DOTOQJQBSA-N 2 1 324.428 2.868 20 30 DFEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000414309702 333937219 /nfs/dbraw/zinc/93/72/19/333937219.db2.gz VKZXSYNNWLIRKY-LJQANCHMSA-N 2 1 302.462 2.874 20 30 DFEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267310400 333982031 /nfs/dbraw/zinc/98/20/31/333982031.db2.gz NOBPNKYKPWIOHQ-UHFFFAOYSA-N 2 1 311.433 2.887 20 30 DFEDMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000288628559 334161460 /nfs/dbraw/zinc/16/14/60/334161460.db2.gz AQNMQRFLWOPJCD-RYUDHWBXSA-N 2 1 310.392 2.812 20 30 DFEDMP C[C@H]1C[C@H]([N@@H+](C)CCOCCC#N)CCN1Cc1ccccc1 ZINC000292703240 334191192 /nfs/dbraw/zinc/19/11/92/334191192.db2.gz DKTWWFHBGQUPHM-PKOBYXMFSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@H]1C[C@H]([NH+](C)CCOCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000292703240 334191193 /nfs/dbraw/zinc/19/11/93/334191193.db2.gz DKTWWFHBGQUPHM-PKOBYXMFSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@H]1C[C@H]([NH+](C)CCOCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000292703240 334191195 /nfs/dbraw/zinc/19/11/95/334191195.db2.gz DKTWWFHBGQUPHM-PKOBYXMFSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@H]1C[C@H]([N@H+](C)CCOCCC#N)CC[NH+]1Cc1ccccc1 ZINC000292703240 334191197 /nfs/dbraw/zinc/19/11/97/334191197.db2.gz DKTWWFHBGQUPHM-PKOBYXMFSA-N 2 1 315.461 2.902 20 30 DFEDMP C[N@@H+](CCOCCC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000293912122 334203269 /nfs/dbraw/zinc/20/32/69/334203269.db2.gz XAPFKWJUFUIYKQ-UHFFFAOYSA-N 2 1 316.449 2.550 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OC)c1O ZINC000415139334 334285018 /nfs/dbraw/zinc/28/50/18/334285018.db2.gz ZLPAYMHSKDXJLA-CZUORRHYSA-N 2 1 304.434 2.546 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366785491 334566806 /nfs/dbraw/zinc/56/68/06/334566806.db2.gz DETMFCFEKHYKAY-QGZVFWFLSA-N 2 1 323.444 2.585 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C2 ZINC000329785687 336081584 /nfs/dbraw/zinc/08/15/84/336081584.db2.gz QDSSZZNVDLMUMY-CVEARBPZSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000329785687 336081585 /nfs/dbraw/zinc/08/15/85/336081585.db2.gz QDSSZZNVDLMUMY-CVEARBPZSA-N 2 1 318.465 2.831 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CCCC1 ZINC000103905766 336383127 /nfs/dbraw/zinc/38/31/27/336383127.db2.gz BXXTZGWYRUPHSW-HNNXBMFYSA-N 2 1 320.506 2.993 20 30 DFEDMP Cc1ccc([C@H](CNC(=[NH2+])NC2CCCCC2)[NH+]2CCCC2)o1 ZINC000104191335 336383890 /nfs/dbraw/zinc/38/38/90/336383890.db2.gz DOKSJIBRTDBQRV-INIZCTEOSA-N 2 1 318.465 2.962 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121724171 336976522 /nfs/dbraw/zinc/97/65/22/336976522.db2.gz UZKXLCSLZKBUEX-KSZLIROESA-N 2 1 304.478 2.964 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000376115570 337027450 /nfs/dbraw/zinc/02/74/50/337027450.db2.gz OTDQUPCZADLGPG-HOCLYGCPSA-N 2 1 310.401 2.526 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000377643408 337057312 /nfs/dbraw/zinc/05/73/12/337057312.db2.gz DMHYWRZDTAFZCR-IRXDYDNUSA-N 2 1 316.445 2.846 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000377643408 337057313 /nfs/dbraw/zinc/05/73/13/337057313.db2.gz DMHYWRZDTAFZCR-IRXDYDNUSA-N 2 1 316.445 2.846 20 30 DFEDMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)[NH+]1CCCC1 ZINC000378451212 337073149 /nfs/dbraw/zinc/07/31/49/337073149.db2.gz DLMRHLCMIHBWGD-OYSTVDSJSA-N 2 1 319.493 2.936 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194032138 337461475 /nfs/dbraw/zinc/46/14/75/337461475.db2.gz UZKXLCSLZKBUEX-KZNAEPCWSA-N 2 1 304.478 2.964 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000066243167 398364311 /nfs/dbraw/zinc/36/43/11/398364311.db2.gz KOVWABVNQNEAGJ-HNNXBMFYSA-N 2 1 300.450 2.509 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337180510 398575481 /nfs/dbraw/zinc/57/54/81/398575481.db2.gz MCEPMNNZAKWLED-IRXDYDNUSA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337180510 398575485 /nfs/dbraw/zinc/57/54/85/398575485.db2.gz MCEPMNNZAKWLED-IRXDYDNUSA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337180510 398575488 /nfs/dbraw/zinc/57/54/88/398575488.db2.gz MCEPMNNZAKWLED-IRXDYDNUSA-N 2 1 307.482 2.892 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000375889356 283154221 /nfs/dbraw/zinc/15/42/21/283154221.db2.gz OPSVWIFEGFBUPY-AZUAARDMSA-N 2 1 324.472 2.743 20 30 DFEDMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612413 398841369 /nfs/dbraw/zinc/84/13/69/398841369.db2.gz OZCUCSPCBYDGDX-ZMSDIMECSA-N 2 1 307.482 2.530 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594975325 398884913 /nfs/dbraw/zinc/88/49/13/398884913.db2.gz QVSQWTZWIJZNNN-GOSISDBHSA-N 2 1 315.461 2.673 20 30 DFEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595906039 399130886 /nfs/dbraw/zinc/13/08/86/399130886.db2.gz VPUFSIGUTYHTAW-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595906039 399130889 /nfs/dbraw/zinc/13/08/89/399130889.db2.gz VPUFSIGUTYHTAW-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000602501285 399461738 /nfs/dbraw/zinc/46/17/38/399461738.db2.gz FFMAIICBHHCNSB-MRXNPFEDSA-N 2 1 301.434 2.548 20 30 DFEDMP N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611409708 399472307 /nfs/dbraw/zinc/47/23/07/399472307.db2.gz UIEGFCQBXNPBFV-PKOBYXMFSA-N 2 1 313.445 2.943 20 30 DFEDMP C[C@@H]1C[C@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000156635967 197129434 /nfs/dbraw/zinc/12/94/34/197129434.db2.gz CFTBPQBPCSRJBN-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@@H]1C[C@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000156635967 197129436 /nfs/dbraw/zinc/12/94/36/197129436.db2.gz CFTBPQBPCSRJBN-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@@H]1C[C@H]([N@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156635967 197129437 /nfs/dbraw/zinc/12/94/37/197129437.db2.gz CFTBPQBPCSRJBN-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@@H]1C[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156635967 197129439 /nfs/dbraw/zinc/12/94/39/197129439.db2.gz CFTBPQBPCSRJBN-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP C[NH+]1CCC2(CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000374074447 150303121 /nfs/dbraw/zinc/30/31/21/150303121.db2.gz KQITYETUWSZZKX-UHFFFAOYSA-N 2 1 313.445 2.745 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000350322112 266116367 /nfs/dbraw/zinc/11/63/67/266116367.db2.gz HEDBPIBPSHDEEL-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000350322112 266116370 /nfs/dbraw/zinc/11/63/70/266116370.db2.gz HEDBPIBPSHDEEL-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162941171 426083376 /nfs/dbraw/zinc/08/33/76/426083376.db2.gz ZTPMHPLZXFYGKH-UHFFFAOYSA-N 2 1 324.428 2.997 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597388 426355866 /nfs/dbraw/zinc/35/58/66/426355866.db2.gz RGCKQUNNANOXRM-SJLPKXTDSA-N 2 1 313.445 2.895 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597388 426355869 /nfs/dbraw/zinc/35/58/69/426355869.db2.gz RGCKQUNNANOXRM-SJLPKXTDSA-N 2 1 313.445 2.895 20 30 DFEDMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000290663692 426814484 /nfs/dbraw/zinc/81/44/84/426814484.db2.gz ZVNXORUTKXXVRH-GOSISDBHSA-N 2 1 313.445 2.731 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516165 426841720 /nfs/dbraw/zinc/84/17/20/426841720.db2.gz INUNXMOJVUGVRB-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516165 426841726 /nfs/dbraw/zinc/84/17/26/426841726.db2.gz INUNXMOJVUGVRB-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516165 426841730 /nfs/dbraw/zinc/84/17/30/426841730.db2.gz INUNXMOJVUGVRB-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516165 426841734 /nfs/dbraw/zinc/84/17/34/426841734.db2.gz INUNXMOJVUGVRB-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247275728 426923121 /nfs/dbraw/zinc/92/31/21/426923121.db2.gz YHSPZLWZTPHLQC-SUMDDJOVSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247275728 426923127 /nfs/dbraw/zinc/92/31/27/426923127.db2.gz YHSPZLWZTPHLQC-SUMDDJOVSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247275728 426923132 /nfs/dbraw/zinc/92/31/32/426923132.db2.gz YHSPZLWZTPHLQC-SUMDDJOVSA-N 2 1 313.445 2.894 20 30 DFEDMP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000320362755 426967458 /nfs/dbraw/zinc/96/74/58/426967458.db2.gz HLSNNMIPQVLWIJ-LJQANCHMSA-N 2 1 302.462 2.610 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C)C2)CC1 ZINC000248401040 426995018 /nfs/dbraw/zinc/99/50/18/426995018.db2.gz RFPLLNFZSHOKTA-KBAYOESNSA-N 2 1 322.493 2.984 20 30 DFEDMP C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276578388 427102919 /nfs/dbraw/zinc/10/29/19/427102919.db2.gz AQLNQALWJYKAJS-LPHOPBHVSA-N 2 1 322.456 2.897 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H](C)C1 ZINC000248934018 427063931 /nfs/dbraw/zinc/06/39/31/427063931.db2.gz YDLRNJNJAJRCKV-FJIDUMEYSA-N 2 1 307.482 2.795 20 30 DFEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1cc(F)ccc1F ZINC000262259431 427354197 /nfs/dbraw/zinc/35/41/97/427354197.db2.gz FWZGTGCICGUUGF-CYBMUJFWSA-N 2 1 308.376 2.708 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000263170687 427428727 /nfs/dbraw/zinc/42/87/27/427428727.db2.gz RJAYHGKNCQFYPV-VQIMIIECSA-N 2 1 315.461 2.785 20 30 DFEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271527509 427572156 /nfs/dbraw/zinc/57/21/56/427572156.db2.gz RJZMIVHQSUVPQS-WMZOPIPTSA-N 2 1 302.487 2.996 20 30 DFEDMP C#CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271527509 427572161 /nfs/dbraw/zinc/57/21/61/427572161.db2.gz RJZMIVHQSUVPQS-WMZOPIPTSA-N 2 1 302.487 2.996 20 30 DFEDMP CCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000264090056 427655185 /nfs/dbraw/zinc/65/51/85/427655185.db2.gz KSYZVHQUQCVZNX-MRXNPFEDSA-N 2 1 318.465 2.537 20 30 DFEDMP C=CCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339200865 427727707 /nfs/dbraw/zinc/72/77/07/427727707.db2.gz JMMBGWOZYZKZCI-OALUTQOASA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200865 427727710 /nfs/dbraw/zinc/72/77/10/427727710.db2.gz JMMBGWOZYZKZCI-OALUTQOASA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200865 427727713 /nfs/dbraw/zinc/72/77/13/427727713.db2.gz JMMBGWOZYZKZCI-OALUTQOASA-N 2 1 300.446 2.643 20 30 DFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)CC[C@@H]1CCCC[NH+]1C ZINC000337135287 427803471 /nfs/dbraw/zinc/80/34/71/427803471.db2.gz BTVMNOFZLWHIPE-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+](CCCC1(C#N)CCOCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000337135287 427803473 /nfs/dbraw/zinc/80/34/73/427803473.db2.gz BTVMNOFZLWHIPE-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+](CCCC1(C#N)CCOCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000337135287 427803476 /nfs/dbraw/zinc/80/34/76/427803476.db2.gz BTVMNOFZLWHIPE-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000356381653 428151692 /nfs/dbraw/zinc/15/16/92/428151692.db2.gz AJMVIHWFSAEUTK-CYBMUJFWSA-N 2 1 311.351 2.961 20 30 DFEDMP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000356381653 428151701 /nfs/dbraw/zinc/15/17/01/428151701.db2.gz AJMVIHWFSAEUTK-CYBMUJFWSA-N 2 1 311.351 2.961 20 30 DFEDMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000356381653 428151704 /nfs/dbraw/zinc/15/17/04/428151704.db2.gz AJMVIHWFSAEUTK-CYBMUJFWSA-N 2 1 311.351 2.961 20 30 DFEDMP C[NH+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000356381653 428151710 /nfs/dbraw/zinc/15/17/10/428151710.db2.gz AJMVIHWFSAEUTK-CYBMUJFWSA-N 2 1 311.351 2.961 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1O ZINC000347046592 428421780 /nfs/dbraw/zinc/42/17/80/428421780.db2.gz OTJVBLVYYIMVDN-CZUORRHYSA-N 2 1 304.434 2.689 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1O ZINC000347046590 428422747 /nfs/dbraw/zinc/42/27/47/428422747.db2.gz OTJVBLVYYIMVDN-CJNGLKHVSA-N 2 1 304.434 2.689 20 30 DFEDMP C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000373073580 428515436 /nfs/dbraw/zinc/51/54/36/428515436.db2.gz FDRALYJINVWIQB-ROUUACIJSA-N 2 1 320.525 2.664 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362032971 428610924 /nfs/dbraw/zinc/61/09/24/428610924.db2.gz RFZVCBOXKLEPRD-FQBWVUSXSA-N 2 1 319.493 2.936 20 30 DFEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358743076 428654378 /nfs/dbraw/zinc/65/43/78/428654378.db2.gz KAMBQAOWYFMGRO-QGZVFWFLSA-N 2 1 323.525 2.757 20 30 DFEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362232476 428670443 /nfs/dbraw/zinc/67/04/43/428670443.db2.gz BWUDUNJRTOERBS-SFFUCWETSA-N 2 1 305.466 2.548 20 30 DFEDMP C=C(CC)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358849684 428704496 /nfs/dbraw/zinc/70/44/96/428704496.db2.gz AOALAZGYLVOBRE-CALCHBBNSA-N 2 1 310.482 2.543 20 30 DFEDMP C=C(CC)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358849684 428704501 /nfs/dbraw/zinc/70/45/01/428704501.db2.gz AOALAZGYLVOBRE-CALCHBBNSA-N 2 1 310.482 2.543 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000348266583 428685168 /nfs/dbraw/zinc/68/51/68/428685168.db2.gz IWBQGZBIHADPOG-QGZVFWFLSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000348266583 428685170 /nfs/dbraw/zinc/68/51/70/428685170.db2.gz IWBQGZBIHADPOG-QGZVFWFLSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000348266583 428685175 /nfs/dbraw/zinc/68/51/75/428685175.db2.gz IWBQGZBIHADPOG-QGZVFWFLSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000348266583 428685178 /nfs/dbraw/zinc/68/51/78/428685178.db2.gz IWBQGZBIHADPOG-QGZVFWFLSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000348266583 428685183 /nfs/dbraw/zinc/68/51/83/428685183.db2.gz IWBQGZBIHADPOG-QGZVFWFLSA-N 2 1 313.445 2.601 20 30 DFEDMP C=CC[NH+](CC=C)[C@@H](CNc1nc(C)[nH+]c(C)c1C)C(C)C ZINC000348720991 428819727 /nfs/dbraw/zinc/81/97/27/428819727.db2.gz GLZGQQIAPKAUJK-KRWDZBQOSA-N 2 1 302.466 3.512 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000363616709 428956101 /nfs/dbraw/zinc/95/61/01/428956101.db2.gz NJJQYEROMWDUCS-DLBZAZTESA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000363616709 428956105 /nfs/dbraw/zinc/95/61/05/428956105.db2.gz NJJQYEROMWDUCS-DLBZAZTESA-N 2 1 316.445 2.976 20 30 DFEDMP C#CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000271059609 275379121 /nfs/dbraw/zinc/37/91/21/275379121.db2.gz SEFPKLFJVCMWJQ-HXUWFJFHSA-N 2 1 314.473 2.777 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CCO1 ZINC000442798284 429237402 /nfs/dbraw/zinc/23/74/02/429237402.db2.gz YJUABHKVVWFSQO-JTDSTZFVSA-N 2 1 313.445 2.689 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CCO1 ZINC000442798284 429237405 /nfs/dbraw/zinc/23/74/05/429237405.db2.gz YJUABHKVVWFSQO-JTDSTZFVSA-N 2 1 313.445 2.689 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000491165139 429329512 /nfs/dbraw/zinc/32/95/12/429329512.db2.gz IVJYEIJLORHFCL-MJGOQNOKSA-N 2 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000491165139 429329515 /nfs/dbraw/zinc/32/95/15/429329515.db2.gz IVJYEIJLORHFCL-MJGOQNOKSA-N 2 1 305.510 2.574 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449517056 429441497 /nfs/dbraw/zinc/44/14/97/429441497.db2.gz DNWKYJYJUXXLTK-LULLPPNCSA-N 2 1 300.446 2.830 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366785490 429514378 /nfs/dbraw/zinc/51/43/78/429514378.db2.gz DETMFCFEKHYKAY-KRWDZBQOSA-N 2 1 323.444 2.585 20 30 DFEDMP C=CCCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000562697654 430166984 /nfs/dbraw/zinc/16/69/84/430166984.db2.gz IWHJJNAXGIIIHL-UHFFFAOYSA-N 2 1 321.509 2.609 20 30 DFEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]CCC#N)cc2)C[C@H]1C ZINC000566113825 430240541 /nfs/dbraw/zinc/24/05/41/430240541.db2.gz ZCOVTFAWCKLMOH-CALCHBBNSA-N 2 1 315.461 2.699 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639044608 430500800 /nfs/dbraw/zinc/50/08/00/430500800.db2.gz NYMQUOZISKPTDZ-ZHALLVOQSA-N 2 1 300.446 2.881 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639044608 430500801 /nfs/dbraw/zinc/50/08/01/430500801.db2.gz NYMQUOZISKPTDZ-ZHALLVOQSA-N 2 1 300.446 2.881 20 30 DFEDMP FC(F)C1CC[NH+](CC#CC[NH+]2CCC(C(F)F)CC2)CC1 ZINC000556497804 430686553 /nfs/dbraw/zinc/68/65/53/430686553.db2.gz UKYFBMOOBDQZIR-UHFFFAOYSA-N 2 1 320.374 2.944 20 30 DFEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657875207 430759603 /nfs/dbraw/zinc/75/96/03/430759603.db2.gz BMQGFUHMOOTVDJ-AEFFLSMTSA-N 2 1 321.509 2.654 20 30 DFEDMP C=CC[C@]1(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CCC[NH2+]1 ZINC000662682928 431163102 /nfs/dbraw/zinc/16/31/02/431163102.db2.gz KRPDVAQVUHUGLJ-LJQANCHMSA-N 2 1 321.509 2.655 20 30 DFEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CCC[NH2+]1 ZINC000662728706 431175997 /nfs/dbraw/zinc/17/59/97/431175997.db2.gz AYTHFKRUXVRTSJ-VQIMIIECSA-N 2 1 321.509 2.702 20 30 DFEDMP CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573005425 318010646 /nfs/dbraw/zinc/01/06/46/318010646.db2.gz PEAWWVSLEZYZOX-XYPWUTKMSA-N 2 1 314.389 2.523 20 30 DFEDMP CC(C)[NH2+]CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000577383030 318189551 /nfs/dbraw/zinc/18/95/51/318189551.db2.gz KMZBQUFEAPUYNA-UHFFFAOYSA-N 2 1 314.477 2.500 20 30 DFEDMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000530513130 331508341 /nfs/dbraw/zinc/50/83/41/331508341.db2.gz HIIHXFSLSNBCFQ-UHFFFAOYSA-N 2 1 308.429 2.956 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000092253758 332122998 /nfs/dbraw/zinc/12/29/98/332122998.db2.gz NGQYIPIHWWVSDT-GOSISDBHSA-N 2 1 314.477 2.810 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253758 332123000 /nfs/dbraw/zinc/12/30/00/332123000.db2.gz NGQYIPIHWWVSDT-GOSISDBHSA-N 2 1 314.477 2.810 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253758 332123002 /nfs/dbraw/zinc/12/30/02/332123002.db2.gz NGQYIPIHWWVSDT-GOSISDBHSA-N 2 1 314.477 2.810 20 30 DFEDMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCCCC#N ZINC000237321772 332342318 /nfs/dbraw/zinc/34/23/18/332342318.db2.gz DGQFQGBRCHATDP-UHFFFAOYSA-N 2 1 317.433 2.562 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000378539993 333039729 /nfs/dbraw/zinc/03/97/29/333039729.db2.gz BKMSUURPTAEBIX-IPMKNSEASA-N 2 1 300.446 2.689 20 30 DFEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170911327 333042241 /nfs/dbraw/zinc/04/22/41/333042241.db2.gz KLIXZZYHBFPMQM-UHFFFAOYSA-N 2 1 311.433 2.849 20 30 DFEDMP C=CCOCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000294567685 335125941 /nfs/dbraw/zinc/12/59/41/335125941.db2.gz LYNJMNZRISXBPY-DZFIZOCASA-N 2 1 302.462 2.935 20 30 DFEDMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000185886695 333215543 /nfs/dbraw/zinc/21/55/43/333215543.db2.gz SOKALYOQHOZVKZ-WBVHZDCISA-N 2 1 313.449 2.734 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000294890685 335128517 /nfs/dbraw/zinc/12/85/17/335128517.db2.gz DZTHSPJSJBFHRX-OAHLLOKOSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000294890685 335128518 /nfs/dbraw/zinc/12/85/18/335128518.db2.gz DZTHSPJSJBFHRX-OAHLLOKOSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294949887 335129271 /nfs/dbraw/zinc/12/92/71/335129271.db2.gz INGLHPGLNRKPQS-UYAOXDASSA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294949887 335129272 /nfs/dbraw/zinc/12/92/72/335129272.db2.gz INGLHPGLNRKPQS-UYAOXDASSA-N 3 1 313.489 2.584 20 30 DFEDMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000277277985 334087527 /nfs/dbraw/zinc/08/75/27/334087527.db2.gz JWSVRLSSBMCTAC-INIZCTEOSA-N 2 1 318.465 2.531 20 30 DFEDMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCC#N)cc1 ZINC000278955870 334104234 /nfs/dbraw/zinc/10/42/34/334104234.db2.gz LULNVBYEDMTZNQ-HUUCEWRRSA-N 2 1 310.401 2.699 20 30 DFEDMP CC(C)Oc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000287010464 334155895 /nfs/dbraw/zinc/15/58/95/334155895.db2.gz FSTIJAQQSKTYFG-QGZVFWFLSA-N 2 1 320.481 2.556 20 30 DFEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288775590 334162197 /nfs/dbraw/zinc/16/21/97/334162197.db2.gz VNHTVWIOFAQRRY-LBPRGKRZSA-N 2 1 310.392 2.956 20 30 DFEDMP C=C(C)CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351731727 336063263 /nfs/dbraw/zinc/06/32/63/336063263.db2.gz OOBSHIAGQTWLOX-IAGOWNOFSA-N 2 1 310.482 2.543 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+](C)C)CCCC1)C2 ZINC000329804811 336084116 /nfs/dbraw/zinc/08/41/16/336084116.db2.gz AGEMCUWNOJVDQA-AWEZNQCLSA-N 2 1 304.438 2.585 20 30 DFEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105457977 336387615 /nfs/dbraw/zinc/38/76/15/336387615.db2.gz GYGAXNMVZHXGRB-QGZVFWFLSA-N 2 1 300.446 2.909 20 30 DFEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105457977 336387616 /nfs/dbraw/zinc/38/76/16/336387616.db2.gz GYGAXNMVZHXGRB-QGZVFWFLSA-N 2 1 300.446 2.909 20 30 DFEDMP CC[C@H](CC#N)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000358291316 336621801 /nfs/dbraw/zinc/62/18/01/336621801.db2.gz SQMVKXBKUZJKJK-QGZVFWFLSA-N 2 1 300.450 2.610 20 30 DFEDMP N#CCC[C@H](C#N)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767434 337060569 /nfs/dbraw/zinc/06/05/69/337060569.db2.gz MUFAOMDUDPHTSQ-HSALFYBXSA-N 2 1 322.456 2.884 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186326408 337255328 /nfs/dbraw/zinc/25/53/28/337255328.db2.gz YJOVULARSAGQNP-MSOLQXFVSA-N 2 1 322.493 2.591 20 30 DFEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000261997715 337614007 /nfs/dbraw/zinc/61/40/07/337614007.db2.gz ONXLODAUNRMSIU-GOEBONIOSA-N 2 1 318.465 2.772 20 30 DFEDMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCCSCC#N)C1)CCCC2 ZINC000432102880 338145719 /nfs/dbraw/zinc/14/57/19/338145719.db2.gz NFKCUGGFNSCQAH-HNNXBMFYSA-N 2 1 318.490 2.964 20 30 DFEDMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCCSCC#N)C1)CCCC2 ZINC000432102880 338145720 /nfs/dbraw/zinc/14/57/20/338145720.db2.gz NFKCUGGFNSCQAH-HNNXBMFYSA-N 2 1 318.490 2.964 20 30 DFEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCCSCC#N)C1)CCCC2 ZINC000432102881 338145732 /nfs/dbraw/zinc/14/57/32/338145732.db2.gz NFKCUGGFNSCQAH-OAHLLOKOSA-N 2 1 318.490 2.964 20 30 DFEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCCSCC#N)C1)CCCC2 ZINC000432102881 338145733 /nfs/dbraw/zinc/14/57/33/338145733.db2.gz NFKCUGGFNSCQAH-OAHLLOKOSA-N 2 1 318.490 2.964 20 30 DFEDMP C=CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999801 338358070 /nfs/dbraw/zinc/35/80/70/338358070.db2.gz NBGOZBQEWWLSMW-WOJBJXKFSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999801 338358071 /nfs/dbraw/zinc/35/80/71/338358071.db2.gz NBGOZBQEWWLSMW-WOJBJXKFSA-N 2 1 314.473 2.958 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984154 398377922 /nfs/dbraw/zinc/37/79/22/398377922.db2.gz GWFBXZPNIPXLLM-ZFWWWQNUSA-N 2 1 308.495 2.835 20 30 DFEDMP N#CC[C@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000592154186 398393382 /nfs/dbraw/zinc/39/33/82/398393382.db2.gz QZTKOGVLPDQPLD-IBGZPJMESA-N 2 1 313.445 2.523 20 30 DFEDMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000592376374 398418184 /nfs/dbraw/zinc/41/81/84/398418184.db2.gz HPLQZRXWTQLUJZ-UXHICEINSA-N 2 1 305.425 2.993 20 30 DFEDMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000331952637 234313586 /nfs/dbraw/zinc/31/35/86/234313586.db2.gz RDMKIXYHHIUUJW-KBXCAEBGSA-N 2 1 323.444 2.531 20 30 DFEDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C#N ZINC000174352064 198323380 /nfs/dbraw/zinc/32/33/80/198323380.db2.gz UBYMQJLVEDZYBU-INIZCTEOSA-N 2 1 301.434 2.777 20 30 DFEDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1C#N ZINC000174352064 198323381 /nfs/dbraw/zinc/32/33/81/198323381.db2.gz UBYMQJLVEDZYBU-INIZCTEOSA-N 2 1 301.434 2.777 20 30 DFEDMP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593943350 398706279 /nfs/dbraw/zinc/70/62/79/398706279.db2.gz MJZCVORAOLBTHL-OAHLLOKOSA-N 2 1 313.405 2.882 20 30 DFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598590110 398836509 /nfs/dbraw/zinc/83/65/09/398836509.db2.gz KFNSFOKPCSFGDU-QZTJIDSGSA-N 2 1 321.509 2.731 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595336419 398923459 /nfs/dbraw/zinc/92/34/59/398923459.db2.gz GBDKZXKMWNNZHD-IBGZPJMESA-N 2 1 315.461 2.533 20 30 DFEDMP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccco1 ZINC000283412900 335004355 /nfs/dbraw/zinc/00/43/55/335004355.db2.gz VVWHWLYLGIMEOB-UHFFFAOYSA-N 2 1 319.493 2.726 20 30 DFEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770409 193302928 /nfs/dbraw/zinc/30/29/28/193302928.db2.gz DCBAIBWCBMOFQG-SFHVURJKSA-N 2 1 300.446 2.862 20 30 DFEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000093770409 193302930 /nfs/dbraw/zinc/30/29/30/193302930.db2.gz DCBAIBWCBMOFQG-SFHVURJKSA-N 2 1 300.446 2.862 20 30 DFEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093770409 193302933 /nfs/dbraw/zinc/30/29/33/193302933.db2.gz DCBAIBWCBMOFQG-SFHVURJKSA-N 2 1 300.446 2.862 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093770409 193302934 /nfs/dbraw/zinc/30/29/34/193302934.db2.gz DCBAIBWCBMOFQG-SFHVURJKSA-N 2 1 300.446 2.862 20 30 DFEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908205 399130439 /nfs/dbraw/zinc/13/04/39/399130439.db2.gz ZUFSASSIWRTAOM-CRAIPNDOSA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908205 399130441 /nfs/dbraw/zinc/13/04/41/399130441.db2.gz ZUFSASSIWRTAOM-CRAIPNDOSA-N 2 1 301.434 2.662 20 30 DFEDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000618567994 399161642 /nfs/dbraw/zinc/16/16/42/399161642.db2.gz FXPVIRAGXLYLFK-RTBURBONSA-N 2 1 315.461 2.692 20 30 DFEDMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccnc(C#N)c3)C1)CCCC2 ZINC000614742726 399265341 /nfs/dbraw/zinc/26/53/41/399265341.db2.gz TTWVXFQSRGKHGQ-KRWDZBQOSA-N 2 1 321.428 2.784 20 30 DFEDMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccnc(C#N)c3)C1)CCCC2 ZINC000614742726 399265345 /nfs/dbraw/zinc/26/53/45/399265345.db2.gz TTWVXFQSRGKHGQ-KRWDZBQOSA-N 2 1 321.428 2.784 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000602504398 399462617 /nfs/dbraw/zinc/46/26/17/399462617.db2.gz QOWQRSXXSWRNEY-CVEARBPZSA-N 2 1 320.506 2.566 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602541147 399471434 /nfs/dbraw/zinc/47/14/34/399471434.db2.gz VEALSBVQUZGLGM-MRXNPFEDSA-N 2 1 305.466 2.715 20 30 DFEDMP N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611409706 399471471 /nfs/dbraw/zinc/47/14/71/399471471.db2.gz UIEGFCQBXNPBFV-IEBWSBKVSA-N 2 1 313.445 2.943 20 30 DFEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000156643665 197129645 /nfs/dbraw/zinc/12/96/45/197129645.db2.gz IMKBUWGDCLKCCD-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156643665 197129646 /nfs/dbraw/zinc/12/96/46/197129646.db2.gz IMKBUWGDCLKCCD-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156643665 197129648 /nfs/dbraw/zinc/12/96/48/197129648.db2.gz IMKBUWGDCLKCCD-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP C[C@H]1C[C@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000156636086 197129017 /nfs/dbraw/zinc/12/90/17/197129017.db2.gz CFTBPQBPCSRJBN-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]1C[C@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000156636086 197129019 /nfs/dbraw/zinc/12/90/19/197129019.db2.gz CFTBPQBPCSRJBN-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]1C[C@H]([N@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156636086 197129021 /nfs/dbraw/zinc/12/90/21/197129021.db2.gz CFTBPQBPCSRJBN-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]1C[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156636086 197129023 /nfs/dbraw/zinc/12/90/23/197129023.db2.gz CFTBPQBPCSRJBN-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP C[NH+]1CCC2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)CC1 ZINC000602877682 399611996 /nfs/dbraw/zinc/61/19/96/399611996.db2.gz JVCKHBQWZMKLFP-UHFFFAOYSA-N 2 1 305.466 2.505 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248281503 158167148 /nfs/dbraw/zinc/16/71/48/158167148.db2.gz VHTFNOGSKFBJER-QFBILLFUSA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248281503 158167151 /nfs/dbraw/zinc/16/71/51/158167151.db2.gz VHTFNOGSKFBJER-QFBILLFUSA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000248281503 158167155 /nfs/dbraw/zinc/16/71/55/158167155.db2.gz VHTFNOGSKFBJER-QFBILLFUSA-N 2 1 315.461 2.989 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290643703 335074248 /nfs/dbraw/zinc/07/42/48/335074248.db2.gz YPWMDUNDEINIGA-VQIMIIECSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290643703 335074249 /nfs/dbraw/zinc/07/42/49/335074249.db2.gz YPWMDUNDEINIGA-VQIMIIECSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290643703 335074250 /nfs/dbraw/zinc/07/42/50/335074250.db2.gz YPWMDUNDEINIGA-VQIMIIECSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290643703 335074251 /nfs/dbraw/zinc/07/42/51/335074251.db2.gz YPWMDUNDEINIGA-VQIMIIECSA-N 2 1 300.446 2.861 20 30 DFEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050271 544589156 /nfs/dbraw/zinc/58/91/56/544589156.db2.gz WVVKWTNRQQBLDN-AABGKKOBSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050271 544589159 /nfs/dbraw/zinc/58/91/59/544589159.db2.gz WVVKWTNRQQBLDN-AABGKKOBSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678050271 544589162 /nfs/dbraw/zinc/58/91/62/544589162.db2.gz WVVKWTNRQQBLDN-AABGKKOBSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678050271 544589165 /nfs/dbraw/zinc/58/91/65/544589165.db2.gz WVVKWTNRQQBLDN-AABGKKOBSA-N 2 1 314.473 2.910 20 30 DFEDMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1C#N ZINC000423129620 269769777 /nfs/dbraw/zinc/76/97/77/269769777.db2.gz XHAJMBSFDGFBJY-RDTXWAMCSA-N 2 1 309.413 2.615 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201805 266154753 /nfs/dbraw/zinc/15/47/53/266154753.db2.gz YAQARPZMVGIWMG-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201805 266154755 /nfs/dbraw/zinc/15/47/55/266154755.db2.gz YAQARPZMVGIWMG-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201805 266154759 /nfs/dbraw/zinc/15/47/59/266154759.db2.gz YAQARPZMVGIWMG-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201805 266154761 /nfs/dbraw/zinc/15/47/61/266154761.db2.gz YAQARPZMVGIWMG-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000125487899 425974791 /nfs/dbraw/zinc/97/47/91/425974791.db2.gz DAOIPKDOFDKPAJ-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000125487899 425974793 /nfs/dbraw/zinc/97/47/93/425974793.db2.gz DAOIPKDOFDKPAJ-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640621 426200843 /nfs/dbraw/zinc/20/08/43/426200843.db2.gz UUOSQMMCAFZRJU-MRXNPFEDSA-N 2 1 322.412 2.766 20 30 DFEDMP COc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1C#N ZINC000135102945 426205059 /nfs/dbraw/zinc/20/50/59/426205059.db2.gz XKONRASCDVEQTN-KRWDZBQOSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C#N ZINC000135102945 426205061 /nfs/dbraw/zinc/20/50/61/426205061.db2.gz XKONRASCDVEQTN-KRWDZBQOSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C#N ZINC000135102945 426205064 /nfs/dbraw/zinc/20/50/64/426205064.db2.gz XKONRASCDVEQTN-KRWDZBQOSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C#N ZINC000135102945 426205065 /nfs/dbraw/zinc/20/50/65/426205065.db2.gz XKONRASCDVEQTN-KRWDZBQOSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C#N ZINC000135102945 426205067 /nfs/dbraw/zinc/20/50/67/426205067.db2.gz XKONRASCDVEQTN-KRWDZBQOSA-N 2 1 301.434 2.873 20 30 DFEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398187 426236117 /nfs/dbraw/zinc/23/61/17/426236117.db2.gz WWDSQCGAPPNMQB-HOTGVXAUSA-N 2 1 315.461 2.644 20 30 DFEDMP C[C@@H]1C[C@@H](CNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000136868632 426246959 /nfs/dbraw/zinc/24/69/59/426246959.db2.gz SLOCJBJUUPIUEU-AEFFLSMTSA-N 2 1 314.477 2.698 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000264136470 426502276 /nfs/dbraw/zinc/50/22/76/426502276.db2.gz ZUYWHGGWWOBOED-CQSZACIVSA-N 2 1 304.438 2.542 20 30 DFEDMP CN(CCC#N)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264571842 426574249 /nfs/dbraw/zinc/57/42/49/426574249.db2.gz XDPLJIWHLMNOPI-RTBURBONSA-N 2 1 312.461 2.753 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264571842 426574258 /nfs/dbraw/zinc/57/42/58/426574258.db2.gz XDPLJIWHLMNOPI-RTBURBONSA-N 2 1 312.461 2.753 20 30 DFEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000264603547 426576121 /nfs/dbraw/zinc/57/61/21/426576121.db2.gz GIIZOMUIUFMQCS-UHFFFAOYSA-N 2 1 301.434 2.895 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000264603547 426576124 /nfs/dbraw/zinc/57/61/24/426576124.db2.gz GIIZOMUIUFMQCS-UHFFFAOYSA-N 2 1 301.434 2.895 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000178311801 426603150 /nfs/dbraw/zinc/60/31/50/426603150.db2.gz KUMNSQGDGGGIMJ-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000178311801 426603155 /nfs/dbraw/zinc/60/31/55/426603155.db2.gz KUMNSQGDGGGIMJ-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP C#CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000274139149 426718024 /nfs/dbraw/zinc/71/80/24/426718024.db2.gz QNIHOHNFFMYUEK-UHFFFAOYSA-N 2 1 311.473 2.815 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000266850718 426786639 /nfs/dbraw/zinc/78/66/39/426786639.db2.gz DDAGNXRFBFIIFI-MAUKXSAKSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000266850718 426786641 /nfs/dbraw/zinc/78/66/41/426786641.db2.gz DDAGNXRFBFIIFI-MAUKXSAKSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000266850718 426786647 /nfs/dbraw/zinc/78/66/47/426786647.db2.gz DDAGNXRFBFIIFI-MAUKXSAKSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239962 426861332 /nfs/dbraw/zinc/86/13/32/426861332.db2.gz JADFHMBGUQISNS-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239962 426861335 /nfs/dbraw/zinc/86/13/35/426861335.db2.gz JADFHMBGUQISNS-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239962 426861341 /nfs/dbraw/zinc/86/13/41/426861341.db2.gz JADFHMBGUQISNS-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239962 426861346 /nfs/dbraw/zinc/86/13/46/426861346.db2.gz JADFHMBGUQISNS-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000277323653 427164443 /nfs/dbraw/zinc/16/44/43/427164443.db2.gz VDYRQESVHCISDA-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000285786706 427337548 /nfs/dbraw/zinc/33/75/48/427337548.db2.gz UKZIRGLYTLTTSX-QGZVFWFLSA-N 2 1 324.472 2.601 20 30 DFEDMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccccc2C#N)CC1 ZINC000263707571 427547727 /nfs/dbraw/zinc/54/77/27/427547727.db2.gz MLLMUEVWWPXCIA-UHFFFAOYSA-N 2 1 301.434 2.742 20 30 DFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000263707571 427547733 /nfs/dbraw/zinc/54/77/33/427547733.db2.gz MLLMUEVWWPXCIA-UHFFFAOYSA-N 2 1 301.434 2.742 20 30 DFEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271518496 427568459 /nfs/dbraw/zinc/56/84/59/427568459.db2.gz QBQAVRURMLUBFY-AEFFLSMTSA-N 2 1 302.487 2.853 20 30 DFEDMP COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1C#N ZINC000185292605 427630935 /nfs/dbraw/zinc/63/09/35/427630935.db2.gz LAYZBAZYBICYDD-UHFFFAOYSA-N 2 1 301.434 2.778 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264101619 427659208 /nfs/dbraw/zinc/65/92/08/427659208.db2.gz OGXSFWARCLGMLG-AWEZNQCLSA-N 2 1 308.495 2.617 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264110330 427662064 /nfs/dbraw/zinc/66/20/64/427662064.db2.gz OPJXVTKMMYIFBK-INIZCTEOSA-N 2 1 318.465 2.537 20 30 DFEDMP C=CCOCC[NH+]1CCCC2(CCC[N@H+](CCOCC=C)C2)C1 ZINC000339201028 427729772 /nfs/dbraw/zinc/72/97/72/427729772.db2.gz HXPJNDMFGXWHML-UHFFFAOYSA-N 2 1 322.493 2.570 20 30 DFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)CC[C@H]1CCCC[NH+]1C ZINC000337135291 427803771 /nfs/dbraw/zinc/80/37/71/427803771.db2.gz BTVMNOFZLWHIPE-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+](CCCC1(C#N)CCOCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000337135291 427803772 /nfs/dbraw/zinc/80/37/72/427803772.db2.gz BTVMNOFZLWHIPE-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+](CCCC1(C#N)CCOCC1)CC[C@H]1CCCC[N@H+]1C ZINC000337135291 427803774 /nfs/dbraw/zinc/80/37/74/427803774.db2.gz BTVMNOFZLWHIPE-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000337170416 427808376 /nfs/dbraw/zinc/80/83/76/427808376.db2.gz CTSJPLAOJQIFRW-IRXDYDNUSA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000337170416 427808378 /nfs/dbraw/zinc/80/83/78/427808378.db2.gz CTSJPLAOJQIFRW-IRXDYDNUSA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000337170416 427808381 /nfs/dbraw/zinc/80/83/81/427808381.db2.gz CTSJPLAOJQIFRW-IRXDYDNUSA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337189286 427812233 /nfs/dbraw/zinc/81/22/33/427812233.db2.gz RBGRSTFCBSQKEZ-KRWDZBQOSA-N 2 1 307.482 2.751 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2cccc(OC)n2)CC1 ZINC000341204193 428011816 /nfs/dbraw/zinc/01/18/16/428011816.db2.gz JETPXVSPHWXEHI-OAHLLOKOSA-N 2 1 303.450 2.651 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000356835849 428330866 /nfs/dbraw/zinc/33/08/66/428330866.db2.gz CRCXMGXBZYZUIB-MTQWCTHYSA-N 2 1 314.473 2.671 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1O ZINC000347046587 428422917 /nfs/dbraw/zinc/42/29/17/428422917.db2.gz OTJVBLVYYIMVDN-BBRMVZONSA-N 2 1 304.434 2.689 20 30 DFEDMP C[N@H+](CCC[NH+]1CCCCC1)CCOCc1ccc(C#N)cc1 ZINC000344122420 428624334 /nfs/dbraw/zinc/62/43/34/428624334.db2.gz SUSXXOZRSMHBPQ-UHFFFAOYSA-N 2 1 315.461 2.883 20 30 DFEDMP C[N@@H+](CCC[NH+]1CCCCC1)CCOCc1ccc(C#N)cc1 ZINC000344122420 428624340 /nfs/dbraw/zinc/62/43/40/428624340.db2.gz SUSXXOZRSMHBPQ-UHFFFAOYSA-N 2 1 315.461 2.883 20 30 DFEDMP C=C(CC)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358849688 428704233 /nfs/dbraw/zinc/70/42/33/428704233.db2.gz AOALAZGYLVOBRE-IAGOWNOFSA-N 2 1 310.482 2.543 20 30 DFEDMP CCN1CCC[C@@H](C[N@@H+](C)[C@@H](C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000411585935 428820291 /nfs/dbraw/zinc/82/02/91/428820291.db2.gz UKLBOKBKFWFWFU-XYJFISCASA-N 2 1 317.481 2.817 20 30 DFEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCCC(C)(C)C#N)CC2)CC1 ZINC000420973335 428973962 /nfs/dbraw/zinc/97/39/62/428973962.db2.gz BZOGKBMGSGZJCR-UHFFFAOYSA-N 2 1 320.525 2.808 20 30 DFEDMP Cn1cc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1C#N ZINC000365238488 429283844 /nfs/dbraw/zinc/28/38/44/429283844.db2.gz AABBOKMZMMTYRQ-INIZCTEOSA-N 2 1 312.461 2.593 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442927608 429241334 /nfs/dbraw/zinc/24/13/34/429241334.db2.gz OHRWDRSZONHSBT-HNNXBMFYSA-N 2 1 304.434 2.821 20 30 DFEDMP Cn1ccnc1[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000365623397 429352432 /nfs/dbraw/zinc/35/24/32/429352432.db2.gz KFUHUSFGJSQIDZ-INIZCTEOSA-N 2 1 310.401 2.550 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449694543 429481853 /nfs/dbraw/zinc/48/18/53/429481853.db2.gz BYYXLBMBDFEJKA-BHIYHBOVSA-N 2 1 302.462 2.814 20 30 DFEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCC(C)(C)C#N ZINC000369350896 429928580 /nfs/dbraw/zinc/92/85/80/429928580.db2.gz XSEHAJOVHKZSBQ-ZACQAIPSSA-N 2 1 307.482 2.890 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000571073764 430602268 /nfs/dbraw/zinc/60/22/68/430602268.db2.gz BAKCFMZVWQKJKI-UHFFFAOYSA-N 2 1 301.434 2.645 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644548905 430749600 /nfs/dbraw/zinc/74/96/00/430749600.db2.gz CZTPLEHMURBUBN-UHFFFAOYSA-N 2 1 319.424 2.784 20 30 DFEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657873320 430758795 /nfs/dbraw/zinc/75/87/95/430758795.db2.gz WQVCJUNLMRPUMV-OALUTQOASA-N 2 1 307.526 2.985 20 30 DFEDMP C=CCC1([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000661849445 430865573 /nfs/dbraw/zinc/86/55/73/430865573.db2.gz VNIVBXROCYTBMO-SFHVURJKSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CCC1([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000661849445 430865576 /nfs/dbraw/zinc/86/55/76/430865576.db2.gz VNIVBXROCYTBMO-SFHVURJKSA-N 2 1 302.462 2.958 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603517 431191753 /nfs/dbraw/zinc/19/17/53/431191753.db2.gz RDBHAUDNTPUACO-DOTOQJQBSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603517 431191759 /nfs/dbraw/zinc/19/17/59/431191759.db2.gz RDBHAUDNTPUACO-DOTOQJQBSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603517 431191766 /nfs/dbraw/zinc/19/17/66/431191766.db2.gz RDBHAUDNTPUACO-DOTOQJQBSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603517 431191773 /nfs/dbraw/zinc/19/17/73/431191773.db2.gz RDBHAUDNTPUACO-DOTOQJQBSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603518 431191985 /nfs/dbraw/zinc/19/19/85/431191985.db2.gz RDBHAUDNTPUACO-NVXWUHKLSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603518 431191994 /nfs/dbraw/zinc/19/19/94/431191994.db2.gz RDBHAUDNTPUACO-NVXWUHKLSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603518 431191995 /nfs/dbraw/zinc/19/19/95/431191995.db2.gz RDBHAUDNTPUACO-NVXWUHKLSA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603518 431192002 /nfs/dbraw/zinc/19/20/02/431192002.db2.gz RDBHAUDNTPUACO-NVXWUHKLSA-N 2 1 308.491 2.747 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180996501 333166562 /nfs/dbraw/zinc/16/65/62/333166562.db2.gz ZIYRDENRZUVVPK-SFHVURJKSA-N 2 1 315.461 2.673 20 30 DFEDMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000185886637 333215590 /nfs/dbraw/zinc/21/55/90/333215590.db2.gz SOKALYOQHOZVKZ-DOTOQJQBSA-N 2 1 313.449 2.734 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000497195810 333220265 /nfs/dbraw/zinc/22/02/65/333220265.db2.gz JZTUZCZZCHNZHL-UHFFFAOYSA-N 2 1 311.470 2.531 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000295102917 335132093 /nfs/dbraw/zinc/13/20/93/335132093.db2.gz WGIHDKQVUSOHGZ-GOSISDBHSA-N 2 1 306.425 2.838 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000295102917 335132095 /nfs/dbraw/zinc/13/20/95/335132095.db2.gz WGIHDKQVUSOHGZ-GOSISDBHSA-N 2 1 306.425 2.838 20 30 DFEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)N(C)C ZINC000262160697 333848715 /nfs/dbraw/zinc/84/87/15/333848715.db2.gz CCFVCBBMAWEJIJ-CQSZACIVSA-N 2 1 308.495 2.658 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264130078 333952927 /nfs/dbraw/zinc/95/29/27/333952927.db2.gz SYKLUODMAMPOJO-QGZVFWFLSA-N 2 1 318.465 2.537 20 30 DFEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684276 334068379 /nfs/dbraw/zinc/06/83/79/334068379.db2.gz CYRLGOGFRWGYIE-ZBFHGGJFSA-N 2 1 303.406 2.971 20 30 DFEDMP N#CCSCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280243513 334115819 /nfs/dbraw/zinc/11/58/19/334115819.db2.gz BRKWHWBUFQUFAM-HDICACEKSA-N 2 1 315.486 2.697 20 30 DFEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280243513 334115821 /nfs/dbraw/zinc/11/58/21/334115821.db2.gz BRKWHWBUFQUFAM-HDICACEKSA-N 2 1 315.486 2.697 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000340286233 334161088 /nfs/dbraw/zinc/16/10/88/334161088.db2.gz PEIQVSNYJAEJKF-MSOLQXFVSA-N 2 1 307.482 2.749 20 30 DFEDMP N#CCCOCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293539364 334198889 /nfs/dbraw/zinc/19/88/89/334198889.db2.gz KBVWSPNPVZJZLX-LJQANCHMSA-N 2 1 313.445 2.515 20 30 DFEDMP N#CCCOCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293539364 334198892 /nfs/dbraw/zinc/19/88/92/334198892.db2.gz KBVWSPNPVZJZLX-LJQANCHMSA-N 2 1 313.445 2.515 20 30 DFEDMP N#CCCOCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293539364 334198893 /nfs/dbraw/zinc/19/88/93/334198893.db2.gz KBVWSPNPVZJZLX-LJQANCHMSA-N 2 1 313.445 2.515 20 30 DFEDMP N#CCCOCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293539364 334198895 /nfs/dbraw/zinc/19/88/95/334198895.db2.gz KBVWSPNPVZJZLX-LJQANCHMSA-N 2 1 313.445 2.515 20 30 DFEDMP C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC ZINC000121007981 334340903 /nfs/dbraw/zinc/34/09/03/334340903.db2.gz MGBDFRQACCNYJO-MRXNPFEDSA-N 2 1 304.434 2.644 20 30 DFEDMP C=CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000121007981 334340904 /nfs/dbraw/zinc/34/09/04/334340904.db2.gz MGBDFRQACCNYJO-MRXNPFEDSA-N 2 1 304.434 2.644 20 30 DFEDMP C=CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000121007981 334340905 /nfs/dbraw/zinc/34/09/05/334340905.db2.gz MGBDFRQACCNYJO-MRXNPFEDSA-N 2 1 304.434 2.644 20 30 DFEDMP N#CC1(CCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CCOCC1 ZINC000366847444 335199459 /nfs/dbraw/zinc/19/94/59/335199459.db2.gz SFLFWTLIOBWRJO-HNNXBMFYSA-N 2 1 302.422 2.690 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC000329520866 335988908 /nfs/dbraw/zinc/98/89/08/335988908.db2.gz OPIJVOAYYKVZEH-ZNMIVQPWSA-N 2 1 304.438 2.583 20 30 DFEDMP C=C(C)CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351731728 336063268 /nfs/dbraw/zinc/06/32/68/336063268.db2.gz OOBSHIAGQTWLOX-IRXDYDNUSA-N 2 1 310.482 2.543 20 30 DFEDMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000329822655 336086254 /nfs/dbraw/zinc/08/62/54/336086254.db2.gz HGZQQNYLOHIXOR-UKRRQHHQSA-N 2 1 304.438 2.836 20 30 DFEDMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000329822655 336086256 /nfs/dbraw/zinc/08/62/56/336086256.db2.gz HGZQQNYLOHIXOR-UKRRQHHQSA-N 2 1 304.438 2.836 20 30 DFEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)NC1CCCC1 ZINC000103905696 336383175 /nfs/dbraw/zinc/38/31/75/336383175.db2.gz LOIHZSWHAZLHEK-MRXNPFEDSA-N 2 1 318.465 2.833 20 30 DFEDMP CCC[N@@H+](CCC#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114477336 337391625 /nfs/dbraw/zinc/39/16/25/337391625.db2.gz HKYIFPWTMDKVJM-UHFFFAOYSA-N 2 1 301.438 2.688 20 30 DFEDMP CCC[N@@H+](CCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477336 337391627 /nfs/dbraw/zinc/39/16/27/337391627.db2.gz HKYIFPWTMDKVJM-UHFFFAOYSA-N 2 1 301.438 2.688 20 30 DFEDMP CN(c1ccccc1C[NH2+]CC1(C#N)CC1)C1CC[NH+](C)CC1 ZINC000580751308 398385190 /nfs/dbraw/zinc/38/51/90/398385190.db2.gz QBJPZQXXYAJVLG-UHFFFAOYSA-N 2 1 312.461 2.610 20 30 DFEDMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433635 398425714 /nfs/dbraw/zinc/42/57/14/398425714.db2.gz MQKXXHCIRAUAFF-ZWKOTPCHSA-N 2 1 313.445 2.778 20 30 DFEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727050 398442671 /nfs/dbraw/zinc/44/26/71/398442671.db2.gz BAAXKFZNVYSLTL-AEFFLSMTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727050 398442675 /nfs/dbraw/zinc/44/26/75/398442675.db2.gz BAAXKFZNVYSLTL-AEFFLSMTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000585727050 398442678 /nfs/dbraw/zinc/44/26/78/398442678.db2.gz BAAXKFZNVYSLTL-AEFFLSMTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000585727050 398442683 /nfs/dbraw/zinc/44/26/83/398442683.db2.gz BAAXKFZNVYSLTL-AEFFLSMTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010596 530065366 /nfs/dbraw/zinc/06/53/66/530065366.db2.gz PQOWKLLRRFYXDA-IBGZPJMESA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010596 530065367 /nfs/dbraw/zinc/06/53/67/530065367.db2.gz PQOWKLLRRFYXDA-IBGZPJMESA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000293010596 530065368 /nfs/dbraw/zinc/06/53/68/530065368.db2.gz PQOWKLLRRFYXDA-IBGZPJMESA-N 2 1 313.445 2.745 20 30 DFEDMP C=CCN1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000337178689 398575581 /nfs/dbraw/zinc/57/55/81/398575581.db2.gz KNIZPOWJCIHARU-KDOFPFPSSA-N 2 1 324.428 2.618 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000093091273 398619099 /nfs/dbraw/zinc/61/90/99/398619099.db2.gz YENBONURWAYVPY-UHFFFAOYSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091273 398619102 /nfs/dbraw/zinc/61/91/02/398619102.db2.gz YENBONURWAYVPY-UHFFFAOYSA-N 2 1 301.434 2.753 20 30 DFEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879795 198264045 /nfs/dbraw/zinc/26/40/45/198264045.db2.gz INVOFKNZURNRAY-QGZVFWFLSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879795 198264047 /nfs/dbraw/zinc/26/40/47/198264047.db2.gz INVOFKNZURNRAY-QGZVFWFLSA-N 2 1 313.445 2.745 20 30 DFEDMP Cc1nc2c(n1[C@H]1CC[N@H+](Cc3cc(C#N)n(C)c3)C1)CCCC2 ZINC000276802360 213106400 /nfs/dbraw/zinc/10/64/00/213106400.db2.gz VUMUYZKMBQIXHU-INIZCTEOSA-N 2 1 323.444 2.728 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000052208902 398835739 /nfs/dbraw/zinc/83/57/39/398835739.db2.gz YOTIKBAJBPUANL-UHFFFAOYSA-N 2 1 323.525 2.855 20 30 DFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598720186 398861090 /nfs/dbraw/zinc/86/10/90/398861090.db2.gz LNPUKCRAVSQNQG-KRWDZBQOSA-N 2 1 303.450 2.529 20 30 DFEDMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000595500892 398951027 /nfs/dbraw/zinc/95/10/27/398951027.db2.gz GJYPRJHOJSZLNC-ROUUACIJSA-N 2 1 303.450 2.712 20 30 DFEDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000595500892 398951028 /nfs/dbraw/zinc/95/10/28/398951028.db2.gz GJYPRJHOJSZLNC-ROUUACIJSA-N 2 1 303.450 2.712 20 30 DFEDMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000599334484 398955461 /nfs/dbraw/zinc/95/54/61/398955461.db2.gz FYHZXIKSKMLNRU-IPMKNSEASA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000599334484 398955462 /nfs/dbraw/zinc/95/54/62/398955462.db2.gz FYHZXIKSKMLNRU-IPMKNSEASA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C#N ZINC000600707591 399120347 /nfs/dbraw/zinc/12/03/47/399120347.db2.gz BWSJDUYSHBZEOJ-OTWHNJEPSA-N 2 1 313.445 2.728 20 30 DFEDMP N#Cc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600721270 399124148 /nfs/dbraw/zinc/12/41/48/399124148.db2.gz KQKWDZRXVAVUFW-GJZGRUSLSA-N 2 1 311.351 2.560 20 30 DFEDMP C#CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770410 193304296 /nfs/dbraw/zinc/30/42/96/193304296.db2.gz DCBAIBWCBMOFQG-GOSISDBHSA-N 2 1 300.446 2.862 20 30 DFEDMP C#CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000093770410 193304297 /nfs/dbraw/zinc/30/42/97/193304297.db2.gz DCBAIBWCBMOFQG-GOSISDBHSA-N 2 1 300.446 2.862 20 30 DFEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093770410 193304299 /nfs/dbraw/zinc/30/42/99/193304299.db2.gz DCBAIBWCBMOFQG-GOSISDBHSA-N 2 1 300.446 2.862 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093770410 193304301 /nfs/dbraw/zinc/30/43/01/193304301.db2.gz DCBAIBWCBMOFQG-GOSISDBHSA-N 2 1 300.446 2.862 20 30 DFEDMP C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726695 399126785 /nfs/dbraw/zinc/12/67/85/399126785.db2.gz GSKONVXZGJCVSD-FUHWJXTLSA-N 2 1 315.461 2.541 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907512 399130259 /nfs/dbraw/zinc/13/02/59/399130259.db2.gz WNEIDRSCZXYPRX-CRAIPNDOSA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907512 399130264 /nfs/dbraw/zinc/13/02/64/399130264.db2.gz WNEIDRSCZXYPRX-CRAIPNDOSA-N 2 1 301.434 2.662 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596058857 399157464 /nfs/dbraw/zinc/15/74/64/399157464.db2.gz KLJAZBWDPJZJOO-INIZCTEOSA-N 2 1 301.409 2.909 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596058857 399157465 /nfs/dbraw/zinc/15/74/65/399157465.db2.gz KLJAZBWDPJZJOO-INIZCTEOSA-N 2 1 301.409 2.909 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000619516672 399356648 /nfs/dbraw/zinc/35/66/48/399356648.db2.gz NUKHHUIOHRHHFM-UHFFFAOYSA-N 2 1 322.412 2.593 20 30 DFEDMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000105875503 194153914 /nfs/dbraw/zinc/15/39/14/194153914.db2.gz PJLVTNBICBTKQG-UHFFFAOYSA-N 2 1 324.428 2.625 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C2)nc(C)[nH+]1 ZINC000602540023 399470940 /nfs/dbraw/zinc/47/09/40/399470940.db2.gz IRXJMMBUWABXKE-BBRMVZONSA-N 2 1 301.438 2.592 20 30 DFEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544004 399471447 /nfs/dbraw/zinc/47/14/47/399471447.db2.gz GRKVKEFCCCTQEI-SJORKVTESA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000156636209 197128762 /nfs/dbraw/zinc/12/87/62/197128762.db2.gz CFTBPQBPCSRJBN-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000156636209 197128763 /nfs/dbraw/zinc/12/87/63/197128763.db2.gz CFTBPQBPCSRJBN-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@@H]1C[C@@H]([N@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156636209 197128764 /nfs/dbraw/zinc/12/87/64/197128764.db2.gz CFTBPQBPCSRJBN-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156636209 197128765 /nfs/dbraw/zinc/12/87/65/197128765.db2.gz CFTBPQBPCSRJBN-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP COc1cc(C#N)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000120877592 195255984 /nfs/dbraw/zinc/25/59/84/195255984.db2.gz FXWVOTRSFLNQTQ-UHFFFAOYSA-N 2 1 324.428 2.755 20 30 DFEDMP CC[NH+](CC)CCC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906976 399622240 /nfs/dbraw/zinc/62/22/40/399622240.db2.gz JOAYOCAJQDQHOH-UHFFFAOYSA-N 2 1 300.450 2.865 20 30 DFEDMP C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617503316 399720324 /nfs/dbraw/zinc/72/03/24/399720324.db2.gz DPVQPDBECPNXLC-INIZCTEOSA-N 2 1 309.498 2.511 20 30 DFEDMP C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617503316 399720320 /nfs/dbraw/zinc/72/03/20/399720320.db2.gz DPVQPDBECPNXLC-INIZCTEOSA-N 2 1 309.498 2.511 20 30 DFEDMP C=C(C)[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)c(F)c1 ZINC000289573380 335064448 /nfs/dbraw/zinc/06/44/48/335064448.db2.gz QQTLFNLWQQDHJR-RHSMWYFYSA-N 2 1 310.388 2.627 20 30 DFEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358086709 148237825 /nfs/dbraw/zinc/23/78/25/148237825.db2.gz OJKZECGMRJIBGS-YOEHRIQHSA-N 2 1 303.475 2.721 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000247319145 158129350 /nfs/dbraw/zinc/12/93/50/158129350.db2.gz LALLVSVHJNEIPU-WMLDXEAASA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000247319145 158129352 /nfs/dbraw/zinc/12/93/52/158129352.db2.gz LALLVSVHJNEIPU-WMLDXEAASA-N 2 1 321.490 2.846 20 30 DFEDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(OC)c1 ZINC000349407580 266123916 /nfs/dbraw/zinc/12/39/16/266123916.db2.gz OKMWCVIRXLGIQO-UHFFFAOYSA-N 2 1 301.434 2.875 20 30 DFEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(OC)c1 ZINC000349407580 266123920 /nfs/dbraw/zinc/12/39/20/266123920.db2.gz OKMWCVIRXLGIQO-UHFFFAOYSA-N 2 1 301.434 2.875 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201807 266153410 /nfs/dbraw/zinc/15/34/10/266153410.db2.gz YAQARPZMVGIWMG-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201807 266153416 /nfs/dbraw/zinc/15/34/16/266153416.db2.gz YAQARPZMVGIWMG-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201807 266153419 /nfs/dbraw/zinc/15/34/19/266153419.db2.gz YAQARPZMVGIWMG-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201807 266153425 /nfs/dbraw/zinc/15/34/25/266153425.db2.gz YAQARPZMVGIWMG-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171640626 426201511 /nfs/dbraw/zinc/20/15/11/426201511.db2.gz UUOSQMMCAFZRJU-INIZCTEOSA-N 2 1 322.412 2.766 20 30 DFEDMP C[N@@H+](CCC(C)(C)C#N)C1CCN(CCc2ccccn2)CC1 ZINC000131776084 426167803 /nfs/dbraw/zinc/16/78/03/426167803.db2.gz KXHRAYAUJRPNIT-UHFFFAOYSA-N 2 1 314.477 2.960 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096454 426220337 /nfs/dbraw/zinc/22/03/37/426220337.db2.gz IXGKTOMWOLHXGS-QAPCUYQASA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096454 426220341 /nfs/dbraw/zinc/22/03/41/426220341.db2.gz IXGKTOMWOLHXGS-QAPCUYQASA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000081096454 426220345 /nfs/dbraw/zinc/22/03/45/426220345.db2.gz IXGKTOMWOLHXGS-QAPCUYQASA-N 2 1 301.434 2.599 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000186193824 426492712 /nfs/dbraw/zinc/49/27/12/426492712.db2.gz ONEICNKMHDBXCP-CVEARBPZSA-N 2 1 313.445 2.804 20 30 DFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863613 426786382 /nfs/dbraw/zinc/78/63/82/426786382.db2.gz LIPIWELVVDZAHW-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863613 426786386 /nfs/dbraw/zinc/78/63/86/426786386.db2.gz LIPIWELVVDZAHW-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863613 426786390 /nfs/dbraw/zinc/78/63/90/426786390.db2.gz LIPIWELVVDZAHW-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863613 426786394 /nfs/dbraw/zinc/78/63/94/426786394.db2.gz LIPIWELVVDZAHW-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1C#N ZINC000281761593 426760971 /nfs/dbraw/zinc/76/09/71/426760971.db2.gz RSTRLNYYXLPAJD-UHFFFAOYSA-N 2 1 301.434 2.778 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCCC1 ZINC000261890495 427344856 /nfs/dbraw/zinc/34/48/56/427344856.db2.gz SZAHIXLXPAWLGN-AWEZNQCLSA-N 2 1 320.506 2.807 20 30 DFEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1ccc(Cl)cc1 ZINC000262520992 427361671 /nfs/dbraw/zinc/36/16/71/427361671.db2.gz FAOMJYUWAWWKTO-UHFFFAOYSA-N 2 1 319.840 2.552 20 30 DFEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000262673949 427367407 /nfs/dbraw/zinc/36/74/07/427367407.db2.gz SHTJZLPLLKTKPX-OWCLPIDISA-N 2 1 314.477 2.602 20 30 DFEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271518497 427568222 /nfs/dbraw/zinc/56/82/22/427568222.db2.gz QBQAVRURMLUBFY-FUHWJXTLSA-N 2 1 302.487 2.853 20 30 DFEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271527505 427573104 /nfs/dbraw/zinc/57/31/04/427573104.db2.gz RJZMIVHQSUVPQS-SJLPKXTDSA-N 2 1 302.487 2.996 20 30 DFEDMP C#CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271527505 427573113 /nfs/dbraw/zinc/57/31/13/427573113.db2.gz RJZMIVHQSUVPQS-SJLPKXTDSA-N 2 1 302.487 2.996 20 30 DFEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271527494 427573457 /nfs/dbraw/zinc/57/34/57/427573457.db2.gz RJZMIVHQSUVPQS-AEFFLSMTSA-N 2 1 302.487 2.996 20 30 DFEDMP C#CCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000271527494 427573464 /nfs/dbraw/zinc/57/34/64/427573464.db2.gz RJZMIVHQSUVPQS-AEFFLSMTSA-N 2 1 302.487 2.996 20 30 DFEDMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1Cl ZINC000369614674 428016505 /nfs/dbraw/zinc/01/65/05/428016505.db2.gz GXJSWSKXZJXVAZ-QEJZJMRPSA-N 2 1 319.836 2.725 20 30 DFEDMP C=CCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360244665 428219471 /nfs/dbraw/zinc/21/94/71/428219471.db2.gz DYTJHXHEXSKBFS-OALUTQOASA-N 2 1 302.462 2.958 20 30 DFEDMP C=CCC[C@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360244665 428219476 /nfs/dbraw/zinc/21/94/76/428219476.db2.gz DYTJHXHEXSKBFS-OALUTQOASA-N 2 1 302.462 2.958 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000341890222 428244115 /nfs/dbraw/zinc/24/41/15/428244115.db2.gz SZVTZCUHEAJHGM-NZSAHSFTSA-N 2 1 302.462 2.671 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362032972 428610304 /nfs/dbraw/zinc/61/03/04/428610304.db2.gz RFZVCBOXKLEPRD-NNIGNNQHSA-N 2 1 319.493 2.936 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348121820 428638912 /nfs/dbraw/zinc/63/89/12/428638912.db2.gz RRVFNAPWCORYMK-ZIAGYGMSSA-N 2 1 306.372 2.726 20 30 DFEDMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411237007 428764188 /nfs/dbraw/zinc/76/41/88/428764188.db2.gz FXKSAOPADQAXGK-INIZCTEOSA-N 2 1 307.482 2.628 20 30 DFEDMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411237007 428764190 /nfs/dbraw/zinc/76/41/90/428764190.db2.gz FXKSAOPADQAXGK-INIZCTEOSA-N 2 1 307.482 2.628 20 30 DFEDMP CCNC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1)=[NH+]CC ZINC000363588680 428947879 /nfs/dbraw/zinc/94/78/79/428947879.db2.gz PAKBYVARXDIQTL-HOCLYGCPSA-N 2 1 322.884 2.908 20 30 DFEDMP CC[NH+]1CCC(N2CCC[N@@H+](CC(C)(C)CCC#N)CC2)CC1 ZINC000421371246 428991195 /nfs/dbraw/zinc/99/11/95/428991195.db2.gz JIBDQDKJTFLCQI-UHFFFAOYSA-N 2 1 320.525 2.808 20 30 DFEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCOc1cccc(C#N)c1 ZINC000452092886 429054489 /nfs/dbraw/zinc/05/44/89/429054489.db2.gz FJLDBAIUKLJXKS-UHFFFAOYSA-N 2 1 301.434 2.791 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000423510067 429103323 /nfs/dbraw/zinc/10/33/23/429103323.db2.gz RYNTVUYDFZUXOG-IBGZPJMESA-N 2 1 312.461 2.634 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000365244064 429285938 /nfs/dbraw/zinc/28/59/38/429285938.db2.gz RZJPPQFOHYCNJW-OAHLLOKOSA-N 2 1 309.417 2.534 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000365244064 429285943 /nfs/dbraw/zinc/28/59/43/429285943.db2.gz RZJPPQFOHYCNJW-OAHLLOKOSA-N 2 1 309.417 2.534 20 30 DFEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849146 429525469 /nfs/dbraw/zinc/52/54/69/429525469.db2.gz MLHQHFNCJLYUMQ-SFHVURJKSA-N 2 1 319.493 2.550 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420515 429822004 /nfs/dbraw/zinc/82/20/04/429822004.db2.gz KPHWULIENOEQDU-HZPDHXFCSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420515 429822008 /nfs/dbraw/zinc/82/20/08/429822008.db2.gz KPHWULIENOEQDU-HZPDHXFCSA-N 2 1 301.434 2.710 20 30 DFEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000528375091 429881984 /nfs/dbraw/zinc/88/19/84/429881984.db2.gz ZAYHTFJQPAWUGE-ZWKOTPCHSA-N 2 1 319.493 2.629 20 30 DFEDMP C=CCC(CC=C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532080097 430150978 /nfs/dbraw/zinc/15/09/78/430150978.db2.gz SCNIXFIZYIFGKG-UHFFFAOYSA-N 2 1 314.433 2.540 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638524333 430366063 /nfs/dbraw/zinc/36/60/63/430366063.db2.gz LTTPVPWFUMYVRD-OAHLLOKOSA-N 2 1 303.450 2.651 20 30 DFEDMP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641804821 430477759 /nfs/dbraw/zinc/47/77/59/430477759.db2.gz KFIOSCCCQQKWMP-CABCVRRESA-N 2 1 319.474 2.619 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000645007549 430888827 /nfs/dbraw/zinc/88/88/27/430888827.db2.gz XSCXFMANCMHSIB-IBGZPJMESA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655767084 431124437 /nfs/dbraw/zinc/12/44/37/431124437.db2.gz PFXPVWXCVUWICD-SFHVURJKSA-N 2 1 316.445 2.594 20 30 DFEDMP C=CCOc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071596 431808114 /nfs/dbraw/zinc/80/81/14/431808114.db2.gz JXSSJFODAKGPSE-UHFFFAOYSA-N 2 1 316.445 2.548 20 30 DFEDMP C=CCOc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071596 431808119 /nfs/dbraw/zinc/80/81/19/431808119.db2.gz JXSSJFODAKGPSE-UHFFFAOYSA-N 2 1 316.445 2.548 20 30 DFEDMP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000661381233 431838170 /nfs/dbraw/zinc/83/81/70/431838170.db2.gz YCGPOUZAMAPOJD-HKUYNNGSSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000661381233 431838172 /nfs/dbraw/zinc/83/81/72/431838172.db2.gz YCGPOUZAMAPOJD-HKUYNNGSSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381233 431838173 /nfs/dbraw/zinc/83/81/73/431838173.db2.gz YCGPOUZAMAPOJD-HKUYNNGSSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381233 431838175 /nfs/dbraw/zinc/83/81/75/431838175.db2.gz YCGPOUZAMAPOJD-HKUYNNGSSA-N 2 1 302.462 2.767 20 30 DFEDMP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000563357964 302066281 /nfs/dbraw/zinc/06/62/81/302066281.db2.gz VEEIWTGDLNSVJM-UHFFFAOYSA-N 2 1 324.428 2.768 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000237822527 332392731 /nfs/dbraw/zinc/39/27/31/332392731.db2.gz XVHAQOMNDNGPDI-KRWDZBQOSA-N 2 1 313.445 2.943 20 30 DFEDMP CCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264103973 333952254 /nfs/dbraw/zinc/95/22/54/333952254.db2.gz NFWFFDJRGSJVDY-QGZVFWFLSA-N 2 1 318.465 2.537 20 30 DFEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273379694 334046098 /nfs/dbraw/zinc/04/60/98/334046098.db2.gz XDUYMHXAPUKJTI-HNNXBMFYSA-N 2 1 314.477 2.970 20 30 DFEDMP CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366848944 335198105 /nfs/dbraw/zinc/19/81/05/335198105.db2.gz GOMZUFFUQVDGDT-SJORKVTESA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848944 335198106 /nfs/dbraw/zinc/19/81/06/335198106.db2.gz GOMZUFFUQVDGDT-SJORKVTESA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848944 335198107 /nfs/dbraw/zinc/19/81/07/335198107.db2.gz GOMZUFFUQVDGDT-SJORKVTESA-N 2 1 305.466 2.646 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344515263 335258146 /nfs/dbraw/zinc/25/81/46/335258146.db2.gz NSCOASGOHGXJDQ-IBGZPJMESA-N 2 1 315.461 2.543 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344515263 335258148 /nfs/dbraw/zinc/25/81/48/335258148.db2.gz NSCOASGOHGXJDQ-IBGZPJMESA-N 2 1 315.461 2.543 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000344657319 335269220 /nfs/dbraw/zinc/26/92/20/335269220.db2.gz AXUYLJXABADQEN-ZBFHGGJFSA-N 2 1 304.434 2.832 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000344657319 335269222 /nfs/dbraw/zinc/26/92/22/335269222.db2.gz AXUYLJXABADQEN-ZBFHGGJFSA-N 2 1 304.434 2.832 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348121818 335549947 /nfs/dbraw/zinc/54/99/47/335549947.db2.gz RRVFNAPWCORYMK-UONOGXRCSA-N 2 1 306.372 2.726 20 30 DFEDMP CSC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1CSC ZINC000351226025 336025541 /nfs/dbraw/zinc/02/55/41/336025541.db2.gz MCFXVWRNMGRRPO-HZPDHXFCSA-N 2 1 312.548 2.645 20 30 DFEDMP C=C(C)CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351731725 336063123 /nfs/dbraw/zinc/06/31/23/336063123.db2.gz OOBSHIAGQTWLOX-CALCHBBNSA-N 2 1 310.482 2.543 20 30 DFEDMP C=C(C)CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351731725 336063124 /nfs/dbraw/zinc/06/31/24/336063124.db2.gz OOBSHIAGQTWLOX-CALCHBBNSA-N 2 1 310.482 2.543 20 30 DFEDMP CN(C)C(=[NH+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)N(C)C ZINC000104177802 336383875 /nfs/dbraw/zinc/38/38/75/336383875.db2.gz LLCZTENFEJFIGB-QGZVFWFLSA-N 2 1 302.466 2.520 20 30 DFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000361462988 336757560 /nfs/dbraw/zinc/75/75/60/336757560.db2.gz DJKAYICKDLGJCN-MOPGFXCFSA-N 2 1 313.445 2.691 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373027553 336946180 /nfs/dbraw/zinc/94/61/80/336946180.db2.gz FPOITBLAMNLCGD-DOTOQJQBSA-N 2 1 310.401 2.841 20 30 DFEDMP C[NH+]1CCC2(CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000376383228 337032378 /nfs/dbraw/zinc/03/23/78/337032378.db2.gz GFVMJEZFFHERQH-UHFFFAOYSA-N 2 1 300.421 2.985 20 30 DFEDMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)[NH+]1CCCC1 ZINC000378451211 337073096 /nfs/dbraw/zinc/07/30/96/337073096.db2.gz DLMRHLCMIHBWGD-LFDJNIOPSA-N 2 1 319.493 2.936 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1C ZINC000420303886 337499015 /nfs/dbraw/zinc/49/90/15/337499015.db2.gz XOJSDJFTLUJFJP-CQSZACIVSA-N 2 1 303.450 2.533 20 30 DFEDMP C=CCC[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543608438 341051062 /nfs/dbraw/zinc/05/10/62/341051062.db2.gz NQKZFIIRCJCPOG-HOTGVXAUSA-N 2 1 307.507 2.981 20 30 DFEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645517 214298780 /nfs/dbraw/zinc/29/87/80/214298780.db2.gz SLVIBUSUDLPUEN-CABCVRRESA-N 2 1 319.424 2.849 20 30 DFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645517 214298782 /nfs/dbraw/zinc/29/87/82/214298782.db2.gz SLVIBUSUDLPUEN-CABCVRRESA-N 2 1 319.424 2.849 20 30 DFEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000310094635 231109588 /nfs/dbraw/zinc/10/95/88/231109588.db2.gz UIBOVIRYICDFDT-GOSISDBHSA-N 2 1 322.456 2.899 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000066243182 398364283 /nfs/dbraw/zinc/36/42/83/398364283.db2.gz GOFQRPMZIMEOEX-CQSZACIVSA-N 2 1 300.450 2.628 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081983842 398377934 /nfs/dbraw/zinc/37/79/34/398377934.db2.gz RANMHYCRUJTLJR-HIFRSBDPSA-N 2 1 306.479 2.611 20 30 DFEDMP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000592152730 398392133 /nfs/dbraw/zinc/39/21/33/398392133.db2.gz CBPUGYDELSISCG-IBGZPJMESA-N 2 1 313.445 2.523 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181774951 199351117 /nfs/dbraw/zinc/35/11/17/199351117.db2.gz JAZITIKUSUIVOL-RDJZCZTQSA-N 2 1 313.445 2.710 20 30 DFEDMP CN(c1ccccc1C[NH+]1CC(CC#N)C1)C1CC[NH+](C)CC1 ZINC000597194103 398586843 /nfs/dbraw/zinc/58/68/43/398586843.db2.gz MYGDECFIQWSQBH-UHFFFAOYSA-N 2 1 312.461 2.562 20 30 DFEDMP N#Cc1ccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000174346504 198322233 /nfs/dbraw/zinc/32/22/33/198322233.db2.gz YQTZMBXTEKJTTQ-QGZVFWFLSA-N 2 1 309.413 2.805 20 30 DFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000081568653 192293462 /nfs/dbraw/zinc/29/34/62/192293462.db2.gz PLEYZLSXWWIBDT-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000081568653 192293464 /nfs/dbraw/zinc/29/34/64/192293464.db2.gz PLEYZLSXWWIBDT-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000081568653 192293467 /nfs/dbraw/zinc/29/34/67/192293467.db2.gz PLEYZLSXWWIBDT-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000081568653 192293471 /nfs/dbraw/zinc/29/34/71/192293471.db2.gz PLEYZLSXWWIBDT-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP N#CC1CCC(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000594504686 398811511 /nfs/dbraw/zinc/81/15/11/398811511.db2.gz SENQZLSHLDMNBY-LEOMRAHMSA-N 2 1 305.466 2.549 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598586104 398835820 /nfs/dbraw/zinc/83/58/20/398835820.db2.gz OOJAPWNWGOWLSJ-KRWDZBQOSA-N 2 1 309.498 2.731 20 30 DFEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000598590005 398836930 /nfs/dbraw/zinc/83/69/30/398836930.db2.gz NMYRGJMROIPSKD-ZWKOTPCHSA-N 2 1 321.509 2.875 20 30 DFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187682702 200144265 /nfs/dbraw/zinc/14/42/65/200144265.db2.gz YMWPYEWUHAMWEM-CVEARBPZSA-N 2 1 315.461 2.644 20 30 DFEDMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000595500890 398951115 /nfs/dbraw/zinc/95/11/15/398951115.db2.gz GJYPRJHOJSZLNC-MSOLQXFVSA-N 2 1 303.450 2.712 20 30 DFEDMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000595500890 398951117 /nfs/dbraw/zinc/95/11/17/398951117.db2.gz GJYPRJHOJSZLNC-MSOLQXFVSA-N 2 1 303.450 2.712 20 30 DFEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCOc1cccc(C#N)c1)C2 ZINC000595505591 398951909 /nfs/dbraw/zinc/95/19/09/398951909.db2.gz WLVXSRDIXZCYDQ-IBGZPJMESA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCOc1cccc(C#N)c1)C2 ZINC000595505591 398951913 /nfs/dbraw/zinc/95/19/13/398951913.db2.gz WLVXSRDIXZCYDQ-IBGZPJMESA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCOc1cccc(C#N)c1)C2 ZINC000595505591 398951916 /nfs/dbraw/zinc/95/19/16/398951916.db2.gz WLVXSRDIXZCYDQ-IBGZPJMESA-N 2 1 313.445 2.745 20 30 DFEDMP C#CCCC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283321080 335003842 /nfs/dbraw/zinc/00/38/42/335003842.db2.gz YMXLYYIEOPBFHT-OAHLLOKOSA-N 2 1 303.475 2.843 20 30 DFEDMP C#CCCC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283321080 335003843 /nfs/dbraw/zinc/00/38/43/335003843.db2.gz YMXLYYIEOPBFHT-OAHLLOKOSA-N 2 1 303.475 2.843 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746030 399160562 /nfs/dbraw/zinc/16/05/62/399160562.db2.gz HFVRVZFYDSLUAO-SJORKVTESA-N 2 1 321.509 2.654 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746030 399160567 /nfs/dbraw/zinc/16/05/67/399160567.db2.gz HFVRVZFYDSLUAO-SJORKVTESA-N 2 1 321.509 2.654 20 30 DFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000614403872 399226446 /nfs/dbraw/zinc/22/64/46/399226446.db2.gz ULZJJHSYXBGOOL-IPMKNSEASA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000614403870 399227202 /nfs/dbraw/zinc/22/72/02/399227202.db2.gz ULZJJHSYXBGOOL-GBESFXJTSA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)c1 ZINC000610992872 399426121 /nfs/dbraw/zinc/42/61/21/399426121.db2.gz PEHRCUAYWKNOLH-MRXNPFEDSA-N 2 1 307.401 2.591 20 30 DFEDMP C[C@@H](C#N)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000611276104 399456835 /nfs/dbraw/zinc/45/68/35/399456835.db2.gz LXOTVXIWCDFIJZ-HNNXBMFYSA-N 2 1 301.434 2.751 20 30 DFEDMP C[C@@H](C#N)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000611276104 399456837 /nfs/dbraw/zinc/45/68/37/399456837.db2.gz LXOTVXIWCDFIJZ-HNNXBMFYSA-N 2 1 301.434 2.751 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438563 399476765 /nfs/dbraw/zinc/47/67/65/399476765.db2.gz AIDJJTWBCNVSAU-HNAYVOBHSA-N 2 1 313.445 2.852 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438567 399476978 /nfs/dbraw/zinc/47/69/78/399476978.db2.gz AIPTYASBMXSLQD-HNAYVOBHSA-N 2 1 313.445 2.852 20 30 DFEDMP Cc1cc(N2CCC([NH2+]C[C@H](C)CCC#N)CC2)nc(C)[nH+]1 ZINC000602587527 399484709 /nfs/dbraw/zinc/48/47/09/399484709.db2.gz JEGIRAREMXSWKL-CYBMUJFWSA-N 2 1 301.438 2.592 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602635462 399498271 /nfs/dbraw/zinc/49/82/71/399498271.db2.gz FJPGVAKJGMENFU-MJGOQNOKSA-N 2 1 315.461 2.807 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602635462 399498275 /nfs/dbraw/zinc/49/82/75/399498275.db2.gz FJPGVAKJGMENFU-MJGOQNOKSA-N 2 1 315.461 2.807 20 30 DFEDMP C=CC[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625702855 399617688 /nfs/dbraw/zinc/61/76/88/399617688.db2.gz OXHAIPCSDBRYBH-KRWDZBQOSA-N 2 1 300.446 2.917 20 30 DFEDMP C=CC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625702855 399617694 /nfs/dbraw/zinc/61/76/94/399617694.db2.gz OXHAIPCSDBRYBH-KRWDZBQOSA-N 2 1 300.446 2.917 20 30 DFEDMP N#CCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000563852285 335057487 /nfs/dbraw/zinc/05/74/87/335057487.db2.gz PLJRQTSVQPWNRE-UHFFFAOYSA-N 2 1 313.445 2.644 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723637 544102638 /nfs/dbraw/zinc/10/26/38/544102638.db2.gz DMOAWNHLAMIJAO-OALUTQOASA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723637 544102640 /nfs/dbraw/zinc/10/26/40/544102640.db2.gz DMOAWNHLAMIJAO-OALUTQOASA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723637 544102642 /nfs/dbraw/zinc/10/26/42/544102642.db2.gz DMOAWNHLAMIJAO-OALUTQOASA-N 2 1 300.446 2.521 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000350322113 266114946 /nfs/dbraw/zinc/11/49/46/266114946.db2.gz HEDBPIBPSHDEEL-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000350322113 266114949 /nfs/dbraw/zinc/11/49/49/266114949.db2.gz HEDBPIBPSHDEEL-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP COc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1C#N ZINC000135091647 426205083 /nfs/dbraw/zinc/20/50/83/426205083.db2.gz IDUPKGIYFASMJP-INIZCTEOSA-N 2 1 322.412 2.896 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043269 426345945 /nfs/dbraw/zinc/34/59/45/426345945.db2.gz YHSPZLWZTPHLQC-SZVBFZGTSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043269 426345948 /nfs/dbraw/zinc/34/59/48/426345948.db2.gz YHSPZLWZTPHLQC-SZVBFZGTSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043269 426345950 /nfs/dbraw/zinc/34/59/50/426345950.db2.gz YHSPZLWZTPHLQC-SZVBFZGTSA-N 2 1 313.445 2.894 20 30 DFEDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000123643300 426444640 /nfs/dbraw/zinc/44/46/40/426444640.db2.gz KJVMFNGIWAVOEN-KRWDZBQOSA-N 2 1 324.428 2.625 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000178316571 426603243 /nfs/dbraw/zinc/60/32/43/426603243.db2.gz PLDFOGCFILFFGO-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000178316571 426603246 /nfs/dbraw/zinc/60/32/46/426603246.db2.gz PLDFOGCFILFFGO-KRWDZBQOSA-N 2 1 310.401 2.607 20 30 DFEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245666409 426762178 /nfs/dbraw/zinc/76/21/78/426762178.db2.gz HCERLLDXYUGKBW-IUODEOHRSA-N 2 1 324.831 2.562 20 30 DFEDMP CCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290659996 426814287 /nfs/dbraw/zinc/81/42/87/426814287.db2.gz NVFGDQOACNAGSR-QGZVFWFLSA-N 2 1 302.466 2.603 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000121126960 271021663 /nfs/dbraw/zinc/02/16/63/271021663.db2.gz SHYTUOMGWPAOAT-MRXNPFEDSA-N 2 1 301.434 2.731 20 30 DFEDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285939508 427382204 /nfs/dbraw/zinc/38/22/04/427382204.db2.gz FQKSNQPCCVXJRY-MRXNPFEDSA-N 2 1 314.477 2.847 20 30 DFEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285939508 427382210 /nfs/dbraw/zinc/38/22/10/427382210.db2.gz FQKSNQPCCVXJRY-MRXNPFEDSA-N 2 1 314.477 2.847 20 30 DFEDMP N#Cc1ccccc1N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000193471743 427695277 /nfs/dbraw/zinc/69/52/77/427695277.db2.gz JOBJQOIBTPBGLO-UHFFFAOYSA-N 2 1 312.461 2.556 20 30 DFEDMP N#Cc1ccccc1N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000193471743 427695283 /nfs/dbraw/zinc/69/52/83/427695283.db2.gz JOBJQOIBTPBGLO-UHFFFAOYSA-N 2 1 312.461 2.556 20 30 DFEDMP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c(C(F)(F)F)c1 ZINC000353237798 428444045 /nfs/dbraw/zinc/44/40/45/428444045.db2.gz DURUVNDFSOLQBB-LBPRGKRZSA-N 2 1 320.318 2.947 20 30 DFEDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360833325 428455730 /nfs/dbraw/zinc/45/57/30/428455730.db2.gz HDYPNCUVEZVYRB-IBGZPJMESA-N 2 1 315.461 2.884 20 30 DFEDMP C[N@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372569807 428465968 /nfs/dbraw/zinc/46/59/68/428465968.db2.gz CKPXSHVWMAHXKH-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372569807 428465975 /nfs/dbraw/zinc/46/59/75/428465975.db2.gz CKPXSHVWMAHXKH-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1O ZINC000347046593 428422552 /nfs/dbraw/zinc/42/25/52/428422552.db2.gz OTJVBLVYYIMVDN-XJKSGUPXSA-N 2 1 304.434 2.689 20 30 DFEDMP N#Cc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000372206048 428423124 /nfs/dbraw/zinc/42/31/24/428423124.db2.gz YQKAISDGUWPQFZ-FHWLQOOXSA-N 2 1 324.472 2.743 20 30 DFEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000411259793 428767001 /nfs/dbraw/zinc/76/70/01/428767001.db2.gz YAFCDUQEJSLNTG-GOSISDBHSA-N 2 1 318.509 2.562 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(C#N)c2)C[C@H]1C ZINC000354223589 428925722 /nfs/dbraw/zinc/92/57/22/428925722.db2.gz LSCBMDNQBXSRRP-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(C#N)c2)C[C@H]1C ZINC000354223589 428925728 /nfs/dbraw/zinc/92/57/28/428925728.db2.gz LSCBMDNQBXSRRP-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP C=CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420298508 428955611 /nfs/dbraw/zinc/95/56/11/428955611.db2.gz HKCAWXGYIDRNNN-OAHLLOKOSA-N 2 1 303.406 2.973 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000422558904 429051170 /nfs/dbraw/zinc/05/11/70/429051170.db2.gz BFFZLKVIBUIWFX-KEYYUXOJSA-N 2 1 318.461 2.935 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000491651671 429385530 /nfs/dbraw/zinc/38/55/30/429385530.db2.gz IDFUZMXZGIRFRH-QFBILLFUSA-N 2 1 318.436 2.838 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000491651671 429385533 /nfs/dbraw/zinc/38/55/33/429385533.db2.gz IDFUZMXZGIRFRH-QFBILLFUSA-N 2 1 318.436 2.838 20 30 DFEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449547356 429447821 /nfs/dbraw/zinc/44/78/21/429447821.db2.gz HXSFAYRCRHOANA-MOPGFXCFSA-N 2 1 300.446 2.974 20 30 DFEDMP C=CCC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449695707 429483036 /nfs/dbraw/zinc/48/30/36/429483036.db2.gz FWXSDJYCNWKZLJ-LJQANCHMSA-N 2 1 320.452 2.749 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042713 429564508 /nfs/dbraw/zinc/56/45/08/429564508.db2.gz JNUGJXDAXIQBFP-VVUWUOFOSA-N 2 1 319.493 2.795 20 30 DFEDMP C[N@@H+]1CCCC12CC[NH+](CCCC1(C#N)CCOCC1)CC2 ZINC000369062585 429910501 /nfs/dbraw/zinc/91/05/01/429910501.db2.gz HNPLRUJBAORVJD-UHFFFAOYSA-N 2 1 305.466 2.647 20 30 DFEDMP C[N@H+]1CCCC12CC[NH+](CCCC1(C#N)CCOCC1)CC2 ZINC000369062585 429910503 /nfs/dbraw/zinc/91/05/03/429910503.db2.gz HNPLRUJBAORVJD-UHFFFAOYSA-N 2 1 305.466 2.647 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000369343478 429925523 /nfs/dbraw/zinc/92/55/23/429925523.db2.gz NOROFNKFSNJGNM-LZQZEXGQSA-N 2 1 313.445 2.537 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639863018 430002108 /nfs/dbraw/zinc/00/21/08/430002108.db2.gz BCRZFQMOVNSTME-ZCNNSNEGSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639863018 430002114 /nfs/dbraw/zinc/00/21/14/430002114.db2.gz BCRZFQMOVNSTME-ZCNNSNEGSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639863018 430002118 /nfs/dbraw/zinc/00/21/18/430002118.db2.gz BCRZFQMOVNSTME-ZCNNSNEGSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639863018 430002121 /nfs/dbraw/zinc/00/21/21/430002121.db2.gz BCRZFQMOVNSTME-ZCNNSNEGSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639863017 430002143 /nfs/dbraw/zinc/00/21/43/430002143.db2.gz BCRZFQMOVNSTME-HSALFYBXSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639863017 430002147 /nfs/dbraw/zinc/00/21/47/430002147.db2.gz BCRZFQMOVNSTME-HSALFYBXSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639863017 430002151 /nfs/dbraw/zinc/00/21/51/430002151.db2.gz BCRZFQMOVNSTME-HSALFYBXSA-N 2 1 312.457 2.806 20 30 DFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639863017 430002154 /nfs/dbraw/zinc/00/21/54/430002154.db2.gz BCRZFQMOVNSTME-HSALFYBXSA-N 2 1 312.457 2.806 20 30 DFEDMP C[C@H](NC[C@H](C#N)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562282234 430116026 /nfs/dbraw/zinc/11/60/26/430116026.db2.gz CIQNLXWTINHEPP-WDSOQIARSA-N 2 1 310.445 2.930 20 30 DFEDMP N#CCCn1cc(C[NH2+]CCC[NH+]2CCC2)c(-c2ccccc2)n1 ZINC000564225972 430193595 /nfs/dbraw/zinc/19/35/95/430193595.db2.gz NHLHWZSDZXCUHI-UHFFFAOYSA-N 2 1 323.444 2.649 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180720 430276165 /nfs/dbraw/zinc/27/61/65/430276165.db2.gz MTRNGDOQELLQJG-OALUTQOASA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180720 430276169 /nfs/dbraw/zinc/27/61/69/430276169.db2.gz MTRNGDOQELLQJG-OALUTQOASA-N 2 1 314.473 2.958 20 30 DFEDMP CC#CC[C@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000641767271 430466618 /nfs/dbraw/zinc/46/66/18/430466618.db2.gz ICEFQUIVZXVHEY-GOSISDBHSA-N 2 1 302.462 2.509 20 30 DFEDMP CC#CC[C@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000641767271 430466620 /nfs/dbraw/zinc/46/66/20/430466620.db2.gz ICEFQUIVZXVHEY-GOSISDBHSA-N 2 1 302.462 2.509 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000555879156 430675190 /nfs/dbraw/zinc/67/51/90/430675190.db2.gz VPKFVKZXXUYRAY-HZPDHXFCSA-N 2 1 313.445 2.804 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000555879156 430675192 /nfs/dbraw/zinc/67/51/92/430675192.db2.gz VPKFVKZXXUYRAY-HZPDHXFCSA-N 2 1 313.445 2.804 20 30 DFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651720209 430857800 /nfs/dbraw/zinc/85/78/00/430857800.db2.gz TVEJMSYXZYHSEC-HOJAQTOUSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651720209 430857804 /nfs/dbraw/zinc/85/78/04/430857804.db2.gz TVEJMSYXZYHSEC-HOJAQTOUSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1O ZINC000650709346 431655670 /nfs/dbraw/zinc/65/56/70/431655670.db2.gz TZQGULNCWZCQNB-LPHOPBHVSA-N 2 1 316.445 2.690 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc(OC)c1O ZINC000647498399 431609375 /nfs/dbraw/zinc/60/93/75/431609375.db2.gz GNWZBTMQQJTHRS-GDBMZVCRSA-N 2 1 304.434 2.689 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc(OC)c1O ZINC000647498399 431609379 /nfs/dbraw/zinc/60/93/79/431609379.db2.gz GNWZBTMQQJTHRS-GDBMZVCRSA-N 2 1 304.434 2.689 20 30 DFEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000577054349 318167979 /nfs/dbraw/zinc/16/79/79/318167979.db2.gz CPLJDIYTCAXDLI-AGERRDQYSA-N 2 1 313.445 2.836 20 30 DFEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093770489 332142075 /nfs/dbraw/zinc/14/20/75/332142075.db2.gz LRRFYDWBWRTYDX-SFHVURJKSA-N 2 1 314.477 2.810 20 30 DFEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093770489 332142077 /nfs/dbraw/zinc/14/20/77/332142077.db2.gz LRRFYDWBWRTYDX-SFHVURJKSA-N 2 1 314.477 2.810 20 30 DFEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093770489 332142079 /nfs/dbraw/zinc/14/20/79/332142079.db2.gz LRRFYDWBWRTYDX-SFHVURJKSA-N 2 1 314.477 2.810 20 30 DFEDMP C#Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000293984030 335116617 /nfs/dbraw/zinc/11/66/17/335116617.db2.gz LDAGDJQLMRASQQ-YOFSQIOKSA-N 2 1 312.457 2.742 20 30 DFEDMP C#Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000293984030 335116619 /nfs/dbraw/zinc/11/66/19/335116619.db2.gz LDAGDJQLMRASQQ-YOFSQIOKSA-N 2 1 312.457 2.742 20 30 DFEDMP C#Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000293984030 335116621 /nfs/dbraw/zinc/11/66/21/335116621.db2.gz LDAGDJQLMRASQQ-YOFSQIOKSA-N 2 1 312.457 2.742 20 30 DFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccccc1 ZINC000170906541 333042184 /nfs/dbraw/zinc/04/21/84/333042184.db2.gz XOOZXJXZVNXAPS-MRXNPFEDSA-N 2 1 311.433 2.891 20 30 DFEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCC2)o1 ZINC000170914426 333042539 /nfs/dbraw/zinc/04/25/39/333042539.db2.gz MMCQQMAFJSHFNX-AWEZNQCLSA-N 2 1 313.405 2.547 20 30 DFEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccccn1 ZINC000178571848 333140894 /nfs/dbraw/zinc/14/08/94/333140894.db2.gz DDZKUCOLDVGBNQ-MRXNPFEDSA-N 2 1 315.465 2.853 20 30 DFEDMP CC[C@@H](CC#N)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184088190 333191764 /nfs/dbraw/zinc/19/17/64/333191764.db2.gz IJEVEVGVEYEHMV-KRWDZBQOSA-N 2 1 314.477 2.999 20 30 DFEDMP CCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000264090052 333951607 /nfs/dbraw/zinc/95/16/07/333951607.db2.gz KSYZVHQUQCVZNX-INIZCTEOSA-N 2 1 318.465 2.537 20 30 DFEDMP C=C(C)COc1cc(CN[C@H]2CC[N@H+](CC)C2)ccc1OC ZINC000414543585 334014163 /nfs/dbraw/zinc/01/41/63/334014163.db2.gz OAEHMMAMHPKKIH-INIZCTEOSA-N 2 1 304.434 2.834 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1O ZINC000414770948 334089571 /nfs/dbraw/zinc/08/95/71/334089571.db2.gz PYFXNOYVVAQZHD-CALCHBBNSA-N 2 1 316.445 2.561 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415035083 334260446 /nfs/dbraw/zinc/26/04/46/334260446.db2.gz DFAQCLRIMMESDS-INIZCTEOSA-N 2 1 304.434 2.867 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(OC)c1O ZINC000415062715 334262263 /nfs/dbraw/zinc/26/22/63/334262263.db2.gz FVYFFCKULUTNRT-INIZCTEOSA-N 2 1 304.434 2.736 20 30 DFEDMP C=CCOc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000121007825 334341369 /nfs/dbraw/zinc/34/13/69/334341369.db2.gz MGBDFRQACCNYJO-INIZCTEOSA-N 2 1 304.434 2.644 20 30 DFEDMP C=CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000121007825 334341370 /nfs/dbraw/zinc/34/13/70/334341370.db2.gz MGBDFRQACCNYJO-INIZCTEOSA-N 2 1 304.434 2.644 20 30 DFEDMP C=CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000121007825 334341371 /nfs/dbraw/zinc/34/13/71/334341371.db2.gz MGBDFRQACCNYJO-INIZCTEOSA-N 2 1 304.434 2.644 20 30 DFEDMP C#CCOc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121787215 334367466 /nfs/dbraw/zinc/36/74/66/334367466.db2.gz GDSILHJLICJRBK-UHFFFAOYSA-N 2 1 323.440 2.887 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344515265 335258019 /nfs/dbraw/zinc/25/80/19/335258019.db2.gz NSCOASGOHGXJDQ-LJQANCHMSA-N 2 1 315.461 2.543 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344515265 335258021 /nfs/dbraw/zinc/25/80/21/335258021.db2.gz NSCOASGOHGXJDQ-LJQANCHMSA-N 2 1 315.461 2.543 20 30 DFEDMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000344624495 335264992 /nfs/dbraw/zinc/26/49/92/335264992.db2.gz IXPZMYNDYAUADZ-RDJZCZTQSA-N 2 1 301.434 2.941 20 30 DFEDMP CSC[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1CSC ZINC000351226027 336025523 /nfs/dbraw/zinc/02/55/23/336025523.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP CSC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CSC ZINC000351226027 336025524 /nfs/dbraw/zinc/02/55/24/336025524.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP CSC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1CSC ZINC000351226027 336025526 /nfs/dbraw/zinc/02/55/26/336025526.db2.gz MCFXVWRNMGRRPO-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000329789465 336082007 /nfs/dbraw/zinc/08/20/07/336082007.db2.gz SLHAENRFZHIMIK-FMKPAKJESA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000329789465 336082010 /nfs/dbraw/zinc/08/20/10/336082010.db2.gz SLHAENRFZHIMIK-FMKPAKJESA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1)C2 ZINC000330173002 336120594 /nfs/dbraw/zinc/12/05/94/336120594.db2.gz HAONLTMONBTTEK-GJZGRUSLSA-N 2 1 304.438 2.583 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000330173002 336120596 /nfs/dbraw/zinc/12/05/96/336120596.db2.gz HAONLTMONBTTEK-GJZGRUSLSA-N 2 1 304.438 2.583 20 30 DFEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CCCC1 ZINC000103905768 336383113 /nfs/dbraw/zinc/38/31/13/336383113.db2.gz BXXTZGWYRUPHSW-OAHLLOKOSA-N 2 1 320.506 2.993 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccccn2)cc1F ZINC000170910331 337085294 /nfs/dbraw/zinc/08/52/94/337085294.db2.gz WLFOTTDMGXCXRM-UHFFFAOYSA-N 2 1 324.363 2.642 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000263252140 337625886 /nfs/dbraw/zinc/62/58/86/337625886.db2.gz PHOPERADPCSPEH-INIZCTEOSA-N 2 1 318.465 2.914 20 30 DFEDMP N#CCSCCC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432114393 338146059 /nfs/dbraw/zinc/14/60/59/338146059.db2.gz JWCVVPLPSVVNJS-CQSZACIVSA-N 2 1 304.463 2.656 20 30 DFEDMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435445117 338240270 /nfs/dbraw/zinc/24/02/70/338240270.db2.gz CNQFIKIZAXDIMB-MRXNPFEDSA-N 2 1 304.434 2.834 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482168220 339625346 /nfs/dbraw/zinc/62/53/46/339625346.db2.gz XORFGKKSEHJSTF-ZWKOTPCHSA-N 2 1 323.525 2.901 20 30 DFEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000365159220 527218521 /nfs/dbraw/zinc/21/85/21/527218521.db2.gz YGTGVMKXYQMLQE-RHSMWYFYSA-N 2 1 314.458 2.741 20 30 DFEDMP C[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000358141573 536343722 /nfs/dbraw/zinc/34/37/22/536343722.db2.gz PVHCKKNOUSFZMC-UHFFFAOYSA-N 2 1 313.445 2.932 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645554 214299827 /nfs/dbraw/zinc/29/98/27/214299827.db2.gz SLVIBUSUDLPUEN-LSDHHAIUSA-N 2 1 319.424 2.849 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645554 214299828 /nfs/dbraw/zinc/29/98/28/214299828.db2.gz SLVIBUSUDLPUEN-LSDHHAIUSA-N 2 1 319.424 2.849 20 30 DFEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181493074 199305739 /nfs/dbraw/zinc/30/57/39/199305739.db2.gz HWMISXZBUQCLSI-KRWDZBQOSA-N 2 1 314.477 2.627 20 30 DFEDMP C=CCCC[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000091514321 398534991 /nfs/dbraw/zinc/53/49/91/398534991.db2.gz PFSJUIGAHCLLNC-KRWDZBQOSA-N 2 1 321.509 2.607 20 30 DFEDMP N#Cc1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000174346521 198321901 /nfs/dbraw/zinc/32/19/01/198321901.db2.gz YQTZMBXTEKJTTQ-KRWDZBQOSA-N 2 1 309.413 2.805 20 30 DFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598590113 398836418 /nfs/dbraw/zinc/83/64/18/398836418.db2.gz KFNSFOKPCSFGDU-ZWKOTPCHSA-N 2 1 321.509 2.731 20 30 DFEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000595471443 398945862 /nfs/dbraw/zinc/94/58/62/398945862.db2.gz AUXZCMRTRAGBHZ-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000599334482 398955301 /nfs/dbraw/zinc/95/53/01/398955301.db2.gz FYHZXIKSKMLNRU-GUDVDZBRSA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000599334482 398955302 /nfs/dbraw/zinc/95/53/02/398955302.db2.gz FYHZXIKSKMLNRU-GUDVDZBRSA-N 2 1 313.445 2.550 20 30 DFEDMP C=CCc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1O ZINC000092253564 193181417 /nfs/dbraw/zinc/18/14/17/193181417.db2.gz BPOFJBYTMWLMRN-HNNXBMFYSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1O ZINC000092253564 193181419 /nfs/dbraw/zinc/18/14/19/193181419.db2.gz BPOFJBYTMWLMRN-HNNXBMFYSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CCc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1O ZINC000092253564 193181421 /nfs/dbraw/zinc/18/14/21/193181421.db2.gz BPOFJBYTMWLMRN-HNNXBMFYSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CCc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1O ZINC000092253564 193181422 /nfs/dbraw/zinc/18/14/22/193181422.db2.gz BPOFJBYTMWLMRN-HNNXBMFYSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601113760 399231382 /nfs/dbraw/zinc/23/13/82/399231382.db2.gz QFZVEIGRKCMMPY-UHFFFAOYSA-N 2 1 312.373 2.627 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC000192193886 335027452 /nfs/dbraw/zinc/02/74/52/335027452.db2.gz FGZSYCLMNQKBPN-UYAOXDASSA-N 2 1 314.473 2.765 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC000192193886 335027455 /nfs/dbraw/zinc/02/74/55/335027455.db2.gz FGZSYCLMNQKBPN-UYAOXDASSA-N 2 1 314.473 2.765 20 30 DFEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000602536033 399470102 /nfs/dbraw/zinc/47/01/02/399470102.db2.gz WCHYIDXQUAZGAW-SFHVURJKSA-N 2 1 320.440 2.607 20 30 DFEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000602536033 399470105 /nfs/dbraw/zinc/47/01/05/399470105.db2.gz WCHYIDXQUAZGAW-SFHVURJKSA-N 2 1 320.440 2.607 20 30 DFEDMP N#CCc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845421 399598551 /nfs/dbraw/zinc/59/85/51/399598551.db2.gz KOIXDZZPFLLKIT-UHFFFAOYSA-N 2 1 306.413 2.860 20 30 DFEDMP N#Cc1ccc(OCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602846435 399600508 /nfs/dbraw/zinc/60/05/08/399600508.db2.gz PXYMOWVMFWHLEO-UHFFFAOYSA-N 2 1 322.412 2.544 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366817553 335062046 /nfs/dbraw/zinc/06/20/46/335062046.db2.gz HAWJZLYLHXLORC-GOSISDBHSA-N 2 1 300.450 2.589 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000361518447 149137186 /nfs/dbraw/zinc/13/71/86/149137186.db2.gz JOQUPWZFYDHRAH-OAHLLOKOSA-N 2 1 322.412 2.845 20 30 DFEDMP C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191580090 268006305 /nfs/dbraw/zinc/00/63/05/268006305.db2.gz UTPSMGBTVWEVHW-GDBMZVCRSA-N 2 1 300.450 2.639 20 30 DFEDMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1C#N ZINC000328157614 268351338 /nfs/dbraw/zinc/35/13/38/268351338.db2.gz GKKGJPAFLPLINW-MOPGFXCFSA-N 2 1 321.424 2.741 20 30 DFEDMP C[C@H]1C[C@@H](CNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000136868674 426247194 /nfs/dbraw/zinc/24/71/94/426247194.db2.gz SLOCJBJUUPIUEU-WMZOPIPTSA-N 2 1 314.477 2.698 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000174247178 426253096 /nfs/dbraw/zinc/25/30/96/426253096.db2.gz YHPBFSBTRNSKEL-UHFFFAOYSA-N 2 1 315.461 2.938 20 30 DFEDMP C=C(C)COCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090451304 426328121 /nfs/dbraw/zinc/32/81/21/426328121.db2.gz NUQARHIEJOVOOK-UHFFFAOYSA-N 2 1 302.462 2.876 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121724511 426352448 /nfs/dbraw/zinc/35/24/48/426352448.db2.gz UZKXLCSLZKBUEX-KURKYZTESA-N 2 1 304.478 2.964 20 30 DFEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123183328 426418132 /nfs/dbraw/zinc/41/81/32/426418132.db2.gz IELIYRPHWKHAPY-OAHLLOKOSA-N 2 1 311.433 2.560 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123183328 426418134 /nfs/dbraw/zinc/41/81/34/426418134.db2.gz IELIYRPHWKHAPY-OAHLLOKOSA-N 2 1 311.433 2.560 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000195164771 426504737 /nfs/dbraw/zinc/50/47/37/426504737.db2.gz MJFMPQHGGTZIOJ-KRWDZBQOSA-N 2 1 308.429 2.935 20 30 DFEDMP CN(C)c1ncccc1O[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000289439977 426659299 /nfs/dbraw/zinc/65/92/99/426659299.db2.gz WLWRNYULSWLGEF-KRWDZBQOSA-N 2 1 322.412 2.673 20 30 DFEDMP CN(C)c1ncccc1O[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000289439977 426659303 /nfs/dbraw/zinc/65/93/03/426659303.db2.gz WLWRNYULSWLGEF-KRWDZBQOSA-N 2 1 322.412 2.673 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245768341 426769329 /nfs/dbraw/zinc/76/93/29/426769329.db2.gz RGCKQUNNANOXRM-AEFFLSMTSA-N 2 1 313.445 2.895 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245768341 426769334 /nfs/dbraw/zinc/76/93/34/426769334.db2.gz RGCKQUNNANOXRM-AEFFLSMTSA-N 2 1 313.445 2.895 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245422532 426736376 /nfs/dbraw/zinc/73/63/76/426736376.db2.gz IXGKTOMWOLHXGS-YJBOKZPZSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245422532 426736381 /nfs/dbraw/zinc/73/63/81/426736381.db2.gz IXGKTOMWOLHXGS-YJBOKZPZSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)[C@@H](C)C1 ZINC000245422532 426736385 /nfs/dbraw/zinc/73/63/85/426736385.db2.gz IXGKTOMWOLHXGS-YJBOKZPZSA-N 2 1 301.434 2.599 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000247296080 426923658 /nfs/dbraw/zinc/92/36/58/426923658.db2.gz UNWVOXKHDMNLQF-QFBILLFUSA-N 2 1 315.461 2.785 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000329552628 427139317 /nfs/dbraw/zinc/13/93/17/427139317.db2.gz GFDHMKAPOMRFBT-HOCLYGCPSA-N 2 1 316.449 2.727 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C2 ZINC000329552628 427139325 /nfs/dbraw/zinc/13/93/25/427139325.db2.gz GFDHMKAPOMRFBT-HOCLYGCPSA-N 2 1 316.449 2.727 20 30 DFEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262422114 427358755 /nfs/dbraw/zinc/35/87/55/427358755.db2.gz RCHLRYIDMUYIJQ-DZGCQCFKSA-N 2 1 308.495 2.691 20 30 DFEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)N1 ZINC000262679398 427367594 /nfs/dbraw/zinc/36/75/94/427367594.db2.gz VLIJGVUBFFRBSO-OWCLPIDISA-N 2 1 314.477 2.602 20 30 DFEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCC#N ZINC000294255523 427600525 /nfs/dbraw/zinc/60/05/25/427600525.db2.gz UTUCANJRZLALNF-GOSISDBHSA-N 2 1 315.461 2.807 20 30 DFEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCC#N ZINC000294255523 427600531 /nfs/dbraw/zinc/60/05/31/427600531.db2.gz UTUCANJRZLALNF-GOSISDBHSA-N 2 1 315.461 2.807 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCCCC2)cc1F ZINC000303882583 427907637 /nfs/dbraw/zinc/90/76/37/427907637.db2.gz LOXYCHOOSMIZPT-UHFFFAOYSA-N 2 1 315.396 2.620 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])N1CCC(C)CC1)C(C)C ZINC000341619402 428130920 /nfs/dbraw/zinc/13/09/20/428130920.db2.gz PVOXHZPIQSRWBT-QGZVFWFLSA-N 2 1 306.498 2.941 20 30 DFEDMP C[NH+]1CCC2(CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000370706937 428278034 /nfs/dbraw/zinc/27/80/34/428278034.db2.gz NDVRDBZVPCZQNX-UHFFFAOYSA-N 2 1 313.445 2.745 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346850788 428345234 /nfs/dbraw/zinc/34/52/34/428345234.db2.gz IBNQAINRRZGESZ-GVDBMIGSSA-N 2 1 316.445 2.819 20 30 DFEDMP CCCCCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000371568405 428398867 /nfs/dbraw/zinc/39/88/67/428398867.db2.gz IUWBQNBVZMEZDT-UHFFFAOYSA-N 2 1 312.498 2.506 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347178154 428482611 /nfs/dbraw/zinc/48/26/11/428482611.db2.gz SGKJEOVGFSETKU-INIZCTEOSA-N 2 1 304.434 2.691 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347178154 428482616 /nfs/dbraw/zinc/48/26/16/428482616.db2.gz SGKJEOVGFSETKU-INIZCTEOSA-N 2 1 304.434 2.691 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347203836 428491318 /nfs/dbraw/zinc/49/13/18/428491318.db2.gz KWDHZORNOHNDBN-GOEBONIOSA-N 2 1 304.434 2.819 20 30 DFEDMP CC[C@@H](CC#N)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000358291315 428594789 /nfs/dbraw/zinc/59/47/89/428594789.db2.gz SQMVKXBKUZJKJK-KRWDZBQOSA-N 2 1 300.450 2.610 20 30 DFEDMP Cc1cc(N2CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C2)nc(C)[nH+]1 ZINC000374140774 428665056 /nfs/dbraw/zinc/66/50/56/428665056.db2.gz CIHQHMTXJLDOOO-MRXNPFEDSA-N 2 1 315.465 2.982 20 30 DFEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362232475 428670022 /nfs/dbraw/zinc/67/00/22/428670022.db2.gz BWUDUNJRTOERBS-ILOCAZANSA-N 2 1 305.466 2.548 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000348266582 428684533 /nfs/dbraw/zinc/68/45/33/428684533.db2.gz IWBQGZBIHADPOG-KRWDZBQOSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000348266582 428684536 /nfs/dbraw/zinc/68/45/36/428684536.db2.gz IWBQGZBIHADPOG-KRWDZBQOSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000348266582 428684540 /nfs/dbraw/zinc/68/45/40/428684540.db2.gz IWBQGZBIHADPOG-KRWDZBQOSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000348266582 428684543 /nfs/dbraw/zinc/68/45/43/428684543.db2.gz IWBQGZBIHADPOG-KRWDZBQOSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000348266582 428684547 /nfs/dbraw/zinc/68/45/47/428684547.db2.gz IWBQGZBIHADPOG-KRWDZBQOSA-N 2 1 313.445 2.601 20 30 DFEDMP CN(CCC[N@@H+](C)CCC1(C#N)CCCCC1)CC[NH+](C)C ZINC000411740452 428848910 /nfs/dbraw/zinc/84/89/10/428848910.db2.gz YIDLZJZFHKAAST-UHFFFAOYSA-N 2 1 308.514 2.666 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000363167005 428873389 /nfs/dbraw/zinc/87/33/89/428873389.db2.gz BOULIUIHRXLMNZ-ZACQAIPSSA-N 2 1 307.482 2.795 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363616832 428956157 /nfs/dbraw/zinc/95/61/57/428956157.db2.gz SRXGMVKFBMAYCZ-HKUYNNGSSA-N 2 1 312.461 2.753 20 30 DFEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000365436421 429318246 /nfs/dbraw/zinc/31/82/46/429318246.db2.gz ZNJQLRUCHFJYJH-GOSISDBHSA-N 2 1 320.525 2.808 20 30 DFEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000365436421 429318248 /nfs/dbraw/zinc/31/82/48/429318248.db2.gz ZNJQLRUCHFJYJH-GOSISDBHSA-N 2 1 320.525 2.808 20 30 DFEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000365401331 429314080 /nfs/dbraw/zinc/31/40/80/429314080.db2.gz DDTBZNBAOFOLEK-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449522587 429441433 /nfs/dbraw/zinc/44/14/33/429441433.db2.gz VOUXWOCIEGBITC-MOPGFXCFSA-N 2 1 300.446 2.627 20 30 DFEDMP C[N@@H+](C[C@@H](C#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886913 429736457 /nfs/dbraw/zinc/73/64/57/429736457.db2.gz RNCYUJWQFHKEFU-QGZVFWFLSA-N 2 1 311.433 2.673 20 30 DFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143462 430822242 /nfs/dbraw/zinc/82/22/42/430822242.db2.gz YKXMOGJBAUNWEL-FCEWJHQRSA-N 2 1 302.462 2.944 20 30 DFEDMP C=CCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482971 431603322 /nfs/dbraw/zinc/60/33/22/431603322.db2.gz NQJNIFAQAWJEIL-UHFFFAOYSA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCOc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482971 431603326 /nfs/dbraw/zinc/60/33/26/431603326.db2.gz NQJNIFAQAWJEIL-UHFFFAOYSA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(OC)c1O ZINC000292752516 335094109 /nfs/dbraw/zinc/09/41/09/335094109.db2.gz INQHRDWZAYERQV-LJQANCHMSA-N 2 1 316.445 2.657 20 30 DFEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000104154946 332244176 /nfs/dbraw/zinc/24/41/76/332244176.db2.gz FCKSDWWAORMFAP-OAHLLOKOSA-N 2 1 304.438 2.654 20 30 DFEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)N(C)C ZINC000364205598 333272247 /nfs/dbraw/zinc/27/22/47/333272247.db2.gz HJSZKPNAQDAPCT-GOEBONIOSA-N 2 1 322.884 2.812 20 30 DFEDMP C#CCOc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364677452 333326426 /nfs/dbraw/zinc/32/64/26/333326426.db2.gz XEIPJLFXCQKUDX-KRWDZBQOSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364677452 333326427 /nfs/dbraw/zinc/32/64/27/333326427.db2.gz XEIPJLFXCQKUDX-KRWDZBQOSA-N 2 1 309.413 2.590 20 30 DFEDMP N#CC1(CCC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCOCC1 ZINC000366847447 335199625 /nfs/dbraw/zinc/19/96/25/335199625.db2.gz SFLFWTLIOBWRJO-OAHLLOKOSA-N 2 1 302.422 2.690 20 30 DFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCc1cn2c(n1)CCCC2 ZINC000329821180 336086159 /nfs/dbraw/zinc/08/61/59/336086159.db2.gz AMHAGIOKIXBEFH-OKILXGFUSA-N 2 1 304.438 2.591 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1)C2 ZINC000330173003 336120603 /nfs/dbraw/zinc/12/06/03/336120603.db2.gz HAONLTMONBTTEK-LSDHHAIUSA-N 2 1 304.438 2.583 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000330173003 336120605 /nfs/dbraw/zinc/12/06/05/336120605.db2.gz HAONLTMONBTTEK-LSDHHAIUSA-N 2 1 304.438 2.583 20 30 DFEDMP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C#N)CCC2)CC1 ZINC000418144968 336896820 /nfs/dbraw/zinc/89/68/20/336896820.db2.gz WCLFEHDRRBISPY-UHFFFAOYSA-N 2 1 312.461 2.612 20 30 DFEDMP C=CCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374206064 336983739 /nfs/dbraw/zinc/98/37/39/336983739.db2.gz CBLHWDNBDWYTNG-UHFFFAOYSA-N 2 1 321.509 2.607 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863608 337062930 /nfs/dbraw/zinc/06/29/30/337062930.db2.gz HYOAHFYZRPJWDC-SFHVURJKSA-N 2 1 323.440 2.980 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863608 337062931 /nfs/dbraw/zinc/06/29/31/337062931.db2.gz HYOAHFYZRPJWDC-SFHVURJKSA-N 2 1 323.440 2.980 20 30 DFEDMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C1CCCC1 ZINC000378457801 337073346 /nfs/dbraw/zinc/07/33/46/337073346.db2.gz RDEBXABTOVEIKR-FJIDUMEYSA-N 2 1 305.466 2.690 20 30 DFEDMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C1CCCC1 ZINC000378457801 337073347 /nfs/dbraw/zinc/07/33/47/337073347.db2.gz RDEBXABTOVEIKR-FJIDUMEYSA-N 2 1 305.466 2.690 20 30 DFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000178583731 337165275 /nfs/dbraw/zinc/16/52/75/337165275.db2.gz LPVSHYVDRQOUQG-GDBMZVCRSA-N 2 1 320.506 2.932 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000496846087 340014466 /nfs/dbraw/zinc/01/44/66/340014466.db2.gz LDPAZCYGYPPTGI-UHFFFAOYSA-N 2 1 323.481 2.672 20 30 DFEDMP C[N@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365996398 522782560 /nfs/dbraw/zinc/78/25/60/522782560.db2.gz BVGIHHJUGKXDQY-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365996398 522782566 /nfs/dbraw/zinc/78/25/66/522782566.db2.gz BVGIHHJUGKXDQY-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000066243132 398364089 /nfs/dbraw/zinc/36/40/89/398364089.db2.gz RBWHIXJPZVIXIR-HNNXBMFYSA-N 2 1 300.450 2.651 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000581170938 398388010 /nfs/dbraw/zinc/38/80/10/398388010.db2.gz BYYNWJYOIRLWJT-CRAIPNDOSA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000581170938 398388012 /nfs/dbraw/zinc/38/80/12/398388012.db2.gz BYYNWJYOIRLWJT-CRAIPNDOSA-N 2 1 301.434 2.971 20 30 DFEDMP C=CCC[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821505 185344054 /nfs/dbraw/zinc/34/40/54/185344054.db2.gz IZIJMNWRGSWZQE-IBGZPJMESA-N 2 1 317.477 2.947 20 30 DFEDMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597133700 398573120 /nfs/dbraw/zinc/57/31/20/398573120.db2.gz WIAVSXFYCIJGKH-MRXNPFEDSA-N 2 1 306.413 2.965 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337180509 398575462 /nfs/dbraw/zinc/57/54/62/398575462.db2.gz MCEPMNNZAKWLED-IAGOWNOFSA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337180509 398575465 /nfs/dbraw/zinc/57/54/65/398575465.db2.gz MCEPMNNZAKWLED-IAGOWNOFSA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337180509 398575468 /nfs/dbraw/zinc/57/54/68/398575468.db2.gz MCEPMNNZAKWLED-IAGOWNOFSA-N 2 1 307.482 2.892 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000375889409 283154076 /nfs/dbraw/zinc/15/40/76/283154076.db2.gz OPSVWIFEGFBUPY-QUCCMNQESA-N 2 1 324.472 2.743 20 30 DFEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271992655 209367066 /nfs/dbraw/zinc/36/70/66/209367066.db2.gz ZZEJJVVJZAAUAT-WMLDXEAASA-N 2 1 319.424 2.585 20 30 DFEDMP N#CC[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620782 399005659 /nfs/dbraw/zinc/00/56/59/399005659.db2.gz QSJKQLDZWMWVSF-QHNPVBQMSA-N 2 1 300.450 2.794 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250771 212225093 /nfs/dbraw/zinc/22/50/93/212225093.db2.gz GPVHVFIZGHNBOC-CVEARBPZSA-N 2 1 303.450 2.644 20 30 DFEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250771 212225097 /nfs/dbraw/zinc/22/50/97/212225097.db2.gz GPVHVFIZGHNBOC-CVEARBPZSA-N 2 1 303.450 2.644 20 30 DFEDMP C[C@@H](CC[NH+]1CC[C@](C)(C#N)C1)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841830 399109086 /nfs/dbraw/zinc/10/90/86/399109086.db2.gz ORNHLSKVVUPUOK-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@H](CC[NH+]1CC[C@@](C)(C#N)C1)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841830 399109090 /nfs/dbraw/zinc/10/90/90/399109090.db2.gz ORNHLSKVVUPUOK-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@H](CC[NH+]1CC[C@@](C)(C#N)C1)CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841830 399109093 /nfs/dbraw/zinc/10/90/93/399109093.db2.gz ORNHLSKVVUPUOK-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000265199315 204449840 /nfs/dbraw/zinc/44/98/40/204449840.db2.gz AKTPARIBJYXMNE-HOTGVXAUSA-N 2 1 309.498 2.532 20 30 DFEDMP C=CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000623086269 399324228 /nfs/dbraw/zinc/32/42/28/399324228.db2.gz GHYYQBADIDBTPL-UHFFFAOYSA-N 2 1 305.809 2.971 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000602501284 399461902 /nfs/dbraw/zinc/46/19/02/399461902.db2.gz FFMAIICBHHCNSB-INIZCTEOSA-N 2 1 301.434 2.548 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000602520898 399467189 /nfs/dbraw/zinc/46/71/89/399467189.db2.gz KYSSKRIMYRQZCJ-IAGOWNOFSA-N 2 1 315.461 2.937 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000602520898 399467191 /nfs/dbraw/zinc/46/71/91/399467191.db2.gz KYSSKRIMYRQZCJ-IAGOWNOFSA-N 2 1 315.461 2.937 20 30 DFEDMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C2)nc(C)[nH+]1 ZINC000602540025 399471070 /nfs/dbraw/zinc/47/10/70/399471070.db2.gz IRXJMMBUWABXKE-CZUORRHYSA-N 2 1 301.438 2.592 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602597951 399487126 /nfs/dbraw/zinc/48/71/26/399487126.db2.gz VHRVHLRHIXPXAH-QFBILLFUSA-N 2 1 315.461 2.673 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000156498999 197117821 /nfs/dbraw/zinc/11/78/21/197117821.db2.gz PODUJSCRIHYVEO-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000156498999 197117822 /nfs/dbraw/zinc/11/78/22/197117822.db2.gz PODUJSCRIHYVEO-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000156498999 197117823 /nfs/dbraw/zinc/11/78/23/197117823.db2.gz PODUJSCRIHYVEO-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CC#CCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000155487642 197059391 /nfs/dbraw/zinc/05/93/91/197059391.db2.gz HXLKOVYWMPMYPP-HXUWFJFHSA-N 2 1 314.473 2.777 20 30 DFEDMP CC[C@H](CC#N)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000613044430 399783659 /nfs/dbraw/zinc/78/36/59/399783659.db2.gz FLZHZQCFASIKEI-QGZVFWFLSA-N 2 1 301.434 2.943 20 30 DFEDMP CC[NH+]1CCC([N@H+](CCOc2cccc(C#N)c2)C2CC2)CC1 ZINC000371261494 150012477 /nfs/dbraw/zinc/01/24/77/150012477.db2.gz ZAPISCSUNQZYEY-UHFFFAOYSA-N 2 1 313.445 2.886 20 30 DFEDMP CC[NH+]1CCC([N@@H+](CCOc2cccc(C#N)c2)C2CC2)CC1 ZINC000371261494 150012480 /nfs/dbraw/zinc/01/24/80/150012480.db2.gz ZAPISCSUNQZYEY-UHFFFAOYSA-N 2 1 313.445 2.886 20 30 DFEDMP C[C@H]1C[NH+](CCC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343315765 335070790 /nfs/dbraw/zinc/07/07/90/335070790.db2.gz RBHKYZMGDVIZSH-HOTGVXAUSA-N 2 1 305.466 2.501 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000125490925 425974949 /nfs/dbraw/zinc/97/49/49/425974949.db2.gz WJHSUNCABCKODC-UHFFFAOYSA-N 2 1 323.444 2.666 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000128677772 426128217 /nfs/dbraw/zinc/12/82/17/426128217.db2.gz VHTFNOGSKFBJER-VQIMIIECSA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000128677772 426128218 /nfs/dbraw/zinc/12/82/18/426128218.db2.gz VHTFNOGSKFBJER-VQIMIIECSA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000128677772 426128223 /nfs/dbraw/zinc/12/82/23/426128223.db2.gz VHTFNOGSKFBJER-VQIMIIECSA-N 2 1 315.461 2.989 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)s1 ZINC000134979407 426202334 /nfs/dbraw/zinc/20/23/34/426202334.db2.gz FSNWHRSRDHDUIM-KGLIPLIRSA-N 2 1 319.474 2.771 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000132508221 426169758 /nfs/dbraw/zinc/16/97/58/426169758.db2.gz XENQGRIOJQJMQK-RBUKOAKNSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000132508221 426169765 /nfs/dbraw/zinc/16/97/65/426169765.db2.gz XENQGRIOJQJMQK-RBUKOAKNSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000132508221 426169766 /nfs/dbraw/zinc/16/97/66/426169766.db2.gz XENQGRIOJQJMQK-RBUKOAKNSA-N 2 1 302.462 2.767 20 30 DFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863614 426786563 /nfs/dbraw/zinc/78/65/63/426786563.db2.gz LIPIWELVVDZAHW-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863614 426786567 /nfs/dbraw/zinc/78/65/67/426786567.db2.gz LIPIWELVVDZAHW-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863614 426786572 /nfs/dbraw/zinc/78/65/72/426786572.db2.gz LIPIWELVVDZAHW-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266863614 426786576 /nfs/dbraw/zinc/78/65/76/426786576.db2.gz LIPIWELVVDZAHW-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000246224563 426810744 /nfs/dbraw/zinc/81/07/44/426810744.db2.gz PODKJDYKWGICNK-YOEHRIQHSA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000246224563 426810749 /nfs/dbraw/zinc/81/07/49/426810749.db2.gz PODKJDYKWGICNK-YOEHRIQHSA-N 2 1 321.490 2.846 20 30 DFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278999298 427526861 /nfs/dbraw/zinc/52/68/61/427526861.db2.gz RDIIZDDXPKJZDP-CVEARBPZSA-N 2 1 309.413 2.808 20 30 DFEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCC#N ZINC000294255531 427601594 /nfs/dbraw/zinc/60/15/94/427601594.db2.gz UTUCANJRZLALNF-SFHVURJKSA-N 2 1 315.461 2.807 20 30 DFEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCC#N ZINC000294255531 427601602 /nfs/dbraw/zinc/60/16/02/427601602.db2.gz UTUCANJRZLALNF-SFHVURJKSA-N 2 1 315.461 2.807 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264107497 427658104 /nfs/dbraw/zinc/65/81/04/427658104.db2.gz ODMUPPAXZUDXGK-RHSMWYFYSA-N 2 1 318.465 2.535 20 30 DFEDMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C#N)cc1Cl ZINC000369614671 428015966 /nfs/dbraw/zinc/01/59/66/428015966.db2.gz GXJSWSKXZJXVAZ-AEGPPILISA-N 2 1 319.836 2.725 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(OC)c1O ZINC000346693856 428277623 /nfs/dbraw/zinc/27/76/23/428277623.db2.gz QEAVSRKAWKPGNC-INIZCTEOSA-N 2 1 306.450 2.935 20 30 DFEDMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000370725616 428283554 /nfs/dbraw/zinc/28/35/54/428283554.db2.gz ULWWFBLBLJVWBL-MRXNPFEDSA-N 2 1 310.401 2.550 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC[N@@H+]1C ZINC000370634310 428260581 /nfs/dbraw/zinc/26/05/81/428260581.db2.gz KUKFUTDGTCJSNS-NXHRZFHOSA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC[N@H+]1C ZINC000370634310 428260595 /nfs/dbraw/zinc/26/05/95/428260595.db2.gz KUKFUTDGTCJSNS-NXHRZFHOSA-N 2 1 312.461 2.599 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000370644316 428261438 /nfs/dbraw/zinc/26/14/38/428261438.db2.gz WSBQBEVAWWFBAO-QGZVFWFLSA-N 2 1 324.428 2.918 20 30 DFEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357091273 428381722 /nfs/dbraw/zinc/38/17/22/428381722.db2.gz WYEYRGYGVUWDGT-MRXNPFEDSA-N 2 1 321.509 2.511 20 30 DFEDMP C[NH+](C)CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000342733399 428439612 /nfs/dbraw/zinc/43/96/12/428439612.db2.gz UAYOKJWMQCTWDB-INIZCTEOSA-N 2 1 313.449 2.662 20 30 DFEDMP C[N@H+]1C[C@@H]2CN(Cc3ccc(C#N)o3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360776649 428432944 /nfs/dbraw/zinc/43/29/44/428432944.db2.gz FOQHNEOTKPHJGM-MNEFBYGVSA-N 2 1 307.397 2.886 20 30 DFEDMP C=CCCC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353322506 428484946 /nfs/dbraw/zinc/48/49/46/428484946.db2.gz CFIZZEOZSSHZDZ-KAKFPZCNSA-N 2 1 305.510 2.974 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000373037950 428514549 /nfs/dbraw/zinc/51/45/49/428514549.db2.gz RRQMUVAXJVZESB-WBVHZDCISA-N 2 1 301.434 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000373037950 428514555 /nfs/dbraw/zinc/51/45/55/428514555.db2.gz RRQMUVAXJVZESB-WBVHZDCISA-N 2 1 301.434 2.894 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000361529332 428574013 /nfs/dbraw/zinc/57/40/13/428574013.db2.gz DPAPTHFMNFIALJ-UHFFFAOYSA-N 2 1 316.449 2.932 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584480 274354858 /nfs/dbraw/zinc/35/48/58/274354858.db2.gz CHAOJYRFBRWUPH-UZLBHIALSA-N 2 1 322.456 2.897 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276584480 274354860 /nfs/dbraw/zinc/35/48/60/274354860.db2.gz CHAOJYRFBRWUPH-UZLBHIALSA-N 2 1 322.456 2.897 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000354092456 428858327 /nfs/dbraw/zinc/85/83/27/428858327.db2.gz NZWLOMDUIBVCCZ-INIZCTEOSA-N 2 1 308.466 2.738 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000363616710 428954845 /nfs/dbraw/zinc/95/48/45/428954845.db2.gz NJJQYEROMWDUCS-IAGOWNOFSA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000363616710 428954852 /nfs/dbraw/zinc/95/48/52/428954852.db2.gz NJJQYEROMWDUCS-IAGOWNOFSA-N 2 1 316.445 2.976 20 30 DFEDMP C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@H]1CCCC[NH2+]1 ZINC000422997242 429053689 /nfs/dbraw/zinc/05/36/89/429053689.db2.gz USBDAOFCVZFCGV-WMLDXEAASA-N 2 1 303.475 2.912 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000453348707 429148508 /nfs/dbraw/zinc/14/85/08/429148508.db2.gz IAJJYHNJGRWMCJ-WAPOTWQKSA-N 2 1 312.457 2.830 20 30 DFEDMP COc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1C#N ZINC000440625935 429226493 /nfs/dbraw/zinc/22/64/93/429226493.db2.gz PQLSKKUXVUEGBO-OAHLLOKOSA-N 2 1 301.434 2.921 20 30 DFEDMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442776841 429235209 /nfs/dbraw/zinc/23/52/09/429235209.db2.gz DUWFJOYSBAWBGK-UHOSZYNNSA-N 2 1 315.461 2.978 20 30 DFEDMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442776841 429235214 /nfs/dbraw/zinc/23/52/14/429235214.db2.gz DUWFJOYSBAWBGK-UHOSZYNNSA-N 2 1 315.461 2.978 20 30 DFEDMP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C#N)cn1 ZINC000425255140 429252800 /nfs/dbraw/zinc/25/28/00/429252800.db2.gz MRPUDHZLOBASQI-QGZVFWFLSA-N 2 1 321.428 2.615 20 30 DFEDMP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364715000 429256353 /nfs/dbraw/zinc/25/63/53/429256353.db2.gz RMSBSINTDZLDMD-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364715000 429256358 /nfs/dbraw/zinc/25/63/58/429256358.db2.gz RMSBSINTDZLDMD-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443969576 429259089 /nfs/dbraw/zinc/25/90/89/429259089.db2.gz PXUFOVLUOAEWCH-CALCHBBNSA-N 2 1 315.461 2.846 20 30 DFEDMP CC1(C#N)CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000449130706 429340591 /nfs/dbraw/zinc/34/05/91/429340591.db2.gz HJVQSTRQESYZBA-UHFFFAOYSA-N 2 1 305.466 2.693 20 30 DFEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000365401330 429313376 /nfs/dbraw/zinc/31/33/76/429313376.db2.gz DDTBZNBAOFOLEK-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000491652147 429385303 /nfs/dbraw/zinc/38/53/03/429385303.db2.gz ACGLNCMJRNDJJD-KFKAGJAMSA-N 2 1 300.446 2.732 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000491652147 429385307 /nfs/dbraw/zinc/38/53/07/429385307.db2.gz ACGLNCMJRNDJJD-KFKAGJAMSA-N 2 1 300.446 2.732 20 30 DFEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430589616 429697761 /nfs/dbraw/zinc/69/77/61/429697761.db2.gz FFJSWJZBQQSCLN-UHFFFAOYSA-N 2 1 319.474 2.574 20 30 DFEDMP C=CCCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000571342908 430622008 /nfs/dbraw/zinc/62/20/08/430622008.db2.gz NINHZTNKMURHLN-UHFFFAOYSA-N 2 1 321.509 2.607 20 30 DFEDMP C=CCCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000649457946 431106541 /nfs/dbraw/zinc/10/65/41/431106541.db2.gz BDHZBIVSUHIXKF-LJQANCHMSA-N 2 1 302.462 2.912 20 30 DFEDMP C=CCCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000649457946 431106544 /nfs/dbraw/zinc/10/65/44/431106544.db2.gz BDHZBIVSUHIXKF-LJQANCHMSA-N 2 1 302.462 2.912 20 30 DFEDMP C=CCCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000649457946 431106550 /nfs/dbraw/zinc/10/65/50/431106550.db2.gz BDHZBIVSUHIXKF-LJQANCHMSA-N 2 1 302.462 2.912 20 30 DFEDMP C=CCCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000649457946 431106555 /nfs/dbraw/zinc/10/65/55/431106555.db2.gz BDHZBIVSUHIXKF-LJQANCHMSA-N 2 1 302.462 2.912 20 30 DFEDMP C=CC[C@]1(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC[NH2+]1 ZINC000662789021 431195374 /nfs/dbraw/zinc/19/53/74/431195374.db2.gz ZKTOLDYLXKYEOE-SFNKJDCFSA-N 2 1 319.493 2.549 20 30 DFEDMP C=CCCn1cc(CN2CCC(C[N@H+](C)CCCC)CC2)nn1 ZINC000653499254 431404140 /nfs/dbraw/zinc/40/41/40/431404140.db2.gz BIERDIAUSSARSV-UHFFFAOYSA-N 2 1 319.497 2.798 20 30 DFEDMP C=CCCn1cc(C[NH+]2CCC(C[N@@H+](C)CCCC)CC2)nn1 ZINC000653499254 431404147 /nfs/dbraw/zinc/40/41/47/431404147.db2.gz BIERDIAUSSARSV-UHFFFAOYSA-N 2 1 319.497 2.798 20 30 DFEDMP C=CCCn1cc(C[NH+]2CCC(C[N@H+](C)CCCC)CC2)nn1 ZINC000653499254 431404154 /nfs/dbraw/zinc/40/41/54/431404154.db2.gz BIERDIAUSSARSV-UHFFFAOYSA-N 2 1 319.497 2.798 20 30 DFEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000577121312 318172697 /nfs/dbraw/zinc/17/26/97/318172697.db2.gz CXYVHTLKOVBSDP-SJLPKXTDSA-N 2 1 300.450 2.943 20 30 DFEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000103338107 332237496 /nfs/dbraw/zinc/23/74/96/332237496.db2.gz RWZCDOQDVKOLQE-QGZVFWFLSA-N 2 1 314.433 2.556 20 30 DFEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000104180759 332244619 /nfs/dbraw/zinc/24/46/19/332244619.db2.gz JQYAZPNNKHZREE-AWEZNQCLSA-N 2 1 308.495 2.520 20 30 DFEDMP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000364026957 333222253 /nfs/dbraw/zinc/22/22/53/333222253.db2.gz BNRCENZLHPXWCO-MJGOQNOKSA-N 2 1 312.461 2.760 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364674382 333326045 /nfs/dbraw/zinc/32/60/45/333326045.db2.gz SARCNSXMFXYFQR-GOSISDBHSA-N 2 1 323.440 2.980 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364674382 333326046 /nfs/dbraw/zinc/32/60/46/333326046.db2.gz SARCNSXMFXYFQR-GOSISDBHSA-N 2 1 323.440 2.980 20 30 DFEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N(C)C2CC2)c2cccs2)CC1 ZINC000262236330 333851497 /nfs/dbraw/zinc/85/14/97/333851497.db2.gz NDSFDZOZAZDBJD-HNNXBMFYSA-N 2 1 320.506 2.930 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343545643 335171116 /nfs/dbraw/zinc/17/11/16/335171116.db2.gz YYZHZYDHYSMBIB-IBGZPJMESA-N 2 1 315.461 2.685 20 30 DFEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414684272 334068486 /nfs/dbraw/zinc/06/84/86/334068486.db2.gz CYRLGOGFRWGYIE-GOEBONIOSA-N 2 1 303.406 2.971 20 30 DFEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000298404460 334248228 /nfs/dbraw/zinc/24/82/28/334248228.db2.gz KKLRWEUIGMXSBH-UHFFFAOYSA-N 2 1 302.466 2.856 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000344683891 335266501 /nfs/dbraw/zinc/26/65/01/335266501.db2.gz OKJKFHIDQBMEAE-CJNGLKHVSA-N 2 1 304.434 2.702 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000344683891 335266502 /nfs/dbraw/zinc/26/65/02/335266502.db2.gz OKJKFHIDQBMEAE-CJNGLKHVSA-N 2 1 304.434 2.702 20 30 DFEDMP C[C@H](C(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCCCCC1 ZINC000329923056 336095941 /nfs/dbraw/zinc/09/59/41/336095941.db2.gz UGEALKUUQYYNLH-CABCVRRESA-N 2 1 304.438 2.667 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)NC1CCCC1 ZINC000103905702 336383097 /nfs/dbraw/zinc/38/30/97/336383097.db2.gz LOIHZSWHAZLHEK-INIZCTEOSA-N 2 1 318.465 2.833 20 30 DFEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000377707299 337059135 /nfs/dbraw/zinc/05/91/35/337059135.db2.gz WEGRBBAPOYNEEM-PMACEKPBSA-N 2 1 305.425 2.846 20 30 DFEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000377707299 337059136 /nfs/dbraw/zinc/05/91/36/337059136.db2.gz WEGRBBAPOYNEEM-PMACEKPBSA-N 2 1 305.425 2.846 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCSCC#N)C2)[nH+]1 ZINC000173897368 337138825 /nfs/dbraw/zinc/13/88/25/337138825.db2.gz AGWGTUHKPFFYHP-HNNXBMFYSA-N 2 1 304.463 2.771 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCSCC#N)C2)[nH+]1 ZINC000173897368 337138826 /nfs/dbraw/zinc/13/88/26/337138826.db2.gz AGWGTUHKPFFYHP-HNNXBMFYSA-N 2 1 304.463 2.771 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH2+]CC)CC2)c1C ZINC000420293729 337498511 /nfs/dbraw/zinc/49/85/11/337498511.db2.gz RSKZGLMLXVWTET-UHFFFAOYSA-N 2 1 317.477 2.795 20 30 DFEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000261997714 337613955 /nfs/dbraw/zinc/61/39/55/337613955.db2.gz ONXLODAUNRMSIU-GDBMZVCRSA-N 2 1 318.465 2.772 20 30 DFEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432354393 338153894 /nfs/dbraw/zinc/15/38/94/338153894.db2.gz WRUVGRXFJSSJRZ-KRWDZBQOSA-N 2 1 318.461 2.842 20 30 DFEDMP C=CCCC[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684301 338245146 /nfs/dbraw/zinc/24/51/46/338245146.db2.gz SEBKQZPJIBRXQP-MRXNPFEDSA-N 2 1 302.466 2.813 20 30 DFEDMP C=CCCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000556249077 341499120 /nfs/dbraw/zinc/49/91/20/341499120.db2.gz ISSXPBPOUYJTEV-ROUUACIJSA-N 2 1 324.509 2.933 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984158 398378007 /nfs/dbraw/zinc/37/80/07/398378007.db2.gz GWFBXZPNIPXLLM-HIFRSBDPSA-N 2 1 308.495 2.835 20 30 DFEDMP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000596425174 398409225 /nfs/dbraw/zinc/40/92/25/398409225.db2.gz OEBJEHDSDVWPJC-UHFFFAOYSA-N 2 1 317.481 2.546 20 30 DFEDMP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000596425174 398409228 /nfs/dbraw/zinc/40/92/28/398409228.db2.gz OEBJEHDSDVWPJC-UHFFFAOYSA-N 2 1 317.481 2.546 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181774989 199351264 /nfs/dbraw/zinc/35/12/64/199351264.db2.gz JAZITIKUSUIVOL-DOTOQJQBSA-N 2 1 313.445 2.710 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786140 398674118 /nfs/dbraw/zinc/67/41/18/398674118.db2.gz BXYPZJZTNGMFGF-QGZVFWFLSA-N 2 1 323.525 2.852 20 30 DFEDMP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593943348 398706143 /nfs/dbraw/zinc/70/61/43/398706143.db2.gz MJZCVORAOLBTHL-HNNXBMFYSA-N 2 1 313.405 2.882 20 30 DFEDMP N#Cc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000372206051 283216404 /nfs/dbraw/zinc/21/64/04/283216404.db2.gz YQKAISDGUWPQFZ-GBESFXJTSA-N 2 1 324.472 2.743 20 30 DFEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000598590004 398836901 /nfs/dbraw/zinc/83/69/01/398836901.db2.gz NMYRGJMROIPSKD-ROUUACIJSA-N 2 1 321.509 2.875 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592330 398837680 /nfs/dbraw/zinc/83/76/80/398837680.db2.gz JPISBPJNVBRMBB-FGTMMUONSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592330 398837686 /nfs/dbraw/zinc/83/76/86/398837686.db2.gz JPISBPJNVBRMBB-FGTMMUONSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592330 398837689 /nfs/dbraw/zinc/83/76/89/398837689.db2.gz JPISBPJNVBRMBB-FGTMMUONSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908208 399130541 /nfs/dbraw/zinc/13/05/41/399130541.db2.gz ZUFSASSIWRTAOM-YJBOKZPZSA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908208 399130543 /nfs/dbraw/zinc/13/05/43/399130543.db2.gz ZUFSASSIWRTAOM-YJBOKZPZSA-N 2 1 301.434 2.662 20 30 DFEDMP N#CCc1cccc2c1CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000600748976 399133698 /nfs/dbraw/zinc/13/36/98/399133698.db2.gz GEYBZPYOVGNEHW-UHFFFAOYSA-N 2 1 317.436 2.957 20 30 DFEDMP C=CCc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(OC)c1O ZINC000264975988 204318138 /nfs/dbraw/zinc/31/81/38/204318138.db2.gz SGHHGRZCEKGYMB-UHFFFAOYSA-N 2 1 315.417 2.814 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285469642 335026507 /nfs/dbraw/zinc/02/65/07/335026507.db2.gz HKGFKKIXWUKMEJ-WOJBJXKFSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469642 335026508 /nfs/dbraw/zinc/02/65/08/335026508.db2.gz HKGFKKIXWUKMEJ-WOJBJXKFSA-N 2 1 314.473 2.912 20 30 DFEDMP N#CC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000602504091 399462532 /nfs/dbraw/zinc/46/25/32/399462532.db2.gz RWQVDOBPJZRJLZ-UHFFFAOYSA-N 2 1 313.445 2.691 20 30 DFEDMP C=CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000287396320 335045687 /nfs/dbraw/zinc/04/56/87/335045687.db2.gz IWPXNJVRKVZQOU-MRXNPFEDSA-N 2 1 305.466 2.903 20 30 DFEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544003 399471834 /nfs/dbraw/zinc/47/18/34/399471834.db2.gz GRKVKEFCCCTQEI-IRXDYDNUSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602635463 399498375 /nfs/dbraw/zinc/49/83/75/399498375.db2.gz FJPGVAKJGMENFU-PKOBYXMFSA-N 2 1 315.461 2.807 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602635463 399498379 /nfs/dbraw/zinc/49/83/79/399498379.db2.gz FJPGVAKJGMENFU-PKOBYXMFSA-N 2 1 315.461 2.807 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844318 399598847 /nfs/dbraw/zinc/59/88/47/399598847.db2.gz AIPZIKRBDUMDTB-UHFFFAOYSA-N 2 1 322.412 2.674 20 30 DFEDMP CC#CCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000155487527 197059478 /nfs/dbraw/zinc/05/94/78/197059478.db2.gz HXLKOVYWMPMYPP-FQEVSTJZSA-N 2 1 314.473 2.777 20 30 DFEDMP C[NH+]1CCC2(CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000602875843 399612503 /nfs/dbraw/zinc/61/25/03/399612503.db2.gz AWPXJPCQWUZKQC-UHFFFAOYSA-N 2 1 313.445 2.745 20 30 DFEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358086707 148237808 /nfs/dbraw/zinc/23/78/08/148237808.db2.gz OJKZECGMRJIBGS-WMLDXEAASA-N 2 1 303.475 2.721 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421790 150170616 /nfs/dbraw/zinc/17/06/16/150170616.db2.gz XNVHLMMCOWSBEW-GOSISDBHSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421790 150170620 /nfs/dbraw/zinc/17/06/20/150170620.db2.gz XNVHLMMCOWSBEW-GOSISDBHSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421790 150170622 /nfs/dbraw/zinc/17/06/22/150170622.db2.gz XNVHLMMCOWSBEW-GOSISDBHSA-N 2 1 312.461 2.555 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421791 150170759 /nfs/dbraw/zinc/17/07/59/150170759.db2.gz XNVHLMMCOWSBEW-SFHVURJKSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421791 150170761 /nfs/dbraw/zinc/17/07/61/150170761.db2.gz XNVHLMMCOWSBEW-SFHVURJKSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372421791 150170763 /nfs/dbraw/zinc/17/07/63/150170763.db2.gz XNVHLMMCOWSBEW-SFHVURJKSA-N 2 1 312.461 2.555 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290643698 335074226 /nfs/dbraw/zinc/07/42/26/335074226.db2.gz YPWMDUNDEINIGA-LPHOPBHVSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290643698 335074227 /nfs/dbraw/zinc/07/42/27/335074227.db2.gz YPWMDUNDEINIGA-LPHOPBHVSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290643698 335074228 /nfs/dbraw/zinc/07/42/28/335074228.db2.gz YPWMDUNDEINIGA-LPHOPBHVSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290643698 335074229 /nfs/dbraw/zinc/07/42/29/335074229.db2.gz YPWMDUNDEINIGA-LPHOPBHVSA-N 2 1 300.446 2.861 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000106245916 425971267 /nfs/dbraw/zinc/97/12/67/425971267.db2.gz URZXTCJVUPUVIY-UHFFFAOYSA-N 2 1 301.434 2.775 20 30 DFEDMP CCNC(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)=[NH+]CC ZINC000161528255 426028321 /nfs/dbraw/zinc/02/83/21/426028321.db2.gz YDDMPBCEGTVVLI-AWEZNQCLSA-N 2 1 308.495 2.535 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)s1 ZINC000134979391 426201643 /nfs/dbraw/zinc/20/16/43/426201643.db2.gz FSNWHRSRDHDUIM-KBPBESRZSA-N 2 1 319.474 2.771 20 30 DFEDMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000123643562 426444564 /nfs/dbraw/zinc/44/45/64/426444564.db2.gz KJVMFNGIWAVOEN-QGZVFWFLSA-N 2 1 324.428 2.625 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266578618 426744092 /nfs/dbraw/zinc/74/40/92/426744092.db2.gz GWUQDFRHVOCXLC-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266578618 426744097 /nfs/dbraw/zinc/74/40/97/426744097.db2.gz GWUQDFRHVOCXLC-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ccc1C#N ZINC000281736175 426753293 /nfs/dbraw/zinc/75/32/93/426753293.db2.gz QFFCFCUDFSMAAP-HNNXBMFYSA-N 2 1 301.434 2.778 20 30 DFEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274856851 426850859 /nfs/dbraw/zinc/85/08/59/426850859.db2.gz SIXMMWXRLSGBRD-NEWSRXKRSA-N 2 1 302.462 2.814 20 30 DFEDMP O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000328945490 427014924 /nfs/dbraw/zinc/01/49/24/427014924.db2.gz MCQHSZFSLINYSQ-UONOGXRCSA-N 2 1 316.449 2.878 20 30 DFEDMP O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000328945490 427014934 /nfs/dbraw/zinc/01/49/34/427014934.db2.gz MCQHSZFSLINYSQ-UONOGXRCSA-N 2 1 316.449 2.878 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248819699 427047644 /nfs/dbraw/zinc/04/76/44/427047644.db2.gz FGZSYCLMNQKBPN-AZUAARDMSA-N 2 1 314.473 2.765 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248819699 427047650 /nfs/dbraw/zinc/04/76/50/427047650.db2.gz FGZSYCLMNQKBPN-AZUAARDMSA-N 2 1 314.473 2.765 20 30 DFEDMP C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276578391 427104961 /nfs/dbraw/zinc/10/49/61/427104961.db2.gz AQLNQALWJYKAJS-QFBILLFUSA-N 2 1 322.456 2.897 20 30 DFEDMP CC[NH+]=C(NCc1ccsc1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261959904 427347696 /nfs/dbraw/zinc/34/76/96/427347696.db2.gz JXHILACDXXRCLL-DZGCQCFKSA-N 2 1 308.495 2.532 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262424945 427357871 /nfs/dbraw/zinc/35/78/71/427357871.db2.gz RANMHYCRUJTLJR-UKRRQHHQSA-N 2 1 306.479 2.611 20 30 DFEDMP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264090747 427655805 /nfs/dbraw/zinc/65/58/05/427655805.db2.gz KXVDAPGOGNHTRP-CYBMUJFWSA-N 2 1 308.495 2.663 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264107493 427658263 /nfs/dbraw/zinc/65/82/63/427658263.db2.gz ODMUPPAXZUDXGK-PBHICJAKSA-N 2 1 318.465 2.535 20 30 DFEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264124905 427662561 /nfs/dbraw/zinc/66/25/61/427662561.db2.gz VYZCUPIQYWSIGC-UHFFFAOYSA-N 2 1 306.454 2.505 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337188127 427812544 /nfs/dbraw/zinc/81/25/44/427812544.db2.gz QBQMSZPQLLBXLP-GOSISDBHSA-N 2 1 319.493 2.751 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337188127 427812547 /nfs/dbraw/zinc/81/25/47/427812547.db2.gz QBQMSZPQLLBXLP-GOSISDBHSA-N 2 1 319.493 2.751 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337188127 427812549 /nfs/dbraw/zinc/81/25/49/427812549.db2.gz QBQMSZPQLLBXLP-GOSISDBHSA-N 2 1 319.493 2.751 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337188129 427812743 /nfs/dbraw/zinc/81/27/43/427812743.db2.gz QBQMSZPQLLBXLP-SFHVURJKSA-N 2 1 319.493 2.751 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337188129 427812745 /nfs/dbraw/zinc/81/27/45/427812745.db2.gz QBQMSZPQLLBXLP-SFHVURJKSA-N 2 1 319.493 2.751 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337188129 427812746 /nfs/dbraw/zinc/81/27/46/427812746.db2.gz QBQMSZPQLLBXLP-SFHVURJKSA-N 2 1 319.493 2.751 20 30 DFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000341376273 428052749 /nfs/dbraw/zinc/05/27/49/428052749.db2.gz YAWLHVYRVYACLJ-LNLFQRSKSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000341376273 428052754 /nfs/dbraw/zinc/05/27/54/428052754.db2.gz YAWLHVYRVYACLJ-LNLFQRSKSA-N 2 1 302.462 2.814 20 30 DFEDMP Cn1ccnc1[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000370725615 428285064 /nfs/dbraw/zinc/28/50/64/428285064.db2.gz ULWWFBLBLJVWBL-INIZCTEOSA-N 2 1 310.401 2.550 20 30 DFEDMP C=CCCC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353322505 428485814 /nfs/dbraw/zinc/48/58/14/428485814.db2.gz CFIZZEOZSSHZDZ-HTUJPFKRSA-N 2 1 305.510 2.974 20 30 DFEDMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)[NH+]1CCCC1 ZINC000373224181 428523286 /nfs/dbraw/zinc/52/32/86/428523286.db2.gz PYDRIGKUIVKJSC-ICUGJSFKSA-N 2 1 305.466 2.690 20 30 DFEDMP CN(C)C(NCc1ccccc1)=[NH+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000361802596 428599043 /nfs/dbraw/zinc/59/90/43/428599043.db2.gz BUOHRKBLQLLNPE-AYHJJNSGSA-N 2 1 314.477 2.567 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348121814 428637258 /nfs/dbraw/zinc/63/72/58/428637258.db2.gz RRVFNAPWCORYMK-KBPBESRZSA-N 2 1 306.372 2.726 20 30 DFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422983203 429053642 /nfs/dbraw/zinc/05/36/42/429053642.db2.gz YWZBPIHHYKVNPL-IPMKNSEASA-N 3 1 305.510 2.927 20 30 DFEDMP C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CCCC[NH2+]1 ZINC000422997240 429054043 /nfs/dbraw/zinc/05/40/43/429054043.db2.gz USBDAOFCVZFCGV-PBHICJAKSA-N 2 1 303.475 2.912 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588708 429304375 /nfs/dbraw/zinc/30/43/75/429304375.db2.gz VZOJMHZVUVTKCL-YSTOQKLRSA-N 2 1 314.473 2.956 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000491651672 429385506 /nfs/dbraw/zinc/38/55/06/429385506.db2.gz IDFUZMXZGIRFRH-VQIMIIECSA-N 2 1 318.436 2.838 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000491651672 429385509 /nfs/dbraw/zinc/38/55/09/429385509.db2.gz IDFUZMXZGIRFRH-VQIMIIECSA-N 2 1 318.436 2.838 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366867253 429529675 /nfs/dbraw/zinc/52/96/75/429529675.db2.gz UWSBQFRVBCDIFZ-UHFFFAOYSA-N 2 1 313.445 2.875 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369216880 429919897 /nfs/dbraw/zinc/91/98/97/429919897.db2.gz YHXGTMGNNQEVBT-UHFFFAOYSA-N 2 1 323.444 2.924 20 30 DFEDMP C=C(CNC[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644647271 430778151 /nfs/dbraw/zinc/77/81/51/430778151.db2.gz KWWROAJSNSTEHW-FQEVSTJZSA-N 2 1 310.441 2.782 20 30 DFEDMP C=C(CNC[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644647271 430778154 /nfs/dbraw/zinc/77/81/54/430778154.db2.gz KWWROAJSNSTEHW-FQEVSTJZSA-N 2 1 310.441 2.782 20 30 DFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651720210 430858657 /nfs/dbraw/zinc/85/86/57/430858657.db2.gz TVEJMSYXZYHSEC-MISYRCLQSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651720210 430858662 /nfs/dbraw/zinc/85/86/62/430858662.db2.gz TVEJMSYXZYHSEC-MISYRCLQSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000649457945 431107045 /nfs/dbraw/zinc/10/70/45/431107045.db2.gz BDHZBIVSUHIXKF-IBGZPJMESA-N 2 1 302.462 2.912 20 30 DFEDMP C=CCCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000649457945 431107048 /nfs/dbraw/zinc/10/70/48/431107048.db2.gz BDHZBIVSUHIXKF-IBGZPJMESA-N 2 1 302.462 2.912 20 30 DFEDMP C=CCCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000649457945 431107052 /nfs/dbraw/zinc/10/70/52/431107052.db2.gz BDHZBIVSUHIXKF-IBGZPJMESA-N 2 1 302.462 2.912 20 30 DFEDMP C=CCCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000649457945 431107056 /nfs/dbraw/zinc/10/70/56/431107056.db2.gz BDHZBIVSUHIXKF-IBGZPJMESA-N 2 1 302.462 2.912 20 30 DFEDMP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000661381236 431838912 /nfs/dbraw/zinc/83/89/12/431838912.db2.gz YCGPOUZAMAPOJD-PKOBYXMFSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000661381236 431838914 /nfs/dbraw/zinc/83/89/14/431838914.db2.gz YCGPOUZAMAPOJD-PKOBYXMFSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381236 431838917 /nfs/dbraw/zinc/83/89/17/431838917.db2.gz YCGPOUZAMAPOJD-PKOBYXMFSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381236 431838919 /nfs/dbraw/zinc/83/89/19/431838919.db2.gz YCGPOUZAMAPOJD-PKOBYXMFSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292821925 335096033 /nfs/dbraw/zinc/09/60/33/335096033.db2.gz QDBYAMDVPQQQQY-IBGZPJMESA-N 2 1 316.445 2.788 20 30 DFEDMP CC[N@@H+](C)Cc1cccc(CNC(NCc2ccco2)=[NH+]C)c1 ZINC000103338308 332237640 /nfs/dbraw/zinc/23/76/40/332237640.db2.gz VUVDPVUBWHIJQE-UHFFFAOYSA-N 2 1 314.433 2.597 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCCC1 ZINC000103905746 332242301 /nfs/dbraw/zinc/24/23/01/332242301.db2.gz UYAHMGORQZTART-HNNXBMFYSA-N 2 1 304.438 2.524 20 30 DFEDMP CN(CC#CC[N@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000560160302 332316491 /nfs/dbraw/zinc/31/64/91/332316491.db2.gz ZTDLCOQWOLLBHT-UHFFFAOYSA-N 2 1 324.424 2.665 20 30 DFEDMP CN(CC#CC[N@@H+](C)Cc1cccc(O)c1)Cc1cccc(O)c1 ZINC000560160302 332316492 /nfs/dbraw/zinc/31/64/92/332316492.db2.gz ZTDLCOQWOLLBHT-UHFFFAOYSA-N 2 1 324.424 2.665 20 30 DFEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC ZINC000237321693 332342297 /nfs/dbraw/zinc/34/22/97/332342297.db2.gz IIMZICOHMVNTEU-UHFFFAOYSA-N 2 1 304.434 2.834 20 30 DFEDMP C#CC[N@@H+](C)CCCNC(=O)c1cccc(Oc2ccncc2)c1 ZINC000293945297 335116206 /nfs/dbraw/zinc/11/62/06/335116206.db2.gz JOSUQJBWCHSNDC-UHFFFAOYSA-N 2 1 323.396 2.559 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910353 333042356 /nfs/dbraw/zinc/04/23/56/333042356.db2.gz LWUCFBOUOQUNMP-OKILXGFUSA-N 2 1 303.454 2.565 20 30 DFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000364026956 333222180 /nfs/dbraw/zinc/22/21/80/333222180.db2.gz BNRCENZLHPXWCO-IEBWSBKVSA-N 2 1 312.461 2.760 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272695309 334039161 /nfs/dbraw/zinc/03/91/61/334039161.db2.gz XQGRCVRHSXRXSL-MJGOQNOKSA-N 2 1 312.461 2.562 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272695309 334039162 /nfs/dbraw/zinc/03/91/62/334039162.db2.gz XQGRCVRHSXRXSL-MJGOQNOKSA-N 2 1 312.461 2.562 20 30 DFEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288778458 334162123 /nfs/dbraw/zinc/16/21/23/334162123.db2.gz VXXGNUMIYXVMPT-LBPRGKRZSA-N 2 1 310.392 2.812 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288778452 334162170 /nfs/dbraw/zinc/16/21/70/334162170.db2.gz VXXGNUMIYXVMPT-GFCCVEGCSA-N 2 1 310.392 2.812 20 30 DFEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484594 334173120 /nfs/dbraw/zinc/17/31/20/334173120.db2.gz OEMZMOPRLCQNRV-VQIMIIECSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484594 334173121 /nfs/dbraw/zinc/17/31/21/334173121.db2.gz OEMZMOPRLCQNRV-VQIMIIECSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484594 334173123 /nfs/dbraw/zinc/17/31/23/334173123.db2.gz OEMZMOPRLCQNRV-VQIMIIECSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484594 334173125 /nfs/dbraw/zinc/17/31/25/334173125.db2.gz OEMZMOPRLCQNRV-VQIMIIECSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[C@@H]([N@@H+](C)CCOCCC#N)CCN1Cc1ccccc1 ZINC000292703231 334191179 /nfs/dbraw/zinc/19/11/79/334191179.db2.gz DKTWWFHBGQUPHM-HKUYNNGSSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@H]1C[C@@H]([NH+](C)CCOCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000292703231 334191181 /nfs/dbraw/zinc/19/11/81/334191181.db2.gz DKTWWFHBGQUPHM-HKUYNNGSSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@H]1C[C@@H]([NH+](C)CCOCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000292703231 334191182 /nfs/dbraw/zinc/19/11/82/334191182.db2.gz DKTWWFHBGQUPHM-HKUYNNGSSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@H]1C[C@@H]([N@H+](C)CCOCCC#N)CC[NH+]1Cc1ccccc1 ZINC000292703231 334191184 /nfs/dbraw/zinc/19/11/84/334191184.db2.gz DKTWWFHBGQUPHM-HKUYNNGSSA-N 2 1 315.461 2.902 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1O ZINC000415055270 334261755 /nfs/dbraw/zinc/26/17/55/334261755.db2.gz NZNAOOHDKSRAJB-FZKQIMNGSA-N 2 1 304.434 2.546 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000415139331 334285077 /nfs/dbraw/zinc/28/50/77/334285077.db2.gz ZLPAYMHSKDXJLA-CJNGLKHVSA-N 2 1 304.434 2.546 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863444 335242887 /nfs/dbraw/zinc/24/28/87/335242887.db2.gz GQGAOCJCQFXJCN-QGZVFWFLSA-N 2 1 321.509 2.607 20 30 DFEDMP CSC[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CSC ZINC000351225971 336025327 /nfs/dbraw/zinc/02/53/27/336025327.db2.gz MCFXVWRNMGRRPO-HOTGVXAUSA-N 2 1 312.548 2.645 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)C2 ZINC000329846191 336088816 /nfs/dbraw/zinc/08/88/16/336088816.db2.gz OURVTZYKWUSSJK-ZFWWWQNUSA-N 2 1 304.438 2.585 20 30 DFEDMP O=C(NC[C@@H]1CCc2nccn2C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329960521 336100301 /nfs/dbraw/zinc/10/03/01/336100301.db2.gz RDRWRXLZMYGWQK-HOCLYGCPSA-N 2 1 316.449 2.809 20 30 DFEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329960521 336100302 /nfs/dbraw/zinc/10/03/02/336100302.db2.gz RDRWRXLZMYGWQK-HOCLYGCPSA-N 2 1 316.449 2.809 20 30 DFEDMP N#CC1(CCC[NH+]2CCC([NH+]3CCCC3)CC2)CCOCC1 ZINC000373842476 336974272 /nfs/dbraw/zinc/97/42/72/336974272.db2.gz RCKMMSNOXDWHMX-UHFFFAOYSA-N 2 1 305.466 2.647 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000376115573 337027419 /nfs/dbraw/zinc/02/74/19/337027419.db2.gz OTDQUPCZADLGPG-ZBFHGGJFSA-N 2 1 310.401 2.526 20 30 DFEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156830 337190154 /nfs/dbraw/zinc/19/01/54/337190154.db2.gz BXGHTMSNVQBCNK-UONOGXRCSA-N 2 1 312.417 2.522 20 30 DFEDMP C=CCCCCC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496950267 340016849 /nfs/dbraw/zinc/01/68/49/340016849.db2.gz PMIVPNAHVQSRCL-GOSISDBHSA-N 2 1 321.465 2.539 20 30 DFEDMP C=CCCCCC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496950267 340016850 /nfs/dbraw/zinc/01/68/50/340016850.db2.gz PMIVPNAHVQSRCL-GOSISDBHSA-N 2 1 321.465 2.539 20 30 DFEDMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(C#N)cc1 ZINC000278347262 214105726 /nfs/dbraw/zinc/10/57/26/214105726.db2.gz YLUFATPCNRMAPR-GOSISDBHSA-N 2 1 301.434 2.710 20 30 DFEDMP C=CC(C)(C)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000581141030 398388382 /nfs/dbraw/zinc/38/83/82/398388382.db2.gz QPQZUOVSJBXYSF-UHFFFAOYSA-N 2 1 321.509 2.511 20 30 DFEDMP Cc1c(Cl)cnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596361486 398394428 /nfs/dbraw/zinc/39/44/28/398394428.db2.gz UHUZYWDHTNDHHZ-LBPRGKRZSA-N 2 1 323.872 2.599 20 30 DFEDMP Cc1c(Cl)cnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596361486 398394431 /nfs/dbraw/zinc/39/44/31/398394431.db2.gz UHUZYWDHTNDHHZ-LBPRGKRZSA-N 2 1 323.872 2.599 20 30 DFEDMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000596424256 398409202 /nfs/dbraw/zinc/40/92/02/398409202.db2.gz FAGFOBNNBRDRDV-UHFFFAOYSA-N 2 1 310.392 2.791 20 30 DFEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000596424256 398409205 /nfs/dbraw/zinc/40/92/05/398409205.db2.gz FAGFOBNNBRDRDV-UHFFFAOYSA-N 2 1 310.392 2.791 20 30 DFEDMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604849 398638811 /nfs/dbraw/zinc/63/88/11/398638811.db2.gz QERBNTGENVGILA-MAUKXSAKSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604849 398638813 /nfs/dbraw/zinc/63/88/13/398638813.db2.gz QERBNTGENVGILA-MAUKXSAKSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604849 398638814 /nfs/dbraw/zinc/63/88/14/398638814.db2.gz QERBNTGENVGILA-MAUKXSAKSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604849 398638816 /nfs/dbraw/zinc/63/88/16/398638816.db2.gz QERBNTGENVGILA-MAUKXSAKSA-N 2 1 303.450 2.642 20 30 DFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786301 398674309 /nfs/dbraw/zinc/67/43/09/398674309.db2.gz OEUVBHCDHGJKMZ-QGZVFWFLSA-N 2 1 321.509 2.628 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000174228917 198308260 /nfs/dbraw/zinc/30/82/60/198308260.db2.gz INORCYSMIQJIAD-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000174228917 198308262 /nfs/dbraw/zinc/30/82/62/198308262.db2.gz INORCYSMIQJIAD-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592332 398837466 /nfs/dbraw/zinc/83/74/66/398837466.db2.gz JPISBPJNVBRMBB-KZNAEPCWSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592332 398837471 /nfs/dbraw/zinc/83/74/71/398837471.db2.gz JPISBPJNVBRMBB-KZNAEPCWSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592332 398837476 /nfs/dbraw/zinc/83/74/76/398837476.db2.gz JPISBPJNVBRMBB-KZNAEPCWSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598715753 398860484 /nfs/dbraw/zinc/86/04/84/398860484.db2.gz STPGNLGLXFBKEI-IXDOHACOSA-N 2 1 309.498 2.635 20 30 DFEDMP C=CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271932031 209334259 /nfs/dbraw/zinc/33/42/59/209334259.db2.gz WVGWUVRRRPDCLQ-UHFFFAOYSA-N 2 1 302.418 2.612 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089048 193201730 /nfs/dbraw/zinc/20/17/30/193201730.db2.gz GBIPPPWYNREWJY-UHFFFAOYSA-N 2 1 300.446 2.862 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093769424 193302678 /nfs/dbraw/zinc/30/26/78/193302678.db2.gz UVOTYKYDPKPDIS-UHFFFAOYSA-N 2 1 319.449 2.722 20 30 DFEDMP C[C@H](CC[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726690 399126843 /nfs/dbraw/zinc/12/68/43/399126843.db2.gz GSKONVXZGJCVSD-AEFFLSMTSA-N 2 1 315.461 2.541 20 30 DFEDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000618567993 399161926 /nfs/dbraw/zinc/16/19/26/399161926.db2.gz FXPVIRAGXLYLFK-RBUKOAKNSA-N 2 1 315.461 2.692 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610813266 399408675 /nfs/dbraw/zinc/40/86/75/399408675.db2.gz BSPKDRITVPVSSS-HNNXBMFYSA-N 2 1 323.444 2.819 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000602502185 399461650 /nfs/dbraw/zinc/46/16/50/399461650.db2.gz JFZLCFWXJGXONA-DLBZAZTESA-N 2 1 307.482 2.939 20 30 DFEDMP COC1CC[NH+](C2(C[NH2+]C[C@H](C)CCC#N)CCCC2)CC1 ZINC000602544829 399471475 /nfs/dbraw/zinc/47/14/75/399471475.db2.gz AMHIDJHBCCJXOI-MRXNPFEDSA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438565 399477025 /nfs/dbraw/zinc/47/70/25/399477025.db2.gz AIPTYASBMXSLQD-BEFAXECRSA-N 2 1 313.445 2.852 20 30 DFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602581276 399482520 /nfs/dbraw/zinc/48/25/20/399482520.db2.gz JENWBGITKWDCAI-IAGOWNOFSA-N 2 1 307.482 2.795 20 30 DFEDMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602581276 399482522 /nfs/dbraw/zinc/48/25/22/399482522.db2.gz JENWBGITKWDCAI-IAGOWNOFSA-N 2 1 307.482 2.795 20 30 DFEDMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000602846838 399600540 /nfs/dbraw/zinc/60/05/40/399600540.db2.gz ICGJRMZPUNQHAY-UHFFFAOYSA-N 2 1 306.413 2.974 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361834523 149233234 /nfs/dbraw/zinc/23/32/34/149233234.db2.gz UMTROYFPAGTEFW-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000373107776 150232837 /nfs/dbraw/zinc/23/28/37/150232837.db2.gz WQVGSAAWTJLQTE-MRXNPFEDSA-N 2 1 310.401 2.550 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290643700 335073995 /nfs/dbraw/zinc/07/39/95/335073995.db2.gz YPWMDUNDEINIGA-QFBILLFUSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290643700 335073996 /nfs/dbraw/zinc/07/39/96/335073996.db2.gz YPWMDUNDEINIGA-QFBILLFUSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290643700 335073997 /nfs/dbraw/zinc/07/39/97/335073997.db2.gz YPWMDUNDEINIGA-QFBILLFUSA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290643700 335073998 /nfs/dbraw/zinc/07/39/98/335073998.db2.gz YPWMDUNDEINIGA-QFBILLFUSA-N 2 1 300.446 2.861 20 30 DFEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000067452786 425910617 /nfs/dbraw/zinc/91/06/17/425910617.db2.gz MXCWTLSECAJTKO-IYBDPMFKSA-N 2 1 301.434 2.537 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352832361 267086318 /nfs/dbraw/zinc/08/63/18/267086318.db2.gz FPVXJEJTIRPVNF-OKILXGFUSA-N 2 1 306.479 2.862 20 30 DFEDMP C=C(C)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915668 425968717 /nfs/dbraw/zinc/96/87/17/425968717.db2.gz VWAIOPXQCQBDLC-IBGZPJMESA-N 2 1 302.462 2.940 20 30 DFEDMP CN(C)C(=[NH+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)N(C)C ZINC000162457049 426065488 /nfs/dbraw/zinc/06/54/88/426065488.db2.gz FAUNBENZVGMPCP-SFHVURJKSA-N 2 1 302.466 2.520 20 30 DFEDMP C[N@H+](CCOc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860409 426088587 /nfs/dbraw/zinc/08/85/87/426088587.db2.gz IYGXYKKQQMHWPA-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@@H+](CCOc1ccc(C#N)cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860409 426088590 /nfs/dbraw/zinc/08/85/90/426088590.db2.gz IYGXYKKQQMHWPA-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccc(C#N)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860409 426088593 /nfs/dbraw/zinc/08/85/93/426088593.db2.gz IYGXYKKQQMHWPA-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccc(C#N)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860409 426088596 /nfs/dbraw/zinc/08/85/96/426088596.db2.gz IYGXYKKQQMHWPA-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)cc1 ZINC000113326841 426113428 /nfs/dbraw/zinc/11/34/28/426113428.db2.gz XAFPKECLSBDUPA-GOSISDBHSA-N 2 1 300.446 2.910 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000128677543 426127783 /nfs/dbraw/zinc/12/77/83/426127783.db2.gz VHTFNOGSKFBJER-APWZRJJASA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000128677543 426127786 /nfs/dbraw/zinc/12/77/86/426127786.db2.gz VHTFNOGSKFBJER-APWZRJJASA-N 2 1 315.461 2.989 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)[C@H](C)C1 ZINC000128677543 426127788 /nfs/dbraw/zinc/12/77/88/426127788.db2.gz VHTFNOGSKFBJER-APWZRJJASA-N 2 1 315.461 2.989 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)s1 ZINC000134979448 426202017 /nfs/dbraw/zinc/20/20/17/426202017.db2.gz FSNWHRSRDHDUIM-ZIAGYGMSSA-N 2 1 319.474 2.771 20 30 DFEDMP Cc1cc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)nc(C)[nH+]1 ZINC000178615168 426664586 /nfs/dbraw/zinc/66/45/86/426664586.db2.gz ZPRQAUMTIIXMFO-UHFFFAOYSA-N 2 1 321.428 2.724 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444479 426630816 /nfs/dbraw/zinc/63/08/16/426630816.db2.gz NCSPNNFRTZXBAB-GOSISDBHSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444479 426630824 /nfs/dbraw/zinc/63/08/24/426630824.db2.gz NCSPNNFRTZXBAB-GOSISDBHSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444479 426630827 /nfs/dbraw/zinc/63/08/27/426630827.db2.gz NCSPNNFRTZXBAB-GOSISDBHSA-N 2 1 312.461 2.555 20 30 DFEDMP C=C(C)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000274766591 426831346 /nfs/dbraw/zinc/83/13/46/426831346.db2.gz GFCAPXMYVPFBHK-UHFFFAOYSA-N 2 1 301.478 2.702 20 30 DFEDMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000181481331 426953500 /nfs/dbraw/zinc/95/35/00/426953500.db2.gz DUTKUKRSBZWQNR-IUODEOHRSA-N 2 1 306.479 2.540 20 30 DFEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000248372930 426993281 /nfs/dbraw/zinc/99/32/81/426993281.db2.gz DUTKUKRSBZWQNR-WFASDCNBSA-N 2 1 306.479 2.540 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248878468 427056521 /nfs/dbraw/zinc/05/65/21/427056521.db2.gz KBNRFDJORZUTOZ-MKXGPGLRSA-N 2 1 300.446 2.709 20 30 DFEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262271493 427353930 /nfs/dbraw/zinc/35/39/30/427353930.db2.gz IKXIKPSEQKVWHG-LBPRGKRZSA-N 2 1 310.392 2.669 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264107503 427658854 /nfs/dbraw/zinc/65/88/54/427658854.db2.gz ODMUPPAXZUDXGK-WMLDXEAASA-N 2 1 318.465 2.535 20 30 DFEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440553 427776294 /nfs/dbraw/zinc/77/62/94/427776294.db2.gz LKHJKMFBBKFWPT-SFHVURJKSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440553 427776297 /nfs/dbraw/zinc/77/62/97/427776297.db2.gz LKHJKMFBBKFWPT-SFHVURJKSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440553 427776300 /nfs/dbraw/zinc/77/63/00/427776300.db2.gz LKHJKMFBBKFWPT-SFHVURJKSA-N 2 1 305.466 2.505 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000341884628 428241658 /nfs/dbraw/zinc/24/16/58/428241658.db2.gz VZOJMHZVUVTKCL-XUBOLADHSA-N 2 1 314.473 2.956 20 30 DFEDMP C[N@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372569806 428466386 /nfs/dbraw/zinc/46/63/86/428466386.db2.gz CKPXSHVWMAHXKH-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372569806 428466392 /nfs/dbraw/zinc/46/63/92/428466392.db2.gz CKPXSHVWMAHXKH-KRWDZBQOSA-N 2 1 324.428 2.718 20 30 DFEDMP C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000373073578 428514761 /nfs/dbraw/zinc/51/47/61/428514761.db2.gz FDRALYJINVWIQB-MSOLQXFVSA-N 2 1 320.525 2.664 20 30 DFEDMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)[NH+]1CCCC1 ZINC000373224184 428524861 /nfs/dbraw/zinc/52/48/61/428524861.db2.gz PYDRIGKUIVKJSC-ZKXLYKBJSA-N 2 1 305.466 2.690 20 30 DFEDMP C=CCOCCC[N@H+](C)C[C@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000348108545 428637612 /nfs/dbraw/zinc/63/76/12/428637612.db2.gz TVCVJBDHXYXSOO-QZTJIDSGSA-N 2 1 303.450 2.599 20 30 DFEDMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](C#N)CCC#N)CC2)C1CC1 ZINC000362618024 428794780 /nfs/dbraw/zinc/79/47/80/428794780.db2.gz WFICKJOMXUCOFZ-JKSUJKDBSA-N 2 1 300.450 2.626 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420309415 428954980 /nfs/dbraw/zinc/95/49/80/428954980.db2.gz LJNFNNZBEMNWPL-INIZCTEOSA-N 2 1 303.450 2.534 20 30 DFEDMP C=CC[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420327387 428956883 /nfs/dbraw/zinc/95/68/83/428956883.db2.gz YQTAZFRTSNZLLC-PMACEKPBSA-N 2 1 310.441 2.606 20 30 DFEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420327387 428956891 /nfs/dbraw/zinc/95/68/91/428956891.db2.gz YQTAZFRTSNZLLC-PMACEKPBSA-N 2 1 310.441 2.606 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000422558906 429051139 /nfs/dbraw/zinc/05/11/39/429051139.db2.gz BFFZLKVIBUIWFX-ZQIUZPCESA-N 2 1 318.461 2.935 20 30 DFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422983200 429053772 /nfs/dbraw/zinc/05/37/72/429053772.db2.gz YWZBPIHHYKVNPL-CEXWTWQISA-N 3 1 305.510 2.927 20 30 DFEDMP C[C@H]([NH2+]CCSCc1ccccc1C#N)c1c[nH+]ccc1N ZINC000422985074 429054067 /nfs/dbraw/zinc/05/40/67/429054067.db2.gz BYOMALWTMHESGI-ZDUSSCGKSA-N 2 1 312.442 2.950 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000453284675 429147302 /nfs/dbraw/zinc/14/73/02/429147302.db2.gz BJLHRNJSWOQJAL-OWSLCNJRSA-N 2 1 307.482 2.795 20 30 DFEDMP Cn1cc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1C#N ZINC000365238489 429283938 /nfs/dbraw/zinc/28/39/38/429283938.db2.gz AABBOKMZMMTYRQ-MRXNPFEDSA-N 2 1 312.461 2.593 20 30 DFEDMP Cn1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000365235273 429284162 /nfs/dbraw/zinc/28/41/62/429284162.db2.gz SSVDCHXVYOXSRD-UHFFFAOYSA-N 2 1 323.444 2.640 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887106 429239353 /nfs/dbraw/zinc/23/93/53/429239353.db2.gz WPSZQCKYDLEEGQ-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887106 429239355 /nfs/dbraw/zinc/23/93/55/429239355.db2.gz WPSZQCKYDLEEGQ-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887106 429239357 /nfs/dbraw/zinc/23/93/57/429239357.db2.gz WPSZQCKYDLEEGQ-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887106 429239359 /nfs/dbraw/zinc/23/93/59/429239359.db2.gz WPSZQCKYDLEEGQ-WMLDXEAASA-N 2 1 301.434 2.871 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588707 429304557 /nfs/dbraw/zinc/30/45/57/429304557.db2.gz VZOJMHZVUVTKCL-WTGUMLROSA-N 2 1 314.473 2.956 20 30 DFEDMP Cc1nccn1CCC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000367167815 429590279 /nfs/dbraw/zinc/59/02/79/429590279.db2.gz JCGDRVIAHOPGLV-UHFFFAOYSA-N 2 1 323.444 2.666 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000367167815 429590288 /nfs/dbraw/zinc/59/02/88/429590288.db2.gz JCGDRVIAHOPGLV-UHFFFAOYSA-N 2 1 323.444 2.666 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000367167815 429590294 /nfs/dbraw/zinc/59/02/94/429590294.db2.gz JCGDRVIAHOPGLV-UHFFFAOYSA-N 2 1 323.444 2.666 20 30 DFEDMP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851388 429898753 /nfs/dbraw/zinc/89/87/53/429898753.db2.gz QBIVRQSNTGCDPI-UHFFFAOYSA-N 2 1 313.445 2.633 20 30 DFEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851388 429898755 /nfs/dbraw/zinc/89/87/55/429898755.db2.gz QBIVRQSNTGCDPI-UHFFFAOYSA-N 2 1 313.445 2.633 20 30 DFEDMP N#CC1(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000369202073 429919536 /nfs/dbraw/zinc/91/95/36/429919536.db2.gz GGXMWLRUPZESCE-QGZVFWFLSA-N 2 1 305.466 2.505 20 30 DFEDMP C=C(C)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(CO)o1 ZINC000575758632 430098116 /nfs/dbraw/zinc/09/81/16/430098116.db2.gz AOOMGOBNYGMLKO-UHFFFAOYSA-N 2 1 303.406 2.516 20 30 DFEDMP C=C(C)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(CO)o1 ZINC000575758632 430098119 /nfs/dbraw/zinc/09/81/19/430098119.db2.gz AOOMGOBNYGMLKO-UHFFFAOYSA-N 2 1 303.406 2.516 20 30 DFEDMP C[C@H](NC[C@H](C#N)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562282235 430116301 /nfs/dbraw/zinc/11/63/01/430116301.db2.gz CIQNLXWTINHEPP-YTQUADARSA-N 2 1 310.445 2.930 20 30 DFEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768288 430467316 /nfs/dbraw/zinc/46/73/16/430467316.db2.gz ZCUOYOWDAIYGRA-RTBURBONSA-N 2 1 312.457 2.548 20 30 DFEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768288 430467321 /nfs/dbraw/zinc/46/73/21/430467321.db2.gz ZCUOYOWDAIYGRA-RTBURBONSA-N 2 1 312.457 2.548 20 30 DFEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657873323 430758900 /nfs/dbraw/zinc/75/89/00/430758900.db2.gz WQVCJUNLMRPUMV-RBUKOAKNSA-N 2 1 307.526 2.985 20 30 DFEDMP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658143461 430823974 /nfs/dbraw/zinc/82/39/74/430823974.db2.gz YKXMOGJBAUNWEL-BXWFABGCSA-N 2 1 302.462 2.944 20 30 DFEDMP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000661760717 430833412 /nfs/dbraw/zinc/83/34/12/430833412.db2.gz XTCKORDBJZREEK-QGZVFWFLSA-N 2 1 317.477 2.692 20 30 DFEDMP C=CCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647200011 431508717 /nfs/dbraw/zinc/50/87/17/431508717.db2.gz CLKXUBQKFJJWLS-SFHVURJKSA-N 2 1 300.446 2.976 20 30 DFEDMP C=CCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647200011 431508723 /nfs/dbraw/zinc/50/87/23/431508723.db2.gz CLKXUBQKFJJWLS-SFHVURJKSA-N 2 1 300.446 2.976 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071442 431808674 /nfs/dbraw/zinc/80/86/74/431808674.db2.gz BZTLCTWUQVODCE-UHFFFAOYSA-N 2 1 316.445 2.548 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071442 431808678 /nfs/dbraw/zinc/80/86/78/431808678.db2.gz BZTLCTWUQVODCE-UHFFFAOYSA-N 2 1 316.445 2.548 20 30 DFEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CCN1C ZINC000093644636 332140962 /nfs/dbraw/zinc/14/09/62/332140962.db2.gz UKIKBNNEZXXEMI-LPHOPBHVSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@@H+]1C ZINC000093644636 332140964 /nfs/dbraw/zinc/14/09/64/332140964.db2.gz UKIKBNNEZXXEMI-LPHOPBHVSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)CC[N@H+]1C ZINC000093644636 332140965 /nfs/dbraw/zinc/14/09/65/332140965.db2.gz UKIKBNNEZXXEMI-LPHOPBHVSA-N 2 1 314.477 2.951 20 30 DFEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC[NH+]1C ZINC000093644636 332140967 /nfs/dbraw/zinc/14/09/67/332140967.db2.gz UKIKBNNEZXXEMI-LPHOPBHVSA-N 2 1 314.477 2.951 20 30 DFEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093770490 332142286 /nfs/dbraw/zinc/14/22/86/332142286.db2.gz LRRFYDWBWRTYDX-GOSISDBHSA-N 2 1 314.477 2.810 20 30 DFEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093770490 332142287 /nfs/dbraw/zinc/14/22/87/332142287.db2.gz LRRFYDWBWRTYDX-GOSISDBHSA-N 2 1 314.477 2.810 20 30 DFEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093770490 332142288 /nfs/dbraw/zinc/14/22/88/332142288.db2.gz LRRFYDWBWRTYDX-GOSISDBHSA-N 2 1 314.477 2.810 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000170904997 333042006 /nfs/dbraw/zinc/04/20/06/333042006.db2.gz WFKQLXGAZIUXCS-OAHLLOKOSA-N 2 1 301.438 2.507 20 30 DFEDMP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000185759984 333213674 /nfs/dbraw/zinc/21/36/74/333213674.db2.gz WMICFEHWTXWTBB-LPHOPBHVSA-N 2 1 313.445 2.691 20 30 DFEDMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000185886674 333215392 /nfs/dbraw/zinc/21/53/92/333215392.db2.gz SOKALYOQHOZVKZ-NVXWUHKLSA-N 2 1 313.449 2.734 20 30 DFEDMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)nc(C)[nH+]1 ZINC000185886658 333215566 /nfs/dbraw/zinc/21/55/66/333215566.db2.gz SOKALYOQHOZVKZ-RDJZCZTQSA-N 2 1 313.449 2.734 20 30 DFEDMP C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000364459541 333318331 /nfs/dbraw/zinc/31/83/31/333318331.db2.gz JPCNCVYRQJIQET-QGZVFWFLSA-N 2 1 320.525 2.807 20 30 DFEDMP C[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccnc1 ZINC000364670518 333325933 /nfs/dbraw/zinc/32/59/33/333325933.db2.gz DBEQHTZRCZYTFK-IRXDYDNUSA-N 2 1 300.450 2.994 20 30 DFEDMP C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccnc1 ZINC000364670518 333325934 /nfs/dbraw/zinc/32/59/34/333325934.db2.gz DBEQHTZRCZYTFK-IRXDYDNUSA-N 2 1 300.450 2.994 20 30 DFEDMP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000320362753 333649780 /nfs/dbraw/zinc/64/97/80/333649780.db2.gz HLSNNMIPQVLWIJ-IBGZPJMESA-N 2 1 302.462 2.610 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CCC1 ZINC000262409883 333857990 /nfs/dbraw/zinc/85/79/90/333857990.db2.gz CXCZHZCCKJOMSV-AWEZNQCLSA-N 2 1 306.479 2.603 20 30 DFEDMP C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1O ZINC000414837802 334111846 /nfs/dbraw/zinc/11/18/46/334111846.db2.gz VXAVEPOWISZCJK-XYPWUTKMSA-N 2 1 302.418 2.502 20 30 DFEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)CCC#N)cc1 ZINC000289395997 334164724 /nfs/dbraw/zinc/16/47/24/334164724.db2.gz FRWKEZVQIPLEKS-UHFFFAOYSA-N 2 1 302.466 2.810 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863443 335242996 /nfs/dbraw/zinc/24/29/96/335242996.db2.gz GQGAOCJCQFXJCN-KRWDZBQOSA-N 2 1 321.509 2.607 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C2 ZINC000329449832 335977304 /nfs/dbraw/zinc/97/73/04/335977304.db2.gz DKXAVBWBEROOEN-ZBFHGGJFSA-N 2 1 318.465 2.831 20 30 DFEDMP CC(=O)NC1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329791020 336082127 /nfs/dbraw/zinc/08/21/27/336082127.db2.gz DGOPTZYBULKUQG-UHFFFAOYSA-N 2 1 323.481 2.509 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCCOC)c2)CC1 ZINC000106245312 336389114 /nfs/dbraw/zinc/38/91/14/336389114.db2.gz XGUFTGWCSXAYDH-UHFFFAOYSA-N 2 1 318.461 2.842 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000377650716 337057493 /nfs/dbraw/zinc/05/74/93/337057493.db2.gz NTNWHCTXHDRLSI-NSISKUIASA-N 2 1 312.457 2.647 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863607 337062900 /nfs/dbraw/zinc/06/29/00/337062900.db2.gz HYOAHFYZRPJWDC-GOSISDBHSA-N 2 1 323.440 2.980 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863607 337062901 /nfs/dbraw/zinc/06/29/01/337062901.db2.gz HYOAHFYZRPJWDC-GOSISDBHSA-N 2 1 323.440 2.980 20 30 DFEDMP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000192989217 337308780 /nfs/dbraw/zinc/30/87/80/337308780.db2.gz QWARPNYRLBMYSA-IAGOWNOFSA-N 2 1 305.466 2.693 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCCC1 ZINC000262092436 337615038 /nfs/dbraw/zinc/61/50/38/337615038.db2.gz HIESOZJZICQXIC-AWEZNQCLSA-N 2 1 306.479 2.556 20 30 DFEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000436314097 338268639 /nfs/dbraw/zinc/26/86/39/338268639.db2.gz XRGHFAAMBLWWCH-RDGPPVDQSA-N 2 1 324.509 2.694 20 30 DFEDMP C=CCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC000459574214 339036649 /nfs/dbraw/zinc/03/66/49/339036649.db2.gz RXUNADSMQLKKPS-KRWDZBQOSA-N 2 1 317.433 2.538 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132320475 341120633 /nfs/dbraw/zinc/12/06/33/341120633.db2.gz WMEABUXDUYBSGA-INIZCTEOSA-N 2 1 323.481 2.626 20 30 DFEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000318303232 533873428 /nfs/dbraw/zinc/87/34/28/533873428.db2.gz PCJNTULNUYZXLI-OAHLLOKOSA-N 2 1 301.434 2.921 20 30 DFEDMP COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000318303232 533873433 /nfs/dbraw/zinc/87/34/33/533873433.db2.gz PCJNTULNUYZXLI-OAHLLOKOSA-N 2 1 301.434 2.921 20 30 DFEDMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000299624425 528991520 /nfs/dbraw/zinc/99/15/20/528991520.db2.gz UWPDUBNYBGWFHK-UHFFFAOYSA-N 2 1 301.434 2.742 20 30 DFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000299624425 528991522 /nfs/dbraw/zinc/99/15/22/528991522.db2.gz UWPDUBNYBGWFHK-UHFFFAOYSA-N 2 1 301.434 2.742 20 30 DFEDMP N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000592152731 398392022 /nfs/dbraw/zinc/39/20/22/398392022.db2.gz CBPUGYDELSISCG-LJQANCHMSA-N 2 1 313.445 2.523 20 30 DFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(F)cc(C#N)cc1F ZINC000596364817 398395463 /nfs/dbraw/zinc/39/54/63/398395463.db2.gz SYJHVWZIARAOPG-LBPRGKRZSA-N 2 1 310.392 2.520 20 30 DFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(F)cc(C#N)cc1F ZINC000596364817 398395465 /nfs/dbraw/zinc/39/54/65/398395465.db2.gz SYJHVWZIARAOPG-LBPRGKRZSA-N 2 1 310.392 2.520 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC[NH3+])CC2)c1C ZINC000582008132 398394776 /nfs/dbraw/zinc/39/47/76/398394776.db2.gz AGVGMFUYGLQOQM-UHFFFAOYSA-N 2 1 303.450 2.534 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337180508 398575652 /nfs/dbraw/zinc/57/56/52/398575652.db2.gz MCEPMNNZAKWLED-DLBZAZTESA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337180508 398575656 /nfs/dbraw/zinc/57/56/56/398575656.db2.gz MCEPMNNZAKWLED-DLBZAZTESA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337180508 398575662 /nfs/dbraw/zinc/57/56/62/398575662.db2.gz MCEPMNNZAKWLED-DLBZAZTESA-N 2 1 307.482 2.892 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597175083 398582618 /nfs/dbraw/zinc/58/26/18/398582618.db2.gz VTJSYQSXBBKARJ-MRXNPFEDSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cc1 ZINC000597198243 398588589 /nfs/dbraw/zinc/58/85/89/398588589.db2.gz MFSJRMPUDCXAFR-FUHWJXTLSA-N 2 1 301.434 2.799 20 30 DFEDMP N#Cc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873642 198263214 /nfs/dbraw/zinc/26/32/14/198263214.db2.gz AVIAHENURKUZGY-SFHVURJKSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873642 198263216 /nfs/dbraw/zinc/26/32/16/198263216.db2.gz AVIAHENURKUZGY-SFHVURJKSA-N 2 1 313.445 2.745 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595011749 398891530 /nfs/dbraw/zinc/89/15/30/398891530.db2.gz MFZNCYXINPWXAC-OAHLLOKOSA-N 2 1 310.482 2.984 20 30 DFEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271992649 209366403 /nfs/dbraw/zinc/36/64/03/209366403.db2.gz ZZEJJVVJZAAUAT-PBHICJAKSA-N 2 1 319.424 2.585 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599307887 398952510 /nfs/dbraw/zinc/95/25/10/398952510.db2.gz NTENRYRVWGSNKK-LJQANCHMSA-N 2 1 315.461 2.799 20 30 DFEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C#N ZINC000600707590 399120649 /nfs/dbraw/zinc/12/06/49/399120649.db2.gz BWSJDUYSHBZEOJ-IPMKNSEASA-N 2 1 313.445 2.728 20 30 DFEDMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000285615106 335023577 /nfs/dbraw/zinc/02/35/77/335023577.db2.gz KBGNGDMAGODFRO-UHFFFAOYSA-N 2 1 313.489 2.538 20 30 DFEDMP C=C(C)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285636721 335023863 /nfs/dbraw/zinc/02/38/63/335023863.db2.gz DATRNYIRZGTRMO-FQEVSTJZSA-N 2 1 313.489 2.845 20 30 DFEDMP C=C(C)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285636723 335024064 /nfs/dbraw/zinc/02/40/64/335024064.db2.gz DATRNYIRZGTRMO-HXUWFJFHSA-N 2 1 313.489 2.845 20 30 DFEDMP C#CC(C)(C)N(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000286355076 335033307 /nfs/dbraw/zinc/03/33/07/335033307.db2.gz XYGKUAZZCMTDHC-SFHVURJKSA-N 2 1 300.446 2.621 20 30 DFEDMP C#CC(C)(C)[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000286355076 335033309 /nfs/dbraw/zinc/03/33/09/335033309.db2.gz XYGKUAZZCMTDHC-SFHVURJKSA-N 2 1 300.446 2.621 20 30 DFEDMP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516229 399465381 /nfs/dbraw/zinc/46/53/81/399465381.db2.gz WKDCOXZJKMQAFZ-IXDOHACOSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000602516229 399465383 /nfs/dbraw/zinc/46/53/83/399465383.db2.gz WKDCOXZJKMQAFZ-IXDOHACOSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000602516352 399466644 /nfs/dbraw/zinc/46/66/44/399466644.db2.gz ZMSNHZGROLQUAB-IXDOHACOSA-N 2 1 307.482 2.938 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000602516352 399466646 /nfs/dbraw/zinc/46/66/46/399466646.db2.gz ZMSNHZGROLQUAB-IXDOHACOSA-N 2 1 307.482 2.938 20 30 DFEDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726791 399543026 /nfs/dbraw/zinc/54/30/26/399543026.db2.gz BLQUXWQILHQNCK-FUHWJXTLSA-N 2 1 320.440 2.811 20 30 DFEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726791 399543030 /nfs/dbraw/zinc/54/30/30/399543030.db2.gz BLQUXWQILHQNCK-FUHWJXTLSA-N 2 1 320.440 2.811 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726784 399543160 /nfs/dbraw/zinc/54/31/60/399543160.db2.gz BLQUXWQILHQNCK-AEFFLSMTSA-N 2 1 320.440 2.811 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726784 399543163 /nfs/dbraw/zinc/54/31/63/399543163.db2.gz BLQUXWQILHQNCK-AEFFLSMTSA-N 2 1 320.440 2.811 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000289951927 335067100 /nfs/dbraw/zinc/06/71/00/335067100.db2.gz AWEQPSJSAYXKBS-YLJYHZDGSA-N 2 1 314.473 2.895 20 30 DFEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000337178691 543128415 /nfs/dbraw/zinc/12/84/15/543128415.db2.gz KNIZPOWJCIHARU-KSSFIOAISA-N 2 1 324.428 2.618 20 30 DFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020612 /nfs/dbraw/zinc/02/06/12/196020612.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020613 /nfs/dbraw/zinc/02/06/13/196020613.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113991 196020614 /nfs/dbraw/zinc/02/06/14/196020614.db2.gz QIJPNKVLDVVOMH-MJGOQNOKSA-N 2 1 313.445 2.743 20 30 DFEDMP COCC#CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677819582 544547215 /nfs/dbraw/zinc/54/72/15/544547215.db2.gz BIUUBSSQJQALRU-UHFFFAOYSA-N 2 1 312.457 2.624 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201806 266153777 /nfs/dbraw/zinc/15/37/77/266153777.db2.gz YAQARPZMVGIWMG-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201806 266153780 /nfs/dbraw/zinc/15/37/80/266153780.db2.gz YAQARPZMVGIWMG-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201806 266153785 /nfs/dbraw/zinc/15/37/85/266153785.db2.gz YAQARPZMVGIWMG-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000340201806 266153789 /nfs/dbraw/zinc/15/37/89/266153789.db2.gz YAQARPZMVGIWMG-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779572 267338248 /nfs/dbraw/zinc/33/82/48/267338248.db2.gz VVKBGMLKUAHCBC-SFHVURJKSA-N 2 1 313.445 2.638 20 30 DFEDMP C=CCC[C@H](O)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000128890246 426137139 /nfs/dbraw/zinc/13/71/39/426137139.db2.gz TUPPNCPPPAFOPV-IBGZPJMESA-N 2 1 302.462 2.910 20 30 DFEDMP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128890246 426137140 /nfs/dbraw/zinc/13/71/40/426137140.db2.gz TUPPNCPPPAFOPV-IBGZPJMESA-N 2 1 302.462 2.910 20 30 DFEDMP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128890246 426137143 /nfs/dbraw/zinc/13/71/43/426137143.db2.gz TUPPNCPPPAFOPV-IBGZPJMESA-N 2 1 302.462 2.910 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136869007 426246944 /nfs/dbraw/zinc/24/69/44/426246944.db2.gz JJJFDXHQQPEFLV-NVXWUHKLSA-N 2 1 302.466 2.554 20 30 DFEDMP N#CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266608254 426749172 /nfs/dbraw/zinc/74/91/72/426749172.db2.gz UYAHPLJQNCGDPX-GOSISDBHSA-N 2 1 313.445 2.897 20 30 DFEDMP N#CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000266608254 426749177 /nfs/dbraw/zinc/74/91/77/426749177.db2.gz UYAHPLJQNCGDPX-GOSISDBHSA-N 2 1 313.445 2.897 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247275715 426923862 /nfs/dbraw/zinc/92/38/62/426923862.db2.gz YHSPZLWZTPHLQC-HHXXYDBFSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247275715 426923866 /nfs/dbraw/zinc/92/38/66/426923866.db2.gz YHSPZLWZTPHLQC-HHXXYDBFSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247275715 426923871 /nfs/dbraw/zinc/92/38/71/426923871.db2.gz YHSPZLWZTPHLQC-HHXXYDBFSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247275700 426924555 /nfs/dbraw/zinc/92/45/55/426924555.db2.gz YHSPZLWZTPHLQC-AYBZRNKSSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247275700 426924562 /nfs/dbraw/zinc/92/45/62/426924562.db2.gz YHSPZLWZTPHLQC-AYBZRNKSSA-N 2 1 313.445 2.894 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247275700 426924569 /nfs/dbraw/zinc/92/45/69/426924569.db2.gz YHSPZLWZTPHLQC-AYBZRNKSSA-N 2 1 313.445 2.894 20 30 DFEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267364532 426879738 /nfs/dbraw/zinc/87/97/38/426879738.db2.gz WVZZYBRMWKVZGG-CQSZACIVSA-N 2 1 300.450 2.634 20 30 DFEDMP C=CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248878463 427056747 /nfs/dbraw/zinc/05/67/47/427056747.db2.gz KBNRFDJORZUTOZ-CADBVGFASA-N 2 1 300.446 2.709 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248878460 427055096 /nfs/dbraw/zinc/05/50/96/427055096.db2.gz KBNRFDJORZUTOZ-AKHDSKFASA-N 2 1 300.446 2.709 20 30 DFEDMP C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)CC[N@H+]1C ZINC000177821164 271185580 /nfs/dbraw/zinc/18/55/80/271185580.db2.gz LWGRTLRNTMSFRE-WMLDXEAASA-N 2 1 303.475 2.864 20 30 DFEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C#N ZINC000190948599 427211922 /nfs/dbraw/zinc/21/19/22/427211922.db2.gz WQETZEPKFGDQLG-GOSISDBHSA-N 2 1 322.456 2.551 20 30 DFEDMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C#N ZINC000269714885 427258515 /nfs/dbraw/zinc/25/85/15/427258515.db2.gz RKCFZTHRCCDLHZ-UHFFFAOYSA-N 2 1 301.434 2.871 20 30 DFEDMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1C#N ZINC000269714885 427258521 /nfs/dbraw/zinc/25/85/21/427258521.db2.gz RKCFZTHRCCDLHZ-UHFFFAOYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264114757 427660340 /nfs/dbraw/zinc/66/03/40/427660340.db2.gz SBEWWCKSOPRCFH-ZIAGYGMSSA-N 2 1 308.495 2.663 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000356835852 428331620 /nfs/dbraw/zinc/33/16/20/428331620.db2.gz CRCXMGXBZYZUIB-ZGXWSNOMSA-N 2 1 314.473 2.671 20 30 DFEDMP C[N@H+]1C[C@@H]2CN(Cc3ccc(C#N)o3)C[C@H]2[C@H]1c1ccccc1 ZINC000360776646 428434637 /nfs/dbraw/zinc/43/46/37/428434637.db2.gz FOQHNEOTKPHJGM-ATZDWAIDSA-N 2 1 307.397 2.886 20 30 DFEDMP Cc1cc(N2CCC([N@H+](C)CCCCC#N)CC2)nc(C)[nH+]1 ZINC000360913513 428488904 /nfs/dbraw/zinc/48/89/04/428488904.db2.gz QRRBSQYMWSCXMM-UHFFFAOYSA-N 2 1 301.438 2.688 20 30 DFEDMP Cc1cc(N2CCC([N@@H+](C)CCCCC#N)CC2)nc(C)[nH+]1 ZINC000360913513 428488909 /nfs/dbraw/zinc/48/89/09/428488909.db2.gz QRRBSQYMWSCXMM-UHFFFAOYSA-N 2 1 301.438 2.688 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000373184641 428520684 /nfs/dbraw/zinc/52/06/84/428520684.db2.gz FODYWFYFWNWUMR-FJIDUMEYSA-N 2 1 316.449 2.801 20 30 DFEDMP CC(C[NH+]1CCC(C)(C#N)CC1)C[NH+]1CCC(C)(C#N)CC1 ZINC000408157783 428610714 /nfs/dbraw/zinc/61/07/14/428610714.db2.gz GNSFJDFXDQZQAP-UHFFFAOYSA-N 2 1 302.466 2.874 20 30 DFEDMP C=CCOCCC[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000348108547 428638291 /nfs/dbraw/zinc/63/82/91/428638291.db2.gz TVCVJBDHXYXSOO-ROUUACIJSA-N 2 1 303.450 2.599 20 30 DFEDMP C=CCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358866449 428709715 /nfs/dbraw/zinc/70/97/15/428709715.db2.gz SVLKXGXKKQMUAE-IAGOWNOFSA-N 2 1 310.482 2.543 20 30 DFEDMP N#CC1(CC[N@H+]2CC[C@@H](CN3CCOCC3)C2)CCCCC1 ZINC000411317090 428776939 /nfs/dbraw/zinc/77/69/39/428776939.db2.gz XZDKLBGSVSYGTK-QGZVFWFLSA-N 2 1 305.466 2.505 20 30 DFEDMP CCNC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)=[NH+]CC ZINC000363588679 428948191 /nfs/dbraw/zinc/94/81/91/428948191.db2.gz PAKBYVARXDIQTL-GOEBONIOSA-N 2 1 322.884 2.908 20 30 DFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422983201 429053664 /nfs/dbraw/zinc/05/36/64/429053664.db2.gz YWZBPIHHYKVNPL-GBESFXJTSA-N 3 1 305.510 2.927 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000424175697 429104754 /nfs/dbraw/zinc/10/47/54/429104754.db2.gz QMXJVFAJPAQMJW-HKUYNNGSSA-N 2 1 300.446 2.832 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442927610 429241412 /nfs/dbraw/zinc/24/14/12/429241412.db2.gz OHRWDRSZONHSBT-OAHLLOKOSA-N 2 1 304.434 2.821 20 30 DFEDMP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)cn1 ZINC000425260324 429253435 /nfs/dbraw/zinc/25/34/35/429253435.db2.gz OGAJNXMILZDOGB-KDURUIRLSA-N 2 1 318.424 2.830 20 30 DFEDMP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364715001 429256055 /nfs/dbraw/zinc/25/60/55/429256055.db2.gz RMSBSINTDZLDMD-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364715001 429256060 /nfs/dbraw/zinc/25/60/60/429256060.db2.gz RMSBSINTDZLDMD-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000491072765 429323666 /nfs/dbraw/zinc/32/36/66/429323666.db2.gz VPPSPVXAQJPXRC-KRWDZBQOSA-N 2 1 315.417 2.775 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000491072765 429323670 /nfs/dbraw/zinc/32/36/70/429323670.db2.gz VPPSPVXAQJPXRC-KRWDZBQOSA-N 2 1 315.417 2.775 20 30 DFEDMP C=CCNC(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449252100 429367211 /nfs/dbraw/zinc/36/72/11/429367211.db2.gz QCGSLXXQAVYHHU-UHFFFAOYSA-N 2 1 309.498 2.557 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000491803043 429412644 /nfs/dbraw/zinc/41/26/44/429412644.db2.gz HZUYBHXHQYPFCG-PKOBYXMFSA-N 3 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000491803043 429412647 /nfs/dbraw/zinc/41/26/47/429412647.db2.gz HZUYBHXHQYPFCG-PKOBYXMFSA-N 3 1 305.510 2.574 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000369191810 429918859 /nfs/dbraw/zinc/91/88/59/429918859.db2.gz BWOWVBMZXJPQMX-QGZVFWFLSA-N 2 1 316.449 2.757 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000369191810 429918862 /nfs/dbraw/zinc/91/88/62/429918862.db2.gz BWOWVBMZXJPQMX-QGZVFWFLSA-N 2 1 316.449 2.757 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000369344065 429926001 /nfs/dbraw/zinc/92/60/01/429926001.db2.gz PETZALZWNAWRGJ-ATZDWAIDSA-N 2 1 313.445 2.537 20 30 DFEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCC(C)(C)C#N ZINC000369350894 429927649 /nfs/dbraw/zinc/92/76/49/429927649.db2.gz XSEHAJOVHKZSBQ-IKGGRYGDSA-N 2 1 307.482 2.890 20 30 DFEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCC(C)(C)C#N ZINC000369350895 429927732 /nfs/dbraw/zinc/92/77/32/429927732.db2.gz XSEHAJOVHKZSBQ-IXDOHACOSA-N 2 1 307.482 2.890 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](Cc2ccccc2)OC)CC1 ZINC000638524705 430367708 /nfs/dbraw/zinc/36/77/08/430367708.db2.gz REOOYYHZCCRTTO-IBGZPJMESA-N 2 1 302.462 2.874 20 30 DFEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657873325 430758625 /nfs/dbraw/zinc/75/86/25/430758625.db2.gz WQVCJUNLMRPUMV-RTBURBONSA-N 2 1 307.526 2.985 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603520 431191066 /nfs/dbraw/zinc/19/10/66/431191066.db2.gz RDBHAUDNTPUACO-WBVHZDCISA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@H](CO)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603520 431191074 /nfs/dbraw/zinc/19/10/74/431191074.db2.gz RDBHAUDNTPUACO-WBVHZDCISA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@H](CO)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603520 431191078 /nfs/dbraw/zinc/19/10/78/431191078.db2.gz RDBHAUDNTPUACO-WBVHZDCISA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)[C@H](CO)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603520 431191084 /nfs/dbraw/zinc/19/10/84/431191084.db2.gz RDBHAUDNTPUACO-WBVHZDCISA-N 2 1 308.491 2.747 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359883 431385129 /nfs/dbraw/zinc/38/51/29/431385129.db2.gz KGKDQRGKUHTDAO-UHFFFAOYSA-N 2 1 315.461 2.670 20 30 DFEDMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282154220 280187806 /nfs/dbraw/zinc/18/78/06/280187806.db2.gz CXEBKUFWVDZEQQ-GOSISDBHSA-N 2 1 314.477 2.625 20 30 DFEDMP C[C@@H](CC[NH2+]Cc1cnc2ccc(C#N)cn12)[NH+]1CCCCC1 ZINC000184330882 316164088 /nfs/dbraw/zinc/16/40/88/316164088.db2.gz HJIXWZVRXCEFAZ-HNNXBMFYSA-N 2 1 311.433 2.560 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC(C)(C)C)cc1F ZINC000104178757 332244406 /nfs/dbraw/zinc/24/44/06/332244406.db2.gz OFLNWPNUVPSDAX-UHFFFAOYSA-N 2 1 303.385 2.523 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1O ZINC000566230335 332264543 /nfs/dbraw/zinc/26/45/43/332264543.db2.gz FBILFJQVQYASTL-IBGZPJMESA-N 2 1 316.445 2.705 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(OC)c1O ZINC000566230335 332264544 /nfs/dbraw/zinc/26/45/44/332264544.db2.gz FBILFJQVQYASTL-IBGZPJMESA-N 2 1 316.445 2.705 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245634219 332498838 /nfs/dbraw/zinc/49/88/38/332498838.db2.gz UZKXLCSLZKBUEX-RCCFBDPRSA-N 2 1 304.478 2.964 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000378539992 333039711 /nfs/dbraw/zinc/03/97/11/333039711.db2.gz BKMSUURPTAEBIX-GUDVDZBRSA-N 2 1 300.446 2.689 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000294890684 335128567 /nfs/dbraw/zinc/12/85/67/335128567.db2.gz DZTHSPJSJBFHRX-HNNXBMFYSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000294890684 335128568 /nfs/dbraw/zinc/12/85/68/335128568.db2.gz DZTHSPJSJBFHRX-HNNXBMFYSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000295114215 335132034 /nfs/dbraw/zinc/13/20/34/335132034.db2.gz XSNIBFSANJDQOX-MRXNPFEDSA-N 2 1 304.459 2.777 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000295114215 335132035 /nfs/dbraw/zinc/13/20/35/335132035.db2.gz XSNIBFSANJDQOX-MRXNPFEDSA-N 2 1 304.459 2.777 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668980 333325928 /nfs/dbraw/zinc/32/59/28/333325928.db2.gz CRNMHCLPTNYLBK-RDJZCZTQSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668980 333325929 /nfs/dbraw/zinc/32/59/29/333325929.db2.gz CRNMHCLPTNYLBK-RDJZCZTQSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N(C)C2CC2)cc1 ZINC000273386630 334045931 /nfs/dbraw/zinc/04/59/31/334045931.db2.gz ZAPVSQVUDSDRFP-OAHLLOKOSA-N 2 1 314.477 2.970 20 30 DFEDMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)cc1C ZINC000277277986 334087534 /nfs/dbraw/zinc/08/75/34/334087534.db2.gz JWSVRLSSBMCTAC-MRXNPFEDSA-N 2 1 318.465 2.531 20 30 DFEDMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCC#N)cc1 ZINC000278955873 334104255 /nfs/dbraw/zinc/10/42/55/334104255.db2.gz LULNVBYEDMTZNQ-LSDHHAIUSA-N 2 1 310.401 2.699 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(OC)c1O ZINC000415062716 334262463 /nfs/dbraw/zinc/26/24/63/334262463.db2.gz FVYFFCKULUTNRT-MRXNPFEDSA-N 2 1 304.434 2.736 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000344657316 335269182 /nfs/dbraw/zinc/26/91/82/335269182.db2.gz AXUYLJXABADQEN-GDBMZVCRSA-N 2 1 304.434 2.832 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000344657316 335269184 /nfs/dbraw/zinc/26/91/84/335269184.db2.gz AXUYLJXABADQEN-GDBMZVCRSA-N 2 1 304.434 2.832 20 30 DFEDMP COc1ccc([C@H](CCC#N)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000582220958 336022955 /nfs/dbraw/zinc/02/29/55/336022955.db2.gz RJVBKEDJYMAFCP-YJBOKZPZSA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000582220958 336022957 /nfs/dbraw/zinc/02/29/57/336022957.db2.gz RJVBKEDJYMAFCP-YJBOKZPZSA-N 2 1 301.434 2.971 20 30 DFEDMP C[C@H](CCC#N)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351272629 336025145 /nfs/dbraw/zinc/02/51/45/336025145.db2.gz VKXWCSNJJSNQJP-ZACQAIPSSA-N 2 1 307.482 2.890 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000376160806 337028625 /nfs/dbraw/zinc/02/86/25/337028625.db2.gz FADRFWBYJZJIRV-MKXGPGLRSA-N 2 1 317.477 2.856 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2)nc(C)[nH+]1 ZINC000376460869 337033928 /nfs/dbraw/zinc/03/39/28/337033928.db2.gz BBOOGLCYEMFDTA-IKGGRYGDSA-N 2 1 313.449 2.734 20 30 DFEDMP N#CCC[C@H](C#N)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377767436 337060541 /nfs/dbraw/zinc/06/05/41/337060541.db2.gz MUFAOMDUDPHTSQ-VAMGGRTRSA-N 2 1 322.456 2.884 20 30 DFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000177507582 337156356 /nfs/dbraw/zinc/15/63/56/337156356.db2.gz LZBPKFCNAYGLLP-CALCHBBNSA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCC2(C1)CCCCC2 ZINC000262499860 337618690 /nfs/dbraw/zinc/61/86/90/337618690.db2.gz XXDLTYYXDYFURY-UHFFFAOYSA-N 2 1 317.481 2.813 20 30 DFEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000436314095 338268718 /nfs/dbraw/zinc/26/87/18/338268718.db2.gz XRGHFAAMBLWWCH-MANSERQUSA-N 2 1 324.509 2.694 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645772 214300048 /nfs/dbraw/zinc/30/00/48/214300048.db2.gz SMHVLGDYAJQXHL-HZPDHXFCSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645772 214300050 /nfs/dbraw/zinc/30/00/50/214300050.db2.gz SMHVLGDYAJQXHL-HZPDHXFCSA-N 2 1 301.434 2.710 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000066243177 398364205 /nfs/dbraw/zinc/36/42/05/398364205.db2.gz LXBJLJHYEDKTEV-HNNXBMFYSA-N 2 1 300.450 2.651 20 30 DFEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081634616 398364885 /nfs/dbraw/zinc/36/48/85/398364885.db2.gz RFIUKPKQYINFQC-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081634616 398364889 /nfs/dbraw/zinc/36/48/89/398364889.db2.gz RFIUKPKQYINFQC-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000081634616 398364893 /nfs/dbraw/zinc/36/48/93/398364893.db2.gz RFIUKPKQYINFQC-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000081634616 398364896 /nfs/dbraw/zinc/36/48/96/398364896.db2.gz RFIUKPKQYINFQC-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(Cl)cccc1C#N ZINC000596361586 398394534 /nfs/dbraw/zinc/39/45/34/398394534.db2.gz VZQADNVVNYMEDG-ZDUSSCGKSA-N 2 1 308.857 2.896 20 30 DFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(Cl)cccc1C#N ZINC000596361586 398394537 /nfs/dbraw/zinc/39/45/37/398394537.db2.gz VZQADNVVNYMEDG-ZDUSSCGKSA-N 2 1 308.857 2.896 20 30 DFEDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181493096 199305790 /nfs/dbraw/zinc/30/57/90/199305790.db2.gz HWMISXZBUQCLSI-QGZVFWFLSA-N 2 1 314.477 2.627 20 30 DFEDMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433633 398425635 /nfs/dbraw/zinc/42/56/35/398425635.db2.gz MQKXXHCIRAUAFF-QZTJIDSGSA-N 2 1 313.445 2.778 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000181774969 199350631 /nfs/dbraw/zinc/35/06/31/199350631.db2.gz JAZITIKUSUIVOL-WBVHZDCISA-N 2 1 313.445 2.710 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775308 199350640 /nfs/dbraw/zinc/35/06/40/199350640.db2.gz DKNACXOQAXRCPK-WBVHZDCISA-N 2 1 313.445 2.710 20 30 DFEDMP C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000337178687 398575446 /nfs/dbraw/zinc/57/54/46/398575446.db2.gz KNIZPOWJCIHARU-KBXCAEBGSA-N 2 1 324.428 2.618 20 30 DFEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882944 198263634 /nfs/dbraw/zinc/26/36/34/198263634.db2.gz JFRCEOQZWRVXFP-SFHVURJKSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882944 198263635 /nfs/dbraw/zinc/26/36/35/198263635.db2.gz JFRCEOQZWRVXFP-SFHVURJKSA-N 2 1 313.445 2.745 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000174228931 198308025 /nfs/dbraw/zinc/30/80/25/198308025.db2.gz INORCYSMIQJIAD-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000174228931 198308027 /nfs/dbraw/zinc/30/80/27/198308027.db2.gz INORCYSMIQJIAD-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP N#CC1CCC(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000594504685 398811391 /nfs/dbraw/zinc/81/13/91/398811391.db2.gz SENQZLSHLDMNBY-HTWSVDAQSA-N 2 1 305.466 2.549 20 30 DFEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000077965797 398931505 /nfs/dbraw/zinc/93/15/05/398931505.db2.gz NYYDOOSTGGHBEG-HOCLYGCPSA-N 2 1 320.868 2.813 20 30 DFEDMP CC(C)(C#N)CCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000595471442 398945957 /nfs/dbraw/zinc/94/59/57/398945957.db2.gz AUXZCMRTRAGBHZ-KRWDZBQOSA-N 2 1 307.482 2.893 20 30 DFEDMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1C#N ZINC000281571881 216392280 /nfs/dbraw/zinc/39/22/80/216392280.db2.gz CQOIEDKAISRARL-UHFFFAOYSA-N 2 1 301.434 2.777 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(OC)c1O ZINC000093088863 193201770 /nfs/dbraw/zinc/20/17/70/193201770.db2.gz AGBXDTRZLDHAFZ-UHFFFAOYSA-N 2 1 318.461 2.903 20 30 DFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600717962 399123329 /nfs/dbraw/zinc/12/33/29/399123329.db2.gz UJGGSZHFDFFJGS-SFHVURJKSA-N 2 1 315.461 2.671 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285469638 335026465 /nfs/dbraw/zinc/02/64/65/335026465.db2.gz HKGFKKIXWUKMEJ-UXHICEINSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469638 335026466 /nfs/dbraw/zinc/02/64/66/335026466.db2.gz HKGFKKIXWUKMEJ-UXHICEINSA-N 2 1 314.473 2.912 20 30 DFEDMP C#CC(C)(C)N(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000286355072 335033240 /nfs/dbraw/zinc/03/32/40/335033240.db2.gz XYGKUAZZCMTDHC-GOSISDBHSA-N 2 1 300.446 2.621 20 30 DFEDMP C#CC(C)(C)[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000286355072 335033242 /nfs/dbraw/zinc/03/32/42/335033242.db2.gz XYGKUAZZCMTDHC-GOSISDBHSA-N 2 1 300.446 2.621 20 30 DFEDMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)[nH+]1 ZINC000602456933 399449902 /nfs/dbraw/zinc/44/99/02/399449902.db2.gz CROJLQLVVYSJNE-OAHLLOKOSA-N 2 1 307.401 2.591 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516228 399465844 /nfs/dbraw/zinc/46/58/44/399465844.db2.gz WKDCOXZJKMQAFZ-IKGGRYGDSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000602516228 399465846 /nfs/dbraw/zinc/46/58/46/399465846.db2.gz WKDCOXZJKMQAFZ-IKGGRYGDSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602635460 399498785 /nfs/dbraw/zinc/49/87/85/399498785.db2.gz FJPGVAKJGMENFU-IEBWSBKVSA-N 2 1 315.461 2.807 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602635460 399498788 /nfs/dbraw/zinc/49/87/88/399498788.db2.gz FJPGVAKJGMENFU-IEBWSBKVSA-N 2 1 315.461 2.807 20 30 DFEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000358086705 148238228 /nfs/dbraw/zinc/23/82/28/148238228.db2.gz OJKZECGMRJIBGS-PBHICJAKSA-N 2 1 303.475 2.721 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000668785333 543867769 /nfs/dbraw/zinc/86/77/69/543867769.db2.gz PDZGFNPGNLUZFF-LJQANCHMSA-N 2 1 318.461 2.794 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000668785333 543867772 /nfs/dbraw/zinc/86/77/72/543867772.db2.gz PDZGFNPGNLUZFF-LJQANCHMSA-N 2 1 318.461 2.794 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723638 544103184 /nfs/dbraw/zinc/10/31/84/544103184.db2.gz DMOAWNHLAMIJAO-RBUKOAKNSA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723638 544103187 /nfs/dbraw/zinc/10/31/87/544103187.db2.gz DMOAWNHLAMIJAO-RBUKOAKNSA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723638 544103189 /nfs/dbraw/zinc/10/31/89/544103189.db2.gz DMOAWNHLAMIJAO-RBUKOAKNSA-N 2 1 300.446 2.521 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000157400978 425937736 /nfs/dbraw/zinc/93/77/36/425937736.db2.gz FNUUJPARGLHCNM-HNNXBMFYSA-N 2 1 318.465 2.790 20 30 DFEDMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353521121 266115393 /nfs/dbraw/zinc/11/53/93/266115393.db2.gz PAODYDILQIIDKE-MRXNPFEDSA-N 2 1 314.477 2.847 20 30 DFEDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442808098 267017407 /nfs/dbraw/zinc/01/74/07/267017407.db2.gz GLAUBCIIXIOKQP-UHFFFAOYSA-N 2 1 301.434 2.873 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442808098 267017411 /nfs/dbraw/zinc/01/74/11/267017411.db2.gz GLAUBCIIXIOKQP-UHFFFAOYSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000135102922 426204990 /nfs/dbraw/zinc/20/49/90/426204990.db2.gz XKONRASCDVEQTN-QGZVFWFLSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C#N ZINC000135102922 426204992 /nfs/dbraw/zinc/20/49/92/426204992.db2.gz XKONRASCDVEQTN-QGZVFWFLSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C#N ZINC000135102922 426204995 /nfs/dbraw/zinc/20/49/95/426204995.db2.gz XKONRASCDVEQTN-QGZVFWFLSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C#N ZINC000135102922 426204998 /nfs/dbraw/zinc/20/49/98/426204998.db2.gz XKONRASCDVEQTN-QGZVFWFLSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000135102922 426205000 /nfs/dbraw/zinc/20/50/00/426205000.db2.gz XKONRASCDVEQTN-QGZVFWFLSA-N 2 1 301.434 2.873 20 30 DFEDMP COc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1C#N ZINC000135091630 426205293 /nfs/dbraw/zinc/20/52/93/426205293.db2.gz IDUPKGIYFASMJP-MRXNPFEDSA-N 2 1 322.412 2.896 20 30 DFEDMP C=CCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000117879402 426225170 /nfs/dbraw/zinc/22/51/70/426225170.db2.gz OFWXRPKDXHQUBK-UHFFFAOYSA-N 2 1 301.478 2.702 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136868933 426247278 /nfs/dbraw/zinc/24/72/78/426247278.db2.gz JJJFDXHQQPEFLV-DOTOQJQBSA-N 2 1 302.466 2.554 20 30 DFEDMP C[C@H]1C[C@H](CNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000136868587 426247429 /nfs/dbraw/zinc/24/74/29/426247429.db2.gz SLOCJBJUUPIUEU-FUHWJXTLSA-N 2 1 314.477 2.698 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000176970668 426429869 /nfs/dbraw/zinc/42/98/69/426429869.db2.gz LALLVSVHJNEIPU-RHSMWYFYSA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000176970668 426429871 /nfs/dbraw/zinc/42/98/71/426429871.db2.gz LALLVSVHJNEIPU-RHSMWYFYSA-N 2 1 321.490 2.846 20 30 DFEDMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000123751357 426451330 /nfs/dbraw/zinc/45/13/30/426451330.db2.gz GOQAMQXVWWLAMR-HNNXBMFYSA-N 2 1 312.392 2.886 20 30 DFEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCCCC1 ZINC000195290873 426511876 /nfs/dbraw/zinc/51/18/76/426511876.db2.gz OWQOVIAXMMAPQU-QGZVFWFLSA-N 2 1 314.477 2.746 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266578619 426743588 /nfs/dbraw/zinc/74/35/88/426743588.db2.gz GWUQDFRHVOCXLC-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266578619 426743589 /nfs/dbraw/zinc/74/35/89/426743589.db2.gz GWUQDFRHVOCXLC-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282154226 426841761 /nfs/dbraw/zinc/84/17/61/426841761.db2.gz CXEBKUFWVDZEQQ-SFHVURJKSA-N 2 1 314.477 2.625 20 30 DFEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275500323 426865948 /nfs/dbraw/zinc/86/59/48/426865948.db2.gz JNISMWSNYCLBIE-QGZVFWFLSA-N 2 1 309.413 2.637 20 30 DFEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000267363220 426879028 /nfs/dbraw/zinc/87/90/28/426879028.db2.gz WVZZYBRMWKVZGG-AWEZNQCLSA-N 2 1 300.450 2.634 20 30 DFEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC1 ZINC000181481347 426954025 /nfs/dbraw/zinc/95/40/25/426954025.db2.gz DUTKUKRSBZWQNR-SWLSCSKDSA-N 2 1 306.479 2.540 20 30 DFEDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC000191270558 427304571 /nfs/dbraw/zinc/30/45/71/427304571.db2.gz RVJYSURTYGPOQA-UHFFFAOYSA-N 2 1 300.450 2.783 20 30 DFEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCCC1 ZINC000261890497 427343290 /nfs/dbraw/zinc/34/32/90/427343290.db2.gz SZAHIXLXPAWLGN-CQSZACIVSA-N 2 1 320.506 2.807 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1cc(F)ccc1F ZINC000262259432 427354420 /nfs/dbraw/zinc/35/44/20/427354420.db2.gz FWZGTGCICGUUGF-ZDUSSCGKSA-N 2 1 308.376 2.708 20 30 DFEDMP CC(C)[NH+]1CCC([N@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000263751047 427557216 /nfs/dbraw/zinc/55/72/16/427557216.db2.gz SLHYSOSBLUJDEC-UHFFFAOYSA-N 2 1 301.434 2.742 20 30 DFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000263751047 427557224 /nfs/dbraw/zinc/55/72/24/427557224.db2.gz SLHYSOSBLUJDEC-UHFFFAOYSA-N 2 1 301.434 2.742 20 30 DFEDMP C#CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271520208 427569116 /nfs/dbraw/zinc/56/91/16/427569116.db2.gz QBQAVRURMLUBFY-WMZOPIPTSA-N 2 1 302.487 2.853 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOCCC#N)CC1 ZINC000339026175 427633458 /nfs/dbraw/zinc/63/34/58/427633458.db2.gz WMIVUHTZWRQARG-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000337170414 427808829 /nfs/dbraw/zinc/80/88/29/427808829.db2.gz CTSJPLAOJQIFRW-DLBZAZTESA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000337170414 427808830 /nfs/dbraw/zinc/80/88/30/427808830.db2.gz CTSJPLAOJQIFRW-DLBZAZTESA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000337170414 427808833 /nfs/dbraw/zinc/80/88/33/427808833.db2.gz CTSJPLAOJQIFRW-DLBZAZTESA-N 2 1 307.482 2.749 20 30 DFEDMP C[N@H+](CCOc1ccccc1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000351596507 428101032 /nfs/dbraw/zinc/10/10/32/428101032.db2.gz IUGHSDVOMXIBMT-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@@H+](CCOc1ccccc1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000351596507 428101034 /nfs/dbraw/zinc/10/10/34/428101034.db2.gz IUGHSDVOMXIBMT-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccccc1C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000351596507 428101039 /nfs/dbraw/zinc/10/10/39/428101039.db2.gz IUGHSDVOMXIBMT-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccccc1C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000351596507 428101042 /nfs/dbraw/zinc/10/10/42/428101042.db2.gz IUGHSDVOMXIBMT-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341882216 428240788 /nfs/dbraw/zinc/24/07/88/428240788.db2.gz GPHSVDNPFPAGBS-NEWSRXKRSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341882216 428240793 /nfs/dbraw/zinc/24/07/93/428240793.db2.gz GPHSVDNPFPAGBS-NEWSRXKRSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346848872 428345020 /nfs/dbraw/zinc/34/50/20/428345020.db2.gz OODQDXDCXRIROC-GVDBMIGSSA-N 2 1 316.445 2.689 20 30 DFEDMP C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347026377 428413343 /nfs/dbraw/zinc/41/33/43/428413343.db2.gz SZFLQCUWGXBMBU-SJPCQFCGSA-N 2 1 316.445 2.975 20 30 DFEDMP C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347026377 428413351 /nfs/dbraw/zinc/41/33/51/428413351.db2.gz SZFLQCUWGXBMBU-SJPCQFCGSA-N 2 1 316.445 2.975 20 30 DFEDMP N#Cc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000372206054 428422832 /nfs/dbraw/zinc/42/28/32/428422832.db2.gz YQKAISDGUWPQFZ-QYZOEREBSA-N 2 1 324.472 2.743 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361805400 428597903 /nfs/dbraw/zinc/59/79/03/428597903.db2.gz ZSHXJYVGBPEQTF-QGZVFWFLSA-N 2 1 300.450 2.589 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362032973 428610764 /nfs/dbraw/zinc/61/07/64/428610764.db2.gz RFZVCBOXKLEPRD-SPOLIRPYSA-N 2 1 319.493 2.936 20 30 DFEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358743066 428653846 /nfs/dbraw/zinc/65/38/46/428653846.db2.gz KAMBQAOWYFMGRO-KRWDZBQOSA-N 2 1 323.525 2.757 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000363616712 428955816 /nfs/dbraw/zinc/95/58/16/428955816.db2.gz NJJQYEROMWDUCS-SJORKVTESA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363616712 428955818 /nfs/dbraw/zinc/95/58/18/428955818.db2.gz NJJQYEROMWDUCS-SJORKVTESA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(OC)c1O ZINC000422558905 429051086 /nfs/dbraw/zinc/05/10/86/429051086.db2.gz BFFZLKVIBUIWFX-VBQJREDUSA-N 2 1 318.461 2.935 20 30 DFEDMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C#N)c(F)c1 ZINC000423184013 429054792 /nfs/dbraw/zinc/05/47/92/429054792.db2.gz HFSGSRFSSRGMRP-CQSZACIVSA-N 2 1 312.392 2.923 20 30 DFEDMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1C#N ZINC000423129618 429054884 /nfs/dbraw/zinc/05/48/84/429054884.db2.gz XHAJMBSFDGFBJY-KDOFPFPSSA-N 2 1 309.413 2.615 20 30 DFEDMP COc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1C#N ZINC000440625933 429226552 /nfs/dbraw/zinc/22/65/52/429226552.db2.gz PQLSKKUXVUEGBO-HNNXBMFYSA-N 2 1 301.434 2.921 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000491070518 429321224 /nfs/dbraw/zinc/32/12/24/429321224.db2.gz CTHBFZBEGHSHNA-JKSUJKDBSA-N 2 1 318.461 2.741 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000491070518 429321228 /nfs/dbraw/zinc/32/12/28/429321228.db2.gz CTHBFZBEGHSHNA-JKSUJKDBSA-N 2 1 318.461 2.741 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000491070517 429321761 /nfs/dbraw/zinc/32/17/61/429321761.db2.gz CTHBFZBEGHSHNA-HZPDHXFCSA-N 2 1 318.461 2.741 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000491070517 429321766 /nfs/dbraw/zinc/32/17/66/429321766.db2.gz CTHBFZBEGHSHNA-HZPDHXFCSA-N 2 1 318.461 2.741 20 30 DFEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000365430457 429317054 /nfs/dbraw/zinc/31/70/54/429317054.db2.gz FPZSOBAALRCTHT-GOSISDBHSA-N 2 1 320.525 2.807 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521206 429442809 /nfs/dbraw/zinc/44/28/09/429442809.db2.gz RCZOOMPTGCDGJX-OWYHZJEWSA-N 2 1 300.446 2.973 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521206 429442813 /nfs/dbraw/zinc/44/28/13/429442813.db2.gz RCZOOMPTGCDGJX-OWYHZJEWSA-N 2 1 300.446 2.973 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449700249 429483668 /nfs/dbraw/zinc/48/36/68/429483668.db2.gz SQHXYLNUVUYBPN-QXAKKESOSA-N 2 1 302.462 2.956 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449700249 429483671 /nfs/dbraw/zinc/48/36/71/429483671.db2.gz SQHXYLNUVUYBPN-QXAKKESOSA-N 2 1 302.462 2.956 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000368415704 429846803 /nfs/dbraw/zinc/84/68/03/429846803.db2.gz DCDRRUBTOXTANW-IKGGRYGDSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000369344066 429925874 /nfs/dbraw/zinc/92/58/74/429925874.db2.gz PETZALZWNAWRGJ-AYOQOUSVSA-N 2 1 313.445 2.537 20 30 DFEDMP C=CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063872 430109815 /nfs/dbraw/zinc/10/98/15/430109815.db2.gz MVIXWUYJDXFLOK-ROUUACIJSA-N 2 1 300.446 2.710 20 30 DFEDMP C=CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063872 430109819 /nfs/dbraw/zinc/10/98/19/430109819.db2.gz MVIXWUYJDXFLOK-ROUUACIJSA-N 2 1 300.446 2.710 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180722 430276495 /nfs/dbraw/zinc/27/64/95/430276495.db2.gz MTRNGDOQELLQJG-RTBURBONSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180722 430276500 /nfs/dbraw/zinc/27/65/00/430276500.db2.gz MTRNGDOQELLQJG-RTBURBONSA-N 2 1 314.473 2.958 20 30 DFEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648773399 430886652 /nfs/dbraw/zinc/88/66/52/430886652.db2.gz HNYMCYFOIMOLPF-OAHLLOKOSA-N 2 1 318.465 2.553 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649336936 431070422 /nfs/dbraw/zinc/07/04/22/431070422.db2.gz PMKXOJKDTHYTMJ-WOJBJXKFSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649336936 431070426 /nfs/dbraw/zinc/07/04/26/431070426.db2.gz PMKXOJKDTHYTMJ-WOJBJXKFSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649336936 431070429 /nfs/dbraw/zinc/07/04/29/431070429.db2.gz PMKXOJKDTHYTMJ-WOJBJXKFSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CC[C@@]1(C(=O)NCCC[N@H+](CC)C2CCCCC2)CCC[NH2+]1 ZINC000662829521 431207626 /nfs/dbraw/zinc/20/76/26/431207626.db2.gz TVTXHQZVOUZABU-IBGZPJMESA-N 2 1 321.509 2.846 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000295067658 335131775 /nfs/dbraw/zinc/13/17/75/335131775.db2.gz RSPYYFYNTUGHLK-MRXNPFEDSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000295067658 335131776 /nfs/dbraw/zinc/13/17/76/335131776.db2.gz RSPYYFYNTUGHLK-MRXNPFEDSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364674383 333326050 /nfs/dbraw/zinc/32/60/50/333326050.db2.gz SARCNSXMFXYFQR-SFHVURJKSA-N 2 1 323.440 2.980 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364674383 333326051 /nfs/dbraw/zinc/32/60/51/333326051.db2.gz SARCNSXMFXYFQR-SFHVURJKSA-N 2 1 323.440 2.980 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272695311 334039015 /nfs/dbraw/zinc/03/90/15/334039015.db2.gz XQGRCVRHSXRXSL-PKOBYXMFSA-N 2 1 312.461 2.562 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272695311 334039017 /nfs/dbraw/zinc/03/90/17/334039017.db2.gz XQGRCVRHSXRXSL-PKOBYXMFSA-N 2 1 312.461 2.562 20 30 DFEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484584 334172943 /nfs/dbraw/zinc/17/29/43/334172943.db2.gz OEMZMOPRLCQNRV-APWZRJJASA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484584 334172944 /nfs/dbraw/zinc/17/29/44/334172944.db2.gz OEMZMOPRLCQNRV-APWZRJJASA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484584 334172945 /nfs/dbraw/zinc/17/29/45/334172945.db2.gz OEMZMOPRLCQNRV-APWZRJJASA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484584 334172946 /nfs/dbraw/zinc/17/29/46/334172946.db2.gz OEMZMOPRLCQNRV-APWZRJJASA-N 2 1 314.477 2.808 20 30 DFEDMP CN(C(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000290727380 334174602 /nfs/dbraw/zinc/17/46/02/334174602.db2.gz VQWZXLSUGHMREM-KRWDZBQOSA-N 2 1 314.477 2.698 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415055285 334261761 /nfs/dbraw/zinc/26/17/61/334261761.db2.gz ODMPJERALCRJBB-RDTXWAMCSA-N 2 1 304.434 2.677 20 30 DFEDMP C[NH+]1CCC2(CCC[N@@H+](CCCC3(C#N)CCOCC3)C2)CC1 ZINC000366903515 335333968 /nfs/dbraw/zinc/33/39/68/335333968.db2.gz OQGIAESSXCKUCE-UHFFFAOYSA-N 2 1 319.493 2.895 20 30 DFEDMP COc1ccc([C@@H](CCC#N)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000582220955 336022882 /nfs/dbraw/zinc/02/28/82/336022882.db2.gz RJVBKEDJYMAFCP-CRAIPNDOSA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000582220955 336022883 /nfs/dbraw/zinc/02/28/83/336022883.db2.gz RJVBKEDJYMAFCP-CRAIPNDOSA-N 2 1 301.434 2.971 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000376115565 337027417 /nfs/dbraw/zinc/02/74/17/337027417.db2.gz OTDQUPCZADLGPG-GOEBONIOSA-N 2 1 310.401 2.526 20 30 DFEDMP N#CCSCCC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432114388 338145986 /nfs/dbraw/zinc/14/59/86/338145986.db2.gz JWCVVPLPSVVNJS-AWEZNQCLSA-N 2 1 304.463 2.656 20 30 DFEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999798 338358108 /nfs/dbraw/zinc/35/81/08/338358108.db2.gz NBGOZBQEWWLSMW-PMACEKPBSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000438999798 338358109 /nfs/dbraw/zinc/35/81/09/338358109.db2.gz NBGOZBQEWWLSMW-PMACEKPBSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CCC[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543608440 341050979 /nfs/dbraw/zinc/05/09/79/341050979.db2.gz NQKZFIIRCJCPOG-HZPDHXFCSA-N 2 1 307.507 2.981 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000581066377 398387554 /nfs/dbraw/zinc/38/75/54/398387554.db2.gz LNBPXYHITKKWHG-VQIMIIECSA-N 2 1 302.462 2.781 20 30 DFEDMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1C#N ZINC000592433634 398425754 /nfs/dbraw/zinc/42/57/54/398425754.db2.gz MQKXXHCIRAUAFF-ROUUACIJSA-N 2 1 313.445 2.778 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775326 199350840 /nfs/dbraw/zinc/35/08/40/199350840.db2.gz DKNACXOQAXRCPK-DOTOQJQBSA-N 2 1 313.445 2.710 20 30 DFEDMP C=CCCC[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000091514322 398534527 /nfs/dbraw/zinc/53/45/27/398534527.db2.gz PFSJUIGAHCLLNC-QGZVFWFLSA-N 2 1 321.509 2.607 20 30 DFEDMP C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370356647 398654108 /nfs/dbraw/zinc/65/41/08/398654108.db2.gz CTYFROHINQNBMH-YQQQUEKLSA-N 2 1 300.446 2.974 20 30 DFEDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C#N ZINC000174352051 198323439 /nfs/dbraw/zinc/32/34/39/198323439.db2.gz UBYMQJLVEDZYBU-MRXNPFEDSA-N 2 1 301.434 2.777 20 30 DFEDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1C#N ZINC000174352051 198323441 /nfs/dbraw/zinc/32/34/41/198323441.db2.gz UBYMQJLVEDZYBU-MRXNPFEDSA-N 2 1 301.434 2.777 20 30 DFEDMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2C1 ZINC000594438222 398802012 /nfs/dbraw/zinc/80/20/12/398802012.db2.gz NHQGDUZYYYAJRD-INIZCTEOSA-N 2 1 314.433 2.762 20 30 DFEDMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2C1 ZINC000594438222 398802014 /nfs/dbraw/zinc/80/20/14/398802014.db2.gz NHQGDUZYYYAJRD-INIZCTEOSA-N 2 1 314.433 2.762 20 30 DFEDMP C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612412 398841487 /nfs/dbraw/zinc/84/14/87/398841487.db2.gz OZCUCSPCBYDGDX-YQQAZPJKSA-N 2 1 307.482 2.530 20 30 DFEDMP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000594944579 398878114 /nfs/dbraw/zinc/87/81/14/398878114.db2.gz KJSBPJGPOOGPRU-INIZCTEOSA-N 2 1 306.413 2.790 20 30 DFEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305818977 299289243 /nfs/dbraw/zinc/28/92/43/299289243.db2.gz NSVKPZRQHAXOPL-GOEBONIOSA-N 2 1 319.424 2.585 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000599355266 398959514 /nfs/dbraw/zinc/95/95/14/398959514.db2.gz XKIAOCUICISVND-KBXCAEBGSA-N 2 1 324.428 2.886 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250774 212224458 /nfs/dbraw/zinc/22/44/58/212224458.db2.gz GPVHVFIZGHNBOC-HOTGVXAUSA-N 2 1 303.450 2.644 20 30 DFEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250774 212224461 /nfs/dbraw/zinc/22/44/61/212224461.db2.gz GPVHVFIZGHNBOC-HOTGVXAUSA-N 2 1 303.450 2.644 20 30 DFEDMP C#CCCC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283321075 335003805 /nfs/dbraw/zinc/00/38/05/335003805.db2.gz YMXLYYIEOPBFHT-HNNXBMFYSA-N 2 1 303.475 2.843 20 30 DFEDMP C#CCCC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283321075 335003806 /nfs/dbraw/zinc/00/38/06/335003806.db2.gz YMXLYYIEOPBFHT-HNNXBMFYSA-N 2 1 303.475 2.843 20 30 DFEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C#N ZINC000600707589 399119929 /nfs/dbraw/zinc/11/99/29/399119929.db2.gz BWSJDUYSHBZEOJ-GUDVDZBRSA-N 2 1 313.445 2.728 20 30 DFEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711065 399120792 /nfs/dbraw/zinc/12/07/92/399120792.db2.gz QRRRKFNYUQZBGR-WDSOQIARSA-N 2 1 313.445 2.585 20 30 DFEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000614403869 399227190 /nfs/dbraw/zinc/22/71/90/399227190.db2.gz ULZJJHSYXBGOOL-CEXWTWQISA-N 2 1 313.445 2.550 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285469640 335026388 /nfs/dbraw/zinc/02/63/88/335026388.db2.gz HKGFKKIXWUKMEJ-VQTJNVASSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469640 335026390 /nfs/dbraw/zinc/02/63/90/335026390.db2.gz HKGFKKIXWUKMEJ-VQTJNVASSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(OC)c1O ZINC000623655859 399437427 /nfs/dbraw/zinc/43/74/27/399437427.db2.gz HRQXBAGJERPABK-HNNXBMFYSA-N 2 1 318.461 2.951 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602510364 399463974 /nfs/dbraw/zinc/46/39/74/399463974.db2.gz MRVYTKPUPWXDDW-CABCVRRESA-N 2 1 304.438 2.516 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000602516350 399465541 /nfs/dbraw/zinc/46/55/41/399465541.db2.gz ZMSNHZGROLQUAB-BRWVUGGUSA-N 2 1 307.482 2.938 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000602516350 399465544 /nfs/dbraw/zinc/46/55/44/399465544.db2.gz ZMSNHZGROLQUAB-BRWVUGGUSA-N 2 1 307.482 2.938 20 30 DFEDMP CC(C)(O)C[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000602579595 399481597 /nfs/dbraw/zinc/48/15/97/399481597.db2.gz BLAONTIGXMZLHR-GOSISDBHSA-N 2 1 315.461 2.856 20 30 DFEDMP Cc1cc(N2CCC([NH2+]C3CCC(C#N)CC3)CC2)nc(C)[nH+]1 ZINC000602589350 399485329 /nfs/dbraw/zinc/48/53/29/399485329.db2.gz QHAJFFBMFIBMHP-UHFFFAOYSA-N 2 1 313.449 2.734 20 30 DFEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000156493335 197118061 /nfs/dbraw/zinc/11/80/61/197118061.db2.gz FXBQNLVGBKZHRK-GOSISDBHSA-N 2 1 313.445 2.745 20 30 DFEDMP Cn1c[nH+]cc1CCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602900928 399619463 /nfs/dbraw/zinc/61/94/63/399619463.db2.gz OTXLFUMGBYKFOO-UHFFFAOYSA-N 2 1 323.444 2.801 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339072250 543140180 /nfs/dbraw/zinc/14/01/80/543140180.db2.gz VICIPBXDMHKHIE-GBESFXJTSA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339072250 543140181 /nfs/dbraw/zinc/14/01/81/543140181.db2.gz VICIPBXDMHKHIE-GBESFXJTSA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339072250 543140183 /nfs/dbraw/zinc/14/01/83/543140183.db2.gz VICIPBXDMHKHIE-GBESFXJTSA-N 2 1 305.510 2.901 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290643696 335074259 /nfs/dbraw/zinc/07/42/59/335074259.db2.gz YPWMDUNDEINIGA-APWZRJJASA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290643696 335074260 /nfs/dbraw/zinc/07/42/60/335074260.db2.gz YPWMDUNDEINIGA-APWZRJJASA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290643696 335074261 /nfs/dbraw/zinc/07/42/61/335074261.db2.gz YPWMDUNDEINIGA-APWZRJJASA-N 2 1 300.446 2.861 20 30 DFEDMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290643696 335074262 /nfs/dbraw/zinc/07/42/62/335074262.db2.gz YPWMDUNDEINIGA-APWZRJJASA-N 2 1 300.446 2.861 20 30 DFEDMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000124993575 425948335 /nfs/dbraw/zinc/94/83/35/425948335.db2.gz SIELFSDEGONEPG-HNNXBMFYSA-N 2 1 301.434 2.778 20 30 DFEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158879087 425950107 /nfs/dbraw/zinc/95/01/07/425950107.db2.gz LOSDNZPEFFOFOC-IRXDYDNUSA-N 2 1 321.509 2.654 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873008 426247233 /nfs/dbraw/zinc/24/72/33/426247233.db2.gz XGXYQBCZRZPDAM-WBVHZDCISA-N 2 1 302.466 2.601 20 30 DFEDMP C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@H]1CC[NH+](C)C1 ZINC000120984479 426317365 /nfs/dbraw/zinc/31/73/65/426317365.db2.gz HQWLXCJITMPQOH-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@H]1CC[NH+](C)C1 ZINC000120984479 426317367 /nfs/dbraw/zinc/31/73/67/426317367.db2.gz HQWLXCJITMPQOH-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@H]1CC[N@H+](C)C1 ZINC000120984479 426317371 /nfs/dbraw/zinc/31/73/71/426317371.db2.gz HQWLXCJITMPQOH-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000120984479 426317375 /nfs/dbraw/zinc/31/73/75/426317375.db2.gz HQWLXCJITMPQOH-KRWDZBQOSA-N 2 1 301.434 2.753 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000121724334 426352721 /nfs/dbraw/zinc/35/27/21/426352721.db2.gz UZKXLCSLZKBUEX-BZSNNMDCSA-N 2 1 304.478 2.964 20 30 DFEDMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000290663708 426814803 /nfs/dbraw/zinc/81/48/03/426814803.db2.gz ZVNXORUTKXXVRH-SFHVURJKSA-N 2 1 313.445 2.731 20 30 DFEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000277323650 427163852 /nfs/dbraw/zinc/16/38/52/427163852.db2.gz VDYRQESVHCISDA-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP CN(C)C(=[NH+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000262349684 427356970 /nfs/dbraw/zinc/35/69/70/427356970.db2.gz YRMSJKRRXQMRDY-GOSISDBHSA-N 2 1 316.493 2.768 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc2c1CCCC2 ZINC000262421070 427358835 /nfs/dbraw/zinc/35/88/35/427358835.db2.gz BBAFUTZRMAJTNN-AWEZNQCLSA-N 2 1 312.461 2.776 20 30 DFEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]CC)N2CCc3ccccc32)C1 ZINC000263258095 427448166 /nfs/dbraw/zinc/44/81/66/427448166.db2.gz ROSGNNGMLHVKKJ-MRXNPFEDSA-N 2 1 314.477 2.747 20 30 DFEDMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000278735776 427448423 /nfs/dbraw/zinc/44/84/23/427448423.db2.gz NCBBEXMREXOJDR-LJQANCHMSA-N 2 1 314.477 2.627 20 30 DFEDMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000377299435 428102547 /nfs/dbraw/zinc/10/25/47/428102547.db2.gz QXRZJKPUKYTCGT-OALUTQOASA-N 2 1 306.413 2.736 20 30 DFEDMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000377299435 428102549 /nfs/dbraw/zinc/10/25/49/428102549.db2.gz QXRZJKPUKYTCGT-OALUTQOASA-N 2 1 306.413 2.736 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(OC)c1O ZINC000346693857 428276079 /nfs/dbraw/zinc/27/60/79/428276079.db2.gz QEAVSRKAWKPGNC-MRXNPFEDSA-N 2 1 306.450 2.935 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000356835850 428331060 /nfs/dbraw/zinc/33/10/60/428331060.db2.gz CRCXMGXBZYZUIB-VNTMZGSJSA-N 2 1 314.473 2.671 20 30 DFEDMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)ccc1C#N ZINC000414792903 428412918 /nfs/dbraw/zinc/41/29/18/428412918.db2.gz RXDSXGAYVRAOAZ-UHFFFAOYSA-N 2 1 301.434 2.908 20 30 DFEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357091271 428382999 /nfs/dbraw/zinc/38/29/99/428382999.db2.gz WYEYRGYGVUWDGT-INIZCTEOSA-N 2 1 321.509 2.511 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344061702 428622876 /nfs/dbraw/zinc/62/28/76/428622876.db2.gz BAIFRMXUYFPJMG-UHFFFAOYSA-N 2 1 312.417 2.602 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344061702 428622880 /nfs/dbraw/zinc/62/28/80/428622880.db2.gz BAIFRMXUYFPJMG-UHFFFAOYSA-N 2 1 312.417 2.602 20 30 DFEDMP C=CCOCCC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000348112434 428637894 /nfs/dbraw/zinc/63/78/94/428637894.db2.gz FSZWNDLXOUHPIM-MRXNPFEDSA-N 2 1 303.450 2.910 20 30 DFEDMP C=CCOCCC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000348112434 428637897 /nfs/dbraw/zinc/63/78/97/428637897.db2.gz FSZWNDLXOUHPIM-MRXNPFEDSA-N 2 1 303.450 2.910 20 30 DFEDMP N#CC1(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCOCC1 ZINC000374161201 428665470 /nfs/dbraw/zinc/66/54/70/428665470.db2.gz LUGJEWNHNCHIBS-KZNAEPCWSA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCOCC1 ZINC000374161201 428665474 /nfs/dbraw/zinc/66/54/74/428665474.db2.gz LUGJEWNHNCHIBS-KZNAEPCWSA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCOCC1 ZINC000374161201 428665478 /nfs/dbraw/zinc/66/54/78/428665478.db2.gz LUGJEWNHNCHIBS-KZNAEPCWSA-N 2 1 317.477 2.503 20 30 DFEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362232474 428669686 /nfs/dbraw/zinc/66/96/86/428669686.db2.gz BWUDUNJRTOERBS-ICUGJSFKSA-N 2 1 305.466 2.548 20 30 DFEDMP CCN1CCC[C@@H](C[N@@H+](C)[C@H](C)CCC#N)[C@@H]1c1cnn(C)c1 ZINC000411585923 428818880 /nfs/dbraw/zinc/81/88/80/428818880.db2.gz UKLBOKBKFWFWFU-SOLBZPMBSA-N 2 1 317.481 2.817 20 30 DFEDMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@@H](C#N)C3)CCCC2)CC1 ZINC000442787369 429235809 /nfs/dbraw/zinc/23/58/09/429235809.db2.gz DCBGIUSRZMRHJI-CVEARBPZSA-N 2 1 305.466 2.692 20 30 DFEDMP C=CC[C@H]1[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444790244 429277401 /nfs/dbraw/zinc/27/74/01/429277401.db2.gz HSNYOSBFLVWQIO-QGZVFWFLSA-N 2 1 321.509 2.654 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000491072035 429323470 /nfs/dbraw/zinc/32/34/70/429323470.db2.gz PHUJIDGHMLKEPG-AWEZNQCLSA-N 2 1 313.445 2.522 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000491072035 429323471 /nfs/dbraw/zinc/32/34/71/429323471.db2.gz PHUJIDGHMLKEPG-AWEZNQCLSA-N 2 1 313.445 2.522 20 30 DFEDMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000491147470 429327794 /nfs/dbraw/zinc/32/77/94/429327794.db2.gz RUSBUUOQRDDZIY-UHFFFAOYSA-N 2 1 305.510 2.670 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000491165141 429329556 /nfs/dbraw/zinc/32/95/56/429329556.db2.gz IVJYEIJLORHFCL-PKOBYXMFSA-N 2 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000491165141 429329561 /nfs/dbraw/zinc/32/95/61/429329561.db2.gz IVJYEIJLORHFCL-PKOBYXMFSA-N 2 1 305.510 2.574 20 30 DFEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000365621576 429353185 /nfs/dbraw/zinc/35/31/85/429353185.db2.gz IGBDXAGLMQPJAD-OAHLLOKOSA-N 2 1 310.401 2.680 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000366536446 429471840 /nfs/dbraw/zinc/47/18/40/429471840.db2.gz QYIGGHGMISULQM-IBGZPJMESA-N 2 1 312.461 2.564 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449700247 429483981 /nfs/dbraw/zinc/48/39/81/429483981.db2.gz SQHXYLNUVUYBPN-BHIYHBOVSA-N 2 1 302.462 2.956 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449700247 429483983 /nfs/dbraw/zinc/48/39/83/429483983.db2.gz SQHXYLNUVUYBPN-BHIYHBOVSA-N 2 1 302.462 2.956 20 30 DFEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420514 429821848 /nfs/dbraw/zinc/82/18/48/429821848.db2.gz KPHWULIENOEQDU-HOTGVXAUSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420514 429821850 /nfs/dbraw/zinc/82/18/50/429821850.db2.gz KPHWULIENOEQDU-HOTGVXAUSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420413 429822502 /nfs/dbraw/zinc/82/25/02/429822502.db2.gz KPHWULIENOEQDU-CVEARBPZSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000432420413 429822505 /nfs/dbraw/zinc/82/25/05/429822505.db2.gz KPHWULIENOEQDU-CVEARBPZSA-N 2 1 301.434 2.710 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000573199050 429932182 /nfs/dbraw/zinc/93/21/82/429932182.db2.gz HWVORVQTHYMKBG-UHFFFAOYSA-N 2 1 321.852 2.909 20 30 DFEDMP C=CC[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063867 430110185 /nfs/dbraw/zinc/11/01/85/430110185.db2.gz MVIXWUYJDXFLOK-MSOLQXFVSA-N 2 1 300.446 2.710 20 30 DFEDMP C=CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063867 430110187 /nfs/dbraw/zinc/11/01/87/430110187.db2.gz MVIXWUYJDXFLOK-MSOLQXFVSA-N 2 1 300.446 2.710 20 30 DFEDMP CN(Cc1ccc(C#N)cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584208891 430468947 /nfs/dbraw/zinc/46/89/47/430468947.db2.gz NNFRGPBZAGMKPO-IBGZPJMESA-N 2 1 320.440 2.907 20 30 DFEDMP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143464 430823481 /nfs/dbraw/zinc/82/34/81/430823481.db2.gz YKXMOGJBAUNWEL-TXPKVOOTSA-N 2 1 302.462 2.944 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649336934 431069903 /nfs/dbraw/zinc/06/99/03/431069903.db2.gz PMKXOJKDTHYTMJ-UXHICEINSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649336934 431069908 /nfs/dbraw/zinc/06/99/08/431069908.db2.gz PMKXOJKDTHYTMJ-UXHICEINSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649336934 431069913 /nfs/dbraw/zinc/06/99/13/431069913.db2.gz PMKXOJKDTHYTMJ-UXHICEINSA-N 2 1 314.473 2.912 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)[nH+]1 ZINC000580393077 323377857 /nfs/dbraw/zinc/37/78/57/323377857.db2.gz QAZACZRDUYTGIB-INIZCTEOSA-N 2 1 307.401 2.591 20 30 DFEDMP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000185759965 333213592 /nfs/dbraw/zinc/21/35/92/333213592.db2.gz WMICFEHWTXWTBB-QFBILLFUSA-N 2 1 313.445 2.691 20 30 DFEDMP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000364026955 333222198 /nfs/dbraw/zinc/22/21/98/333222198.db2.gz BNRCENZLHPXWCO-HKUYNNGSSA-N 2 1 312.461 2.760 20 30 DFEDMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000187055974 333227195 /nfs/dbraw/zinc/22/71/95/333227195.db2.gz SNTPFYZXFNCRBT-KRWDZBQOSA-N 2 1 323.444 2.719 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000294944190 335129055 /nfs/dbraw/zinc/12/90/55/335129055.db2.gz IDVADZHWRFWFBF-MRXNPFEDSA-N 2 1 315.461 2.511 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000294944190 335129057 /nfs/dbraw/zinc/12/90/57/335129057.db2.gz IDVADZHWRFWFBF-MRXNPFEDSA-N 2 1 315.461 2.511 20 30 DFEDMP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949876 335129155 /nfs/dbraw/zinc/12/91/55/335129155.db2.gz INGLHPGLNRKPQS-AZUAARDMSA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949876 335129157 /nfs/dbraw/zinc/12/91/57/335129157.db2.gz INGLHPGLNRKPQS-AZUAARDMSA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949876 335129158 /nfs/dbraw/zinc/12/91/58/335129158.db2.gz INGLHPGLNRKPQS-AZUAARDMSA-N 3 1 313.489 2.584 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC(C)(C)C ZINC000263280024 333902452 /nfs/dbraw/zinc/90/24/52/333902452.db2.gz ZVIBVKZZGHHMIT-ZDUSSCGKSA-N 2 1 308.495 2.849 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272695305 334039181 /nfs/dbraw/zinc/03/91/81/334039181.db2.gz XQGRCVRHSXRXSL-HKUYNNGSSA-N 2 1 312.461 2.562 20 30 DFEDMP CN(CCC#N)c1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272695305 334039182 /nfs/dbraw/zinc/03/91/82/334039182.db2.gz XQGRCVRHSXRXSL-HKUYNNGSSA-N 2 1 312.461 2.562 20 30 DFEDMP N#CC1(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCOCC1 ZINC000366849914 335203276 /nfs/dbraw/zinc/20/32/76/335203276.db2.gz JNMMJTPZPWLYNI-GOSISDBHSA-N 2 1 319.493 2.895 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352422127 336217719 /nfs/dbraw/zinc/21/77/19/336217719.db2.gz HCTQNPUWESKTBR-AABGKKOBSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422127 336217720 /nfs/dbraw/zinc/21/77/20/336217720.db2.gz HCTQNPUWESKTBR-AABGKKOBSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352422127 336217721 /nfs/dbraw/zinc/21/77/21/336217721.db2.gz HCTQNPUWESKTBR-AABGKKOBSA-N 2 1 314.473 2.767 20 30 DFEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375763601 337019055 /nfs/dbraw/zinc/01/90/55/337019055.db2.gz NPVVSIYAEBMGOA-SJPCQFCGSA-N 2 1 305.466 2.644 20 30 DFEDMP C[NH+](CCCC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375763601 337019056 /nfs/dbraw/zinc/01/90/56/337019056.db2.gz NPVVSIYAEBMGOA-SJPCQFCGSA-N 2 1 305.466 2.644 20 30 DFEDMP C[NH+](CCCC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375763601 337019057 /nfs/dbraw/zinc/01/90/57/337019057.db2.gz NPVVSIYAEBMGOA-SJPCQFCGSA-N 2 1 305.466 2.644 20 30 DFEDMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C(C)C ZINC000378453912 337073263 /nfs/dbraw/zinc/07/32/63/337073263.db2.gz OOYGBDWDTZJUPF-TVFCKZIOSA-N 2 1 307.482 2.935 20 30 DFEDMP C=CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420904744 337513222 /nfs/dbraw/zinc/51/32/22/337513222.db2.gz CIFASLYGYILMHY-UHFFFAOYSA-N 2 1 300.446 2.917 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000572475882 338013853 /nfs/dbraw/zinc/01/38/53/338013853.db2.gz XZLUJCCLVRYRDF-UHFFFAOYSA-N 2 1 323.387 2.533 20 30 DFEDMP C=CCCC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435684299 338245168 /nfs/dbraw/zinc/24/51/68/338245168.db2.gz SEBKQZPJIBRXQP-INIZCTEOSA-N 2 1 302.466 2.813 20 30 DFEDMP C=CCc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1O ZINC000459730486 339044912 /nfs/dbraw/zinc/04/49/12/339044912.db2.gz KGLSAHYTEZWCHH-HNNXBMFYSA-N 2 1 318.461 2.951 20 30 DFEDMP C=CCC[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821504 185343972 /nfs/dbraw/zinc/34/39/72/185343972.db2.gz IZIJMNWRGSWZQE-LJQANCHMSA-N 2 1 317.477 2.947 20 30 DFEDMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000592376392 398418000 /nfs/dbraw/zinc/41/80/00/398418000.db2.gz IYEPSJAPZVCAFV-UXHICEINSA-N 2 1 305.425 2.993 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cc1 ZINC000597198242 398588257 /nfs/dbraw/zinc/58/82/57/398588257.db2.gz MFSJRMPUDCXAFR-AEFFLSMTSA-N 2 1 301.434 2.799 20 30 DFEDMP N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173879809 198264159 /nfs/dbraw/zinc/26/41/59/198264159.db2.gz INVOFKNZURNRAY-KRWDZBQOSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173879809 198264161 /nfs/dbraw/zinc/26/41/61/198264161.db2.gz INVOFKNZURNRAY-KRWDZBQOSA-N 2 1 313.445 2.745 20 30 DFEDMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1C#N ZINC000594735633 398852220 /nfs/dbraw/zinc/85/22/20/398852220.db2.gz LVUQOPNWJJWISD-SFHVURJKSA-N 2 1 313.445 2.778 20 30 DFEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC1(C#N)CCOCC1)C2 ZINC000595505580 398952134 /nfs/dbraw/zinc/95/21/34/398952134.db2.gz WKMVWMCTKBHXFV-GOSISDBHSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000595505580 398952138 /nfs/dbraw/zinc/95/21/38/398952138.db2.gz WKMVWMCTKBHXFV-GOSISDBHSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC1(C#N)CCOCC1)C2 ZINC000595505580 398952142 /nfs/dbraw/zinc/95/21/42/398952142.db2.gz WKMVWMCTKBHXFV-GOSISDBHSA-N 2 1 305.466 2.505 20 30 DFEDMP N#Cc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600721272 399123955 /nfs/dbraw/zinc/12/39/55/399123955.db2.gz KQKWDZRXVAVUFW-LSDHHAIUSA-N 2 1 311.351 2.560 20 30 DFEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)c1 ZINC000595889040 399124594 /nfs/dbraw/zinc/12/45/94/399124594.db2.gz RAQWSCHSAAJCIO-LNSITVRQSA-N 2 1 309.335 2.746 20 30 DFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)c1 ZINC000595889040 399124595 /nfs/dbraw/zinc/12/45/95/399124595.db2.gz RAQWSCHSAAJCIO-LNSITVRQSA-N 2 1 309.335 2.746 20 30 DFEDMP Cc1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000600106380 399135825 /nfs/dbraw/zinc/13/58/25/399135825.db2.gz YJZFDYABMWVRQZ-UHFFFAOYSA-N 2 1 323.444 2.606 20 30 DFEDMP Cc1nc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000600106380 399135828 /nfs/dbraw/zinc/13/58/28/399135828.db2.gz YJZFDYABMWVRQZ-UHFFFAOYSA-N 2 1 323.444 2.606 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614402319 399226338 /nfs/dbraw/zinc/22/63/38/399226338.db2.gz SNKMQXGBFLWAID-IBGZPJMESA-N 2 1 315.461 2.799 20 30 DFEDMP C=CC[C@@H](CO)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285430334 335026189 /nfs/dbraw/zinc/02/61/89/335026189.db2.gz YPBSOURYICRYFF-XBMUEBEBSA-N 2 1 302.462 2.956 20 30 DFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000609133441 399304652 /nfs/dbraw/zinc/30/46/52/399304652.db2.gz FPQBPQZILWACEO-UHFFFAOYSA-N 2 1 315.461 2.989 20 30 DFEDMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)[nH+]1 ZINC000610993538 399425694 /nfs/dbraw/zinc/42/56/94/399425694.db2.gz WUKJGVXDFPGHGF-MRXNPFEDSA-N 2 1 307.401 2.591 20 30 DFEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)c1 ZINC000602459191 399450269 /nfs/dbraw/zinc/45/02/69/399450269.db2.gz QRDIMWOEJGJVBF-OAHLLOKOSA-N 2 1 307.401 2.591 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602439805 399444725 /nfs/dbraw/zinc/44/47/25/399444725.db2.gz LAUCDGFSCYUHGD-UHFFFAOYSA-N 2 1 300.450 2.897 20 30 DFEDMP Cc1cc(N2CCC[C@@H]([NH2+]C3CCC(C#N)CC3)C2)nc(C)[nH+]1 ZINC000602542728 399471455 /nfs/dbraw/zinc/47/14/55/399471455.db2.gz WKWMFVPMWJRUBO-OFLPRAFFSA-N 2 1 313.449 2.734 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544001 399471529 /nfs/dbraw/zinc/47/15/29/399471529.db2.gz GRKVKEFCCCTQEI-DLBZAZTESA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602588745 399484595 /nfs/dbraw/zinc/48/45/95/399484595.db2.gz PTINTOIHXOMAIO-SJLPKXTDSA-N 2 1 320.440 2.953 20 30 DFEDMP C[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602588745 399484597 /nfs/dbraw/zinc/48/45/97/399484597.db2.gz PTINTOIHXOMAIO-SJLPKXTDSA-N 2 1 320.440 2.953 20 30 DFEDMP C[C@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602588743 399484336 /nfs/dbraw/zinc/48/43/36/399484336.db2.gz PTINTOIHXOMAIO-FUHWJXTLSA-N 2 1 320.440 2.953 20 30 DFEDMP C[C@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602588743 399484339 /nfs/dbraw/zinc/48/43/39/399484339.db2.gz PTINTOIHXOMAIO-FUHWJXTLSA-N 2 1 320.440 2.953 20 30 DFEDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271989259 209363985 /nfs/dbraw/zinc/36/39/85/209363985.db2.gz YSVPXVHFBYBZPZ-AWEZNQCLSA-N 2 1 319.424 2.849 20 30 DFEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1Cl ZINC000629386933 399590014 /nfs/dbraw/zinc/59/00/14/399590014.db2.gz AIFVVCFOGLLYGC-UHFFFAOYSA-N 2 1 310.825 2.502 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000156630817 197128781 /nfs/dbraw/zinc/12/87/81/197128781.db2.gz OIZBOGUTQYNHRR-GOSISDBHSA-N 2 1 315.461 2.991 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156630817 197128782 /nfs/dbraw/zinc/12/87/82/197128782.db2.gz OIZBOGUTQYNHRR-GOSISDBHSA-N 2 1 315.461 2.991 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156630817 197128783 /nfs/dbraw/zinc/12/87/83/197128783.db2.gz OIZBOGUTQYNHRR-GOSISDBHSA-N 2 1 315.461 2.991 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156585240 197125696 /nfs/dbraw/zinc/12/56/96/197125696.db2.gz QQHGEXLPIGKSFC-GOSISDBHSA-N 2 1 315.461 2.991 20 30 DFEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1F ZINC000602849965 399601464 /nfs/dbraw/zinc/60/14/64/399601464.db2.gz SFMDCVWQIDYIOW-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897757 399618506 /nfs/dbraw/zinc/61/85/06/399618506.db2.gz ZBJPWPYUCWQKTK-SFHVURJKSA-N 2 1 312.461 2.919 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000289951902 335067142 /nfs/dbraw/zinc/06/71/42/335067142.db2.gz AWEQPSJSAYXKBS-FXAWDEMLSA-N 2 1 314.473 2.895 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000289951919 335067236 /nfs/dbraw/zinc/06/72/36/335067236.db2.gz AWEQPSJSAYXKBS-XLIONFOSSA-N 2 1 314.473 2.895 20 30 DFEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246034309 146116345 /nfs/dbraw/zinc/11/63/45/146116345.db2.gz ODICQUWUNIEKPI-RTBURBONSA-N 2 1 313.445 2.542 20 30 DFEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246034309 146116348 /nfs/dbraw/zinc/11/63/48/146116348.db2.gz ODICQUWUNIEKPI-RTBURBONSA-N 2 1 313.445 2.542 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000361518446 149136728 /nfs/dbraw/zinc/13/67/28/149136728.db2.gz JOQUPWZFYDHRAH-HNNXBMFYSA-N 2 1 322.412 2.845 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000106245397 425971454 /nfs/dbraw/zinc/97/14/54/425971454.db2.gz IKPYSOPTZGRUDE-UHFFFAOYSA-N 2 1 304.434 2.921 20 30 DFEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246014460 426791121 /nfs/dbraw/zinc/79/11/21/426791121.db2.gz LOSDNZPEFFOFOC-DLBZAZTESA-N 2 1 321.509 2.654 20 30 DFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000247016633 426891589 /nfs/dbraw/zinc/89/15/89/426891589.db2.gz LPVSHYVDRQOUQG-ZBFHGGJFSA-N 2 1 320.506 2.932 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000329313229 427087055 /nfs/dbraw/zinc/08/70/55/427087055.db2.gz CFOBNTAACSXSAH-CABCVRRESA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000329313229 427087059 /nfs/dbraw/zinc/08/70/59/427087059.db2.gz CFOBNTAACSXSAH-CABCVRRESA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000329313229 427087063 /nfs/dbraw/zinc/08/70/63/427087063.db2.gz CFOBNTAACSXSAH-CABCVRRESA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000329313229 427087069 /nfs/dbraw/zinc/08/70/69/427087069.db2.gz CFOBNTAACSXSAH-CABCVRRESA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000329313229 427087075 /nfs/dbraw/zinc/08/70/75/427087075.db2.gz CFOBNTAACSXSAH-CABCVRRESA-N 2 1 319.453 2.681 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000285690179 427311675 /nfs/dbraw/zinc/31/16/75/427311675.db2.gz OJQNDYKADIIJKZ-UXHICEINSA-N 2 1 324.472 2.743 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000285690179 427311680 /nfs/dbraw/zinc/31/16/80/427311680.db2.gz OJQNDYKADIIJKZ-UXHICEINSA-N 2 1 324.472 2.743 20 30 DFEDMP C#CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000271059607 427391185 /nfs/dbraw/zinc/39/11/85/427391185.db2.gz SEFPKLFJVCMWJQ-FQEVSTJZSA-N 2 1 314.473 2.777 20 30 DFEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262453950 427358043 /nfs/dbraw/zinc/35/80/43/427358043.db2.gz WMIPJJUJIGBSFQ-OAHLLOKOSA-N 2 1 314.477 2.880 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264067197 427650241 /nfs/dbraw/zinc/65/02/41/427650241.db2.gz BSNZAQLFZFKZGA-AWEZNQCLSA-N 2 1 308.495 2.665 20 30 DFEDMP CCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264081532 427653395 /nfs/dbraw/zinc/65/33/95/427653395.db2.gz HNSRWLXRQUSYHQ-UHFFFAOYSA-N 2 1 303.385 2.524 20 30 DFEDMP CCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000264087969 427655938 /nfs/dbraw/zinc/65/59/38/427655938.db2.gz KBKYNGMNPKRTFO-UHFFFAOYSA-N 2 1 302.466 2.875 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264125652 427663910 /nfs/dbraw/zinc/66/39/10/427663910.db2.gz SEXRMZKVCZIQIY-GOEBONIOSA-N 2 1 318.465 2.535 20 30 DFEDMP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000350454822 427938399 /nfs/dbraw/zinc/93/83/99/427938399.db2.gz FYVSJSRKXRVINZ-SJLPKXTDSA-N 2 1 312.461 2.610 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000341890224 428243047 /nfs/dbraw/zinc/24/30/47/428243047.db2.gz SZVTZCUHEAJHGM-YTQUADARSA-N 2 1 302.462 2.671 20 30 DFEDMP C=CCOCCC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000348112431 428638770 /nfs/dbraw/zinc/63/87/70/428638770.db2.gz FSZWNDLXOUHPIM-INIZCTEOSA-N 2 1 303.450 2.910 20 30 DFEDMP C=CCOCCC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000348112431 428638774 /nfs/dbraw/zinc/63/87/74/428638774.db2.gz FSZWNDLXOUHPIM-INIZCTEOSA-N 2 1 303.450 2.910 20 30 DFEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCCSCC#N)CC2)C1CC1 ZINC000374296257 428672174 /nfs/dbraw/zinc/67/21/74/428672174.db2.gz OQMKRVRJMDNBCQ-HNNXBMFYSA-N 2 1 307.507 2.830 20 30 DFEDMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000353749325 428690879 /nfs/dbraw/zinc/69/08/79/428690879.db2.gz FNKZLNHBJHTCFD-GOEBONIOSA-N 2 1 311.433 2.511 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616833 428955952 /nfs/dbraw/zinc/95/59/52/428955952.db2.gz SRXGMVKFBMAYCZ-IEBWSBKVSA-N 2 1 312.461 2.753 20 30 DFEDMP C[C@@H]([NH2+]CCSCc1ccccc1C#N)[C@H]1CCCC[NH2+]1 ZINC000422997241 429053818 /nfs/dbraw/zinc/05/38/18/429053818.db2.gz USBDAOFCVZFCGV-RHSMWYFYSA-N 2 1 303.475 2.912 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453348705 429148750 /nfs/dbraw/zinc/14/87/50/429148750.db2.gz IAJJYHNJGRWMCJ-UTBUEMAESA-N 2 1 312.457 2.830 20 30 DFEDMP COC1CC[NH+](C2(C[NH2+][C@H]3CC[C@H](C#N)C3)CCCC2)CC1 ZINC000442787380 429235260 /nfs/dbraw/zinc/23/52/60/429235260.db2.gz DCBGIUSRZMRHJI-HOTGVXAUSA-N 2 1 305.466 2.692 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(OC)c1O ZINC000442918066 429241350 /nfs/dbraw/zinc/24/13/50/429241350.db2.gz BVBKNPRTRIDLRM-AWEZNQCLSA-N 2 1 304.434 2.690 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000491119270 429326728 /nfs/dbraw/zinc/32/67/28/429326728.db2.gz HWZYZEBVCHNIQA-PKOBYXMFSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000491119270 429326733 /nfs/dbraw/zinc/32/67/33/429326733.db2.gz HWZYZEBVCHNIQA-PKOBYXMFSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000365551630 429340600 /nfs/dbraw/zinc/34/06/00/429340600.db2.gz IEFCQDMJYDGLNU-KRWDZBQOSA-N 2 1 309.413 2.637 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449517057 429440956 /nfs/dbraw/zinc/44/09/56/429440956.db2.gz DNWKYJYJUXXLTK-OWYHZJEWSA-N 2 1 300.446 2.830 20 30 DFEDMP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449695706 429483782 /nfs/dbraw/zinc/48/37/82/429483782.db2.gz FWXSDJYCNWKZLJ-IBGZPJMESA-N 2 1 320.452 2.749 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779949 429915298 /nfs/dbraw/zinc/91/52/98/429915298.db2.gz ZLOUDFQJNIWIRY-UHFFFAOYSA-N 2 1 324.428 2.749 20 30 DFEDMP C=CCc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1O ZINC000576314471 430104345 /nfs/dbraw/zinc/10/43/45/430104345.db2.gz UXZNGTVIYYLTHM-PBHICJAKSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(OC)c1O ZINC000576314471 430104347 /nfs/dbraw/zinc/10/43/47/430104347.db2.gz UXZNGTVIYYLTHM-PBHICJAKSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1O ZINC000576314471 430104350 /nfs/dbraw/zinc/10/43/50/430104350.db2.gz UXZNGTVIYYLTHM-PBHICJAKSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(OC)c1O ZINC000576314471 430104352 /nfs/dbraw/zinc/10/43/52/430104352.db2.gz UXZNGTVIYYLTHM-PBHICJAKSA-N 2 1 318.461 2.901 20 30 DFEDMP C=CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634645835 430065580 /nfs/dbraw/zinc/06/55/80/430065580.db2.gz UBOUGVLDIUHVDD-LJQANCHMSA-N 2 1 300.446 2.521 20 30 DFEDMP C=CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634645835 430065581 /nfs/dbraw/zinc/06/55/81/430065581.db2.gz UBOUGVLDIUHVDD-LJQANCHMSA-N 2 1 300.446 2.521 20 30 DFEDMP C=CCOc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638616052 430390154 /nfs/dbraw/zinc/39/01/54/430390154.db2.gz HTHTUAYDUAUAQQ-UHFFFAOYSA-N 2 1 318.461 2.576 20 30 DFEDMP CN(Cc1ccc(C#N)cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584208892 430469802 /nfs/dbraw/zinc/46/98/02/430469802.db2.gz NNFRGPBZAGMKPO-LJQANCHMSA-N 2 1 320.440 2.907 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000555879155 430674956 /nfs/dbraw/zinc/67/49/56/430674956.db2.gz VPKFVKZXXUYRAY-HOTGVXAUSA-N 2 1 313.445 2.804 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000555879155 430674957 /nfs/dbraw/zinc/67/49/57/430674957.db2.gz VPKFVKZXXUYRAY-HOTGVXAUSA-N 2 1 313.445 2.804 20 30 DFEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657875209 430759914 /nfs/dbraw/zinc/75/99/14/430759914.db2.gz BMQGFUHMOOTVDJ-SJLPKXTDSA-N 2 1 321.509 2.654 20 30 DFEDMP C=CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)COC ZINC000661241180 431790235 /nfs/dbraw/zinc/79/02/35/431790235.db2.gz XRFZOMODAQGDJI-QGZVFWFLSA-N 2 1 318.461 2.542 20 30 DFEDMP C=CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)COC ZINC000661241180 431790241 /nfs/dbraw/zinc/79/02/41/431790241.db2.gz XRFZOMODAQGDJI-QGZVFWFLSA-N 2 1 318.461 2.542 20 30 DFEDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000565152824 302198084 /nfs/dbraw/zinc/19/80/84/302198084.db2.gz QWRJOIYYEWMMRA-OALUTQOASA-N 2 1 315.461 2.836 20 30 DFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1ccccc1 ZINC000170906538 333042330 /nfs/dbraw/zinc/04/23/30/333042330.db2.gz XOOZXJXZVNXAPS-INIZCTEOSA-N 2 1 311.433 2.891 20 30 DFEDMP CN(C[C@H](C#N)CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400351 333085920 /nfs/dbraw/zinc/08/59/20/333085920.db2.gz DBWMMEVVYXPWSM-RBUKOAKNSA-N 2 1 310.445 2.884 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668979 333325955 /nfs/dbraw/zinc/32/59/55/333325955.db2.gz CRNMHCLPTNYLBK-NVXWUHKLSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364668979 333325956 /nfs/dbraw/zinc/32/59/56/333325956.db2.gz CRNMHCLPTNYLBK-NVXWUHKLSA-N 2 1 324.428 2.868 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000295106781 335132044 /nfs/dbraw/zinc/13/20/44/335132044.db2.gz WVOQJPQQALRPPH-KRWDZBQOSA-N 2 1 318.461 2.570 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000295106781 335132045 /nfs/dbraw/zinc/13/20/45/335132045.db2.gz WVOQJPQQALRPPH-KRWDZBQOSA-N 2 1 318.461 2.570 20 30 DFEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267142475 333980161 /nfs/dbraw/zinc/98/01/61/333980161.db2.gz FYJSSGNBWLOVSO-QGZVFWFLSA-N 2 1 320.506 2.974 20 30 DFEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N(C)C2CC2)C1 ZINC000273312843 334045195 /nfs/dbraw/zinc/04/51/95/334045195.db2.gz CJMWNZYEGCJNJF-OAHLLOKOSA-N 2 1 314.477 2.827 20 30 DFEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277231726 334087355 /nfs/dbraw/zinc/08/73/55/334087355.db2.gz GSTSPQVKVIXRAD-MRXNPFEDSA-N 2 1 318.465 2.531 20 30 DFEDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343508675 335172814 /nfs/dbraw/zinc/17/28/14/335172814.db2.gz JDIWNCYIUDAVQN-UHFFFAOYSA-N 2 1 308.429 2.941 20 30 DFEDMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCC#N)cc1 ZINC000278955864 334104143 /nfs/dbraw/zinc/10/41/43/334104143.db2.gz LULNVBYEDMTZNQ-CABCVRRESA-N 2 1 310.401 2.699 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000340286234 334161103 /nfs/dbraw/zinc/16/11/03/334161103.db2.gz PEIQVSNYJAEJKF-QZTJIDSGSA-N 2 1 307.482 2.749 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415118139 334283938 /nfs/dbraw/zinc/28/39/38/334283938.db2.gz DRRXMKWPPYDKJU-HOCLYGCPSA-N 2 1 304.434 2.677 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328698037 334749610 /nfs/dbraw/zinc/74/96/10/334749610.db2.gz LNFRAKJCUZUHIX-CYBMUJFWSA-N 2 1 304.438 2.659 20 30 DFEDMP C[C@@H](CCC#N)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351272628 336025197 /nfs/dbraw/zinc/02/51/97/336025197.db2.gz VKXWCSNJJSNQJP-YESZJQIVSA-N 2 1 307.482 2.890 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352387941 336215749 /nfs/dbraw/zinc/21/57/49/336215749.db2.gz HGNMVSFWYHXJRL-UHFFFAOYSA-N 2 1 310.445 2.827 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000354511305 336473318 /nfs/dbraw/zinc/47/33/18/336473318.db2.gz ZCUCMRQBJVCUAO-UHFFFAOYSA-N 2 1 317.477 2.747 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2)nc(C)[nH+]1 ZINC000376460873 337033885 /nfs/dbraw/zinc/03/38/85/337033885.db2.gz BBOOGLCYEMFDTA-ZACQAIPSSA-N 2 1 313.449 2.734 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000378454274 337073232 /nfs/dbraw/zinc/07/32/32/337073232.db2.gz KGCVRPGESQQOKD-XNJHUCFUSA-N 2 1 316.449 2.657 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132320282 341120578 /nfs/dbraw/zinc/12/05/78/341120578.db2.gz WMEABUXDUYBSGA-MRXNPFEDSA-N 2 1 323.481 2.626 20 30 DFEDMP N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157382276 526727899 /nfs/dbraw/zinc/72/78/99/526727899.db2.gz AKSAYNVXYVGKRR-GOSISDBHSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157382276 526727905 /nfs/dbraw/zinc/72/79/05/526727905.db2.gz AKSAYNVXYVGKRR-GOSISDBHSA-N 2 1 313.445 2.887 20 30 DFEDMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(C#N)cc1 ZINC000278347264 214105339 /nfs/dbraw/zinc/10/53/39/214105339.db2.gz YLUFATPCNRMAPR-SFHVURJKSA-N 2 1 301.434 2.710 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337180511 398575612 /nfs/dbraw/zinc/57/56/12/398575612.db2.gz MCEPMNNZAKWLED-SJORKVTESA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337180511 398575615 /nfs/dbraw/zinc/57/56/15/398575615.db2.gz MCEPMNNZAKWLED-SJORKVTESA-N 2 1 307.482 2.892 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337180511 398575619 /nfs/dbraw/zinc/57/56/19/398575619.db2.gz MCEPMNNZAKWLED-SJORKVTESA-N 2 1 307.482 2.892 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000597175082 398582406 /nfs/dbraw/zinc/58/24/06/398582406.db2.gz VTJSYQSXBBKARJ-INIZCTEOSA-N 2 1 301.434 2.753 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC000593957500 398707763 /nfs/dbraw/zinc/70/77/63/398707763.db2.gz BJGOCZLKWSHYGS-INIZCTEOSA-N 2 1 307.401 2.591 20 30 DFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081572194 192294786 /nfs/dbraw/zinc/29/47/86/192294786.db2.gz JKCZAWHKMUEIJH-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081572194 192294790 /nfs/dbraw/zinc/29/47/90/192294790.db2.gz JKCZAWHKMUEIJH-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000081572194 192294793 /nfs/dbraw/zinc/29/47/93/192294793.db2.gz JKCZAWHKMUEIJH-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000081572194 192294794 /nfs/dbraw/zinc/29/47/94/192294794.db2.gz JKCZAWHKMUEIJH-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1C#N ZINC000237320899 202229175 /nfs/dbraw/zinc/22/91/75/202229175.db2.gz DSBBEXLWWLXRBV-UHFFFAOYSA-N 2 1 301.434 2.919 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595336420 398923662 /nfs/dbraw/zinc/92/36/62/398923662.db2.gz GBDKZXKMWNNZHD-LJQANCHMSA-N 2 1 315.461 2.533 20 30 DFEDMP CC(C[NH+]1CCC[C@H](CC#N)C1)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619555 399004837 /nfs/dbraw/zinc/00/48/37/399004837.db2.gz DEAZYABQVKPGKI-QZTJIDSGSA-N 2 1 302.466 2.874 20 30 DFEDMP CC(C[NH+]1CCC[C@H](CC#N)C1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619555 399004840 /nfs/dbraw/zinc/00/48/40/399004840.db2.gz DEAZYABQVKPGKI-QZTJIDSGSA-N 2 1 302.466 2.874 20 30 DFEDMP C[N@H+]1CCCC[C@H]1CCN1CCN(c2ccsc2C#N)CC1 ZINC000595632968 399011592 /nfs/dbraw/zinc/01/15/92/399011592.db2.gz RMMPBLOSXHGUQW-HNNXBMFYSA-N 2 1 318.490 2.616 20 30 DFEDMP CC[NH+](CC)CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769337 399078311 /nfs/dbraw/zinc/07/83/11/399078311.db2.gz PNUZSNLGVAXPKT-UHFFFAOYSA-N 2 1 315.461 2.885 20 30 DFEDMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000618567992 399161624 /nfs/dbraw/zinc/16/16/24/399161624.db2.gz FXPVIRAGXLYLFK-OALUTQOASA-N 2 1 315.461 2.692 20 30 DFEDMP C=C(C)COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000623086527 399323765 /nfs/dbraw/zinc/32/37/65/399323765.db2.gz XQAWVSFJIRFECU-UHFFFAOYSA-N 2 1 315.417 2.716 20 30 DFEDMP C[C@H](C#N)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000611276107 399456543 /nfs/dbraw/zinc/45/65/43/399456543.db2.gz LXOTVXIWCDFIJZ-OAHLLOKOSA-N 2 1 301.434 2.751 20 30 DFEDMP C[C@H](C#N)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000611276107 399456546 /nfs/dbraw/zinc/45/65/46/399456546.db2.gz LXOTVXIWCDFIJZ-OAHLLOKOSA-N 2 1 301.434 2.751 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000602502193 399461707 /nfs/dbraw/zinc/46/17/07/399461707.db2.gz JFZLCFWXJGXONA-SJORKVTESA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438562 399476798 /nfs/dbraw/zinc/47/67/98/399476798.db2.gz AIDJJTWBCNVSAU-DNVCBOLYSA-N 2 1 313.445 2.852 20 30 DFEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000270185432 208249019 /nfs/dbraw/zinc/24/90/19/208249019.db2.gz CAWGBUREKRLLOO-INIZCTEOSA-N 2 1 301.409 2.861 20 30 DFEDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726794 399542644 /nfs/dbraw/zinc/54/26/44/399542644.db2.gz BLQUXWQILHQNCK-WMZOPIPTSA-N 2 1 320.440 2.811 20 30 DFEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726794 399542648 /nfs/dbraw/zinc/54/26/48/399542648.db2.gz BLQUXWQILHQNCK-WMZOPIPTSA-N 2 1 320.440 2.811 20 30 DFEDMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000602951637 399637363 /nfs/dbraw/zinc/63/73/63/399637363.db2.gz WVOQLOBHLFOKQE-INIZCTEOSA-N 2 1 307.482 2.628 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000331952642 533653520 /nfs/dbraw/zinc/65/35/20/533653520.db2.gz RDMKIXYHHIUUJW-KDOFPFPSSA-N 2 1 323.444 2.531 20 30 DFEDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000603432604 399775414 /nfs/dbraw/zinc/77/54/14/399775414.db2.gz NHBALOPXCGPAMQ-SFHVURJKSA-N 2 1 317.477 2.670 20 30 DFEDMP N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000514870974 268225364 /nfs/dbraw/zinc/22/53/64/268225364.db2.gz OTGIBUQCZMWRJV-KDURUIRLSA-N 2 1 318.424 2.517 20 30 DFEDMP Cc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000274320829 426742088 /nfs/dbraw/zinc/74/20/88/426742088.db2.gz CUKBGYOIKGSTJP-UHFFFAOYSA-N 2 1 306.413 2.974 20 30 DFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246465796 426836239 /nfs/dbraw/zinc/83/62/39/426836239.db2.gz WWDSQCGAPPNMQB-JKSUJKDBSA-N 2 1 315.461 2.644 20 30 DFEDMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2cncc2C1 ZINC000328913777 427013532 /nfs/dbraw/zinc/01/35/32/427013532.db2.gz IKXJMWUZQRWQKO-DLBZAZTESA-N 2 1 324.428 2.677 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000329313248 427088204 /nfs/dbraw/zinc/08/82/04/427088204.db2.gz CFOBNTAACSXSAH-LSDHHAIUSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000329313248 427088210 /nfs/dbraw/zinc/08/82/10/427088210.db2.gz CFOBNTAACSXSAH-LSDHHAIUSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000329313248 427088215 /nfs/dbraw/zinc/08/82/15/427088215.db2.gz CFOBNTAACSXSAH-LSDHHAIUSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000329313248 427088220 /nfs/dbraw/zinc/08/82/20/427088220.db2.gz CFOBNTAACSXSAH-LSDHHAIUSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000329313248 427088227 /nfs/dbraw/zinc/08/82/27/427088227.db2.gz CFOBNTAACSXSAH-LSDHHAIUSA-N 2 1 319.453 2.681 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C2 ZINC000329552627 427141235 /nfs/dbraw/zinc/14/12/35/427141235.db2.gz GFDHMKAPOMRFBT-GOEBONIOSA-N 2 1 316.449 2.727 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)C2 ZINC000329552627 427141240 /nfs/dbraw/zinc/14/12/40/427141240.db2.gz GFDHMKAPOMRFBT-GOEBONIOSA-N 2 1 316.449 2.727 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)C2 ZINC000329509262 427130634 /nfs/dbraw/zinc/13/06/34/427130634.db2.gz JPRFNAGGZRERRM-HIFRSBDPSA-N 2 1 304.438 2.585 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)C2 ZINC000329509262 427130637 /nfs/dbraw/zinc/13/06/37/427130637.db2.gz JPRFNAGGZRERRM-HIFRSBDPSA-N 2 1 304.438 2.585 20 30 DFEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000269470443 427205480 /nfs/dbraw/zinc/20/54/80/427205480.db2.gz ZVNWGDUQEDXJJU-GASCZTMLSA-N 2 1 319.424 2.676 20 30 DFEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191281836 427309382 /nfs/dbraw/zinc/30/93/82/427309382.db2.gz XIRFKLHGLKIRJS-DLBZAZTESA-N 2 1 314.477 2.983 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000285690180 427310231 /nfs/dbraw/zinc/31/02/31/427310231.db2.gz OJQNDYKADIIJKZ-VQTJNVASSA-N 2 1 324.472 2.743 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000285690180 427310239 /nfs/dbraw/zinc/31/02/39/427310239.db2.gz OJQNDYKADIIJKZ-VQTJNVASSA-N 2 1 324.472 2.743 20 30 DFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1cccs1 ZINC000262513792 427361825 /nfs/dbraw/zinc/36/18/25/427361825.db2.gz FIRHPWKVODDJIN-JSGCOSHPSA-N 2 1 308.495 2.834 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271304055 427486545 /nfs/dbraw/zinc/48/65/45/427486545.db2.gz POBQOKMYIUDFDF-QGZVFWFLSA-N 2 1 313.445 2.886 20 30 DFEDMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000264075161 427651561 /nfs/dbraw/zinc/65/15/61/427651561.db2.gz HCIOMJZZKWTXOH-IYBDPMFKSA-N 2 1 318.465 2.529 20 30 DFEDMP CCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264103963 427659425 /nfs/dbraw/zinc/65/94/25/427659425.db2.gz NFWFFDJRGSJVDY-KRWDZBQOSA-N 2 1 318.465 2.537 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264114750 427660978 /nfs/dbraw/zinc/66/09/78/427660978.db2.gz SBEWWCKSOPRCFH-KGLIPLIRSA-N 2 1 308.495 2.663 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337170006 427808625 /nfs/dbraw/zinc/80/86/25/427808625.db2.gz DVOVVRYRVNTLOC-QGZVFWFLSA-N 2 1 307.482 2.751 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170006 427808626 /nfs/dbraw/zinc/80/86/26/427808626.db2.gz DVOVVRYRVNTLOC-QGZVFWFLSA-N 2 1 307.482 2.751 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170006 427808627 /nfs/dbraw/zinc/80/86/27/427808627.db2.gz DVOVVRYRVNTLOC-QGZVFWFLSA-N 2 1 307.482 2.751 20 30 DFEDMP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341873340 428236438 /nfs/dbraw/zinc/23/64/38/428236438.db2.gz IONUXOFRGHKKCB-QGZVFWFLSA-N 2 1 320.452 2.607 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000341890223 428243279 /nfs/dbraw/zinc/24/32/79/428243279.db2.gz SZVTZCUHEAJHGM-WDSOQIARSA-N 2 1 302.462 2.671 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000373037949 428515767 /nfs/dbraw/zinc/51/57/67/428515767.db2.gz RRQMUVAXJVZESB-RDJZCZTQSA-N 2 1 301.434 2.894 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000373037949 428515773 /nfs/dbraw/zinc/51/57/73/428515773.db2.gz RRQMUVAXJVZESB-RDJZCZTQSA-N 2 1 301.434 2.894 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000373184644 428520044 /nfs/dbraw/zinc/52/00/44/428520044.db2.gz FODYWFYFWNWUMR-TVFCKZIOSA-N 2 1 316.449 2.801 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348133834 428638177 /nfs/dbraw/zinc/63/81/77/428638177.db2.gz CSJFWKIIJAMVFY-YTQUADARSA-N 2 1 302.462 2.671 20 30 DFEDMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000353749327 428692050 /nfs/dbraw/zinc/69/20/50/428692050.db2.gz FNKZLNHBJHTCFD-ZBFHGGJFSA-N 2 1 311.433 2.511 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C#N)c2)C[C@H]1C ZINC000354223591 428925798 /nfs/dbraw/zinc/92/57/98/428925798.db2.gz LSCBMDNQBXSRRP-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C#N)c2)C[C@H]1C ZINC000354223591 428925803 /nfs/dbraw/zinc/92/58/03/428925803.db2.gz LSCBMDNQBXSRRP-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP N#Cc1c(F)ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1Cl ZINC000365499459 429329280 /nfs/dbraw/zinc/32/92/80/429329280.db2.gz ZSGNIGOMKUBGOV-LLVKDONJSA-N 2 1 318.783 2.899 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447588705 429304865 /nfs/dbraw/zinc/30/48/65/429304865.db2.gz VZOJMHZVUVTKCL-HAGHYFMRSA-N 2 1 314.473 2.956 20 30 DFEDMP N#Cc1cccc(C2([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)CC2)c1 ZINC000425897804 429351301 /nfs/dbraw/zinc/35/13/01/429351301.db2.gz WGAZNDOLHPHBEZ-UHFFFAOYSA-N 2 1 322.412 2.792 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521203 429442445 /nfs/dbraw/zinc/44/24/45/429442445.db2.gz RCZOOMPTGCDGJX-AITUJVMLSA-N 2 1 300.446 2.973 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521203 429442450 /nfs/dbraw/zinc/44/24/50/429442450.db2.gz RCZOOMPTGCDGJX-AITUJVMLSA-N 2 1 300.446 2.973 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042712 429563095 /nfs/dbraw/zinc/56/30/95/429563095.db2.gz JNUGJXDAXIQBFP-OOYAMKTBSA-N 2 1 319.493 2.795 20 30 DFEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000528375081 429882055 /nfs/dbraw/zinc/88/20/55/429882055.db2.gz ZAYHTFJQPAWUGE-QZTJIDSGSA-N 2 1 319.493 2.629 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000369344068 429926125 /nfs/dbraw/zinc/92/61/25/429926125.db2.gz PETZALZWNAWRGJ-MNEFBYGVSA-N 2 1 313.445 2.537 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000369343477 429926321 /nfs/dbraw/zinc/92/63/21/429926321.db2.gz NOROFNKFSNJGNM-AYOQOUSVSA-N 2 1 313.445 2.537 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063869 430109967 /nfs/dbraw/zinc/10/99/67/430109967.db2.gz MVIXWUYJDXFLOK-QZTJIDSGSA-N 2 1 300.446 2.710 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063869 430109970 /nfs/dbraw/zinc/10/99/70/430109970.db2.gz MVIXWUYJDXFLOK-QZTJIDSGSA-N 2 1 300.446 2.710 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000644549057 430750016 /nfs/dbraw/zinc/75/00/16/430750016.db2.gz JDZDKNBRWKYLGI-UHFFFAOYSA-N 2 1 319.424 2.703 20 30 DFEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657875208 430759693 /nfs/dbraw/zinc/75/96/93/430759693.db2.gz BMQGFUHMOOTVDJ-FUHWJXTLSA-N 2 1 321.509 2.654 20 30 DFEDMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(C#N)cc1 ZINC000566104023 302259860 /nfs/dbraw/zinc/25/98/60/302259860.db2.gz WYSQGGUXIXNFHU-ZDUSSCGKSA-N 2 1 310.401 2.864 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089121 332133882 /nfs/dbraw/zinc/13/38/82/332133882.db2.gz DIRWYRXBNMLDQH-UHFFFAOYSA-N 2 1 314.477 2.810 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000104178917 332244436 /nfs/dbraw/zinc/24/44/36/332244436.db2.gz MAXRYCOFKKOIBR-CQSZACIVSA-N 2 1 318.465 2.932 20 30 DFEDMP C=CCOCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000293742824 335113099 /nfs/dbraw/zinc/11/30/99/335113099.db2.gz HVPSHXYEJQXIEY-UHFFFAOYSA-N 2 1 303.450 2.823 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294262099 335120461 /nfs/dbraw/zinc/12/04/61/335120461.db2.gz RAEDKFSTNNKQKW-UHFFFAOYSA-N 3 1 314.477 2.681 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000491453524 333097827 /nfs/dbraw/zinc/09/78/27/333097827.db2.gz SBQRBJPDQNJOIA-OAHLLOKOSA-N 2 1 315.244 2.572 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000491453524 333097828 /nfs/dbraw/zinc/09/78/28/333097828.db2.gz SBQRBJPDQNJOIA-OAHLLOKOSA-N 2 1 315.244 2.572 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343545644 335171062 /nfs/dbraw/zinc/17/10/62/335171062.db2.gz YYZHZYDHYSMBIB-LJQANCHMSA-N 2 1 315.461 2.685 20 30 DFEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N(C)C2CC2)C1 ZINC000273312836 334045217 /nfs/dbraw/zinc/04/52/17/334045217.db2.gz CJMWNZYEGCJNJF-HNNXBMFYSA-N 2 1 314.477 2.827 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277319174 334087770 /nfs/dbraw/zinc/08/77/70/334087770.db2.gz BZVAZJCFRZQFLI-SFHVURJKSA-N 2 1 314.477 2.953 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000340286235 334161099 /nfs/dbraw/zinc/16/10/99/334161099.db2.gz PEIQVSNYJAEJKF-ROUUACIJSA-N 2 1 307.482 2.749 20 30 DFEDMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](C)C1 ZINC000288628556 334161440 /nfs/dbraw/zinc/16/14/40/334161440.db2.gz AQNMQRFLWOPJCD-NWDGAFQWSA-N 2 1 310.392 2.812 20 30 DFEDMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000288628552 334161449 /nfs/dbraw/zinc/16/14/49/334161449.db2.gz AQNMQRFLWOPJCD-NEPJUHHUSA-N 2 1 310.392 2.812 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415118134 334283804 /nfs/dbraw/zinc/28/38/04/334283804.db2.gz DRRXMKWPPYDKJU-GDBMZVCRSA-N 2 1 304.434 2.677 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000344624492 335265032 /nfs/dbraw/zinc/26/50/32/335265032.db2.gz IXPZMYNDYAUADZ-NVXWUHKLSA-N 2 1 301.434 2.941 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352422130 336217650 /nfs/dbraw/zinc/21/76/50/336217650.db2.gz HCTQNPUWESKTBR-ZCNNSNEGSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352422130 336217651 /nfs/dbraw/zinc/21/76/51/336217651.db2.gz HCTQNPUWESKTBR-ZCNNSNEGSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352422130 336217652 /nfs/dbraw/zinc/21/76/52/336217652.db2.gz HCTQNPUWESKTBR-ZCNNSNEGSA-N 2 1 314.473 2.767 20 30 DFEDMP C=C(C)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352711765 336231815 /nfs/dbraw/zinc/23/18/15/336231815.db2.gz ADMKRIVEEXYAGK-UHFFFAOYSA-N 2 1 301.478 2.702 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000376160808 337028589 /nfs/dbraw/zinc/02/85/89/337028589.db2.gz FADRFWBYJZJIRV-OKYOBFRVSA-N 2 1 317.477 2.856 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000376160805 337028633 /nfs/dbraw/zinc/02/86/33/337028633.db2.gz FADRFWBYJZJIRV-MANSERQUSA-N 2 1 317.477 2.856 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)C2)nc(C)[nH+]1 ZINC000376460866 337033947 /nfs/dbraw/zinc/03/39/47/337033947.db2.gz BBOOGLCYEMFDTA-BBWFWOEESA-N 2 1 313.449 2.734 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858941 337062690 /nfs/dbraw/zinc/06/26/90/337062690.db2.gz DIAGSXDKQVFXPW-RDJZCZTQSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858941 337062691 /nfs/dbraw/zinc/06/26/91/337062691.db2.gz DIAGSXDKQVFXPW-RDJZCZTQSA-N 2 1 324.428 2.868 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437574828 338314029 /nfs/dbraw/zinc/31/40/29/338314029.db2.gz CAXVSCIJKNRZEG-IBGZPJMESA-N 2 1 318.436 2.610 20 30 DFEDMP C=CCc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1O ZINC000459730487 339044895 /nfs/dbraw/zinc/04/48/95/339044895.db2.gz KGLSAHYTEZWCHH-OAHLLOKOSA-N 2 1 318.461 2.951 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482168218 339625454 /nfs/dbraw/zinc/62/54/54/339625454.db2.gz XORFGKKSEHJSTF-ROUUACIJSA-N 2 1 323.525 2.901 20 30 DFEDMP C[N@H+](CCOc1cccc(C#N)c1)CC[C@H]1CCCC[NH+]1C ZINC000173962738 536400869 /nfs/dbraw/zinc/40/08/69/536400869.db2.gz CFVOSRWUXDTZMC-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@@H+](CCOc1cccc(C#N)c1)CC[C@H]1CCCC[NH+]1C ZINC000173962738 536400871 /nfs/dbraw/zinc/40/08/71/536400871.db2.gz CFVOSRWUXDTZMC-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1cccc(C#N)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000173962738 536400875 /nfs/dbraw/zinc/40/08/75/536400875.db2.gz CFVOSRWUXDTZMC-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1cccc(C#N)c1)CC[C@H]1CCCC[N@H+]1C ZINC000173962738 536400877 /nfs/dbraw/zinc/40/08/77/536400877.db2.gz CFVOSRWUXDTZMC-QGZVFWFLSA-N 2 1 301.434 2.743 20 30 DFEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645529 214298587 /nfs/dbraw/zinc/29/85/87/214298587.db2.gz SLVIBUSUDLPUEN-GJZGRUSLSA-N 2 1 319.424 2.849 20 30 DFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645529 214298589 /nfs/dbraw/zinc/29/85/89/214298589.db2.gz SLVIBUSUDLPUEN-GJZGRUSLSA-N 2 1 319.424 2.849 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578358387 398372110 /nfs/dbraw/zinc/37/21/10/398372110.db2.gz ABWDVKVBKBNXMR-IBGZPJMESA-N 2 1 316.445 2.836 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578358387 398372113 /nfs/dbraw/zinc/37/21/13/398372113.db2.gz ABWDVKVBKBNXMR-IBGZPJMESA-N 2 1 316.445 2.836 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000581066374 398387410 /nfs/dbraw/zinc/38/74/10/398387410.db2.gz LNBPXYHITKKWHG-APWZRJJASA-N 2 1 302.462 2.781 20 30 DFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)c(Cl)c1 ZINC000596365230 398395554 /nfs/dbraw/zinc/39/55/54/398395554.db2.gz XJLONVIDAQYODZ-ZDUSSCGKSA-N 2 1 308.857 2.896 20 30 DFEDMP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000053132878 282405532 /nfs/dbraw/zinc/40/55/32/282405532.db2.gz GJSFYOZDMOMFCK-UHFFFAOYSA-N 2 1 321.424 2.680 20 30 DFEDMP N#Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C(F)(F)F)c1 ZINC000589311519 398544859 /nfs/dbraw/zinc/54/48/59/398544859.db2.gz HPRYWWQTTUGUJR-CYBMUJFWSA-N 2 1 320.318 2.878 20 30 DFEDMP N#Cc1c(F)ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1Cl ZINC000365499460 283074633 /nfs/dbraw/zinc/07/46/33/283074633.db2.gz ZSGNIGOMKUBGOV-NSHDSACASA-N 2 1 318.783 2.899 20 30 DFEDMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cccc(C#N)c1 ZINC000591687897 398780869 /nfs/dbraw/zinc/78/08/69/398780869.db2.gz ABMHFLAWXTWIQR-CYBMUJFWSA-N 2 1 310.401 2.864 20 30 DFEDMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2C1 ZINC000594438230 398802557 /nfs/dbraw/zinc/80/25/57/398802557.db2.gz NHQGDUZYYYAJRD-MRXNPFEDSA-N 2 1 314.433 2.762 20 30 DFEDMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2C1 ZINC000594438230 398802559 /nfs/dbraw/zinc/80/25/59/398802559.db2.gz NHQGDUZYYYAJRD-MRXNPFEDSA-N 2 1 314.433 2.762 20 30 DFEDMP C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000598612414 398841543 /nfs/dbraw/zinc/84/15/43/398841543.db2.gz OZCUCSPCBYDGDX-ZOBUZTSGSA-N 2 1 307.482 2.530 20 30 DFEDMP N#CC1(c2ccc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000594939079 398876713 /nfs/dbraw/zinc/87/67/13/398876713.db2.gz ONJKEDDWZLGRHG-MRXNPFEDSA-N 2 1 306.413 2.790 20 30 DFEDMP N#CCSCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595510028 398954007 /nfs/dbraw/zinc/95/40/07/398954007.db2.gz JFFMDZUNRJUVQT-UHFFFAOYSA-N 2 1 303.475 2.887 20 30 DFEDMP CC[NH+](CC)CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634143 399036429 /nfs/dbraw/zinc/03/64/29/399036429.db2.gz SFBXJDYSAHANDE-UHFFFAOYSA-N 2 1 315.461 2.885 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000602502191 399461960 /nfs/dbraw/zinc/46/19/60/399461960.db2.gz JFZLCFWXJGXONA-IAGOWNOFSA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516226 399465721 /nfs/dbraw/zinc/46/57/21/399465721.db2.gz WKDCOXZJKMQAFZ-BRWVUGGUSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000602516226 399465724 /nfs/dbraw/zinc/46/57/24/399465724.db2.gz WKDCOXZJKMQAFZ-BRWVUGGUSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438566 399476966 /nfs/dbraw/zinc/47/69/66/399476966.db2.gz AIPTYASBMXSLQD-DNVCBOLYSA-N 2 1 313.445 2.852 20 30 DFEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000602593157 399485914 /nfs/dbraw/zinc/48/59/14/399485914.db2.gz MGBROUICXOYNKY-UHFFFAOYSA-N 2 1 306.413 2.839 20 30 DFEDMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000602659099 399506188 /nfs/dbraw/zinc/50/61/88/399506188.db2.gz NDWRLFVAJOVGIK-UHFFFAOYSA-N 2 1 321.852 2.537 20 30 DFEDMP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157528874 197194699 /nfs/dbraw/zinc/19/46/99/197194699.db2.gz OSCZHULYKVKMDU-GOSISDBHSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157528874 197194701 /nfs/dbraw/zinc/19/47/01/197194701.db2.gz OSCZHULYKVKMDU-GOSISDBHSA-N 2 1 313.445 2.887 20 30 DFEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000156643526 197130183 /nfs/dbraw/zinc/13/01/83/197130183.db2.gz IMKBUWGDCLKCCD-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156643526 197130185 /nfs/dbraw/zinc/13/01/85/197130185.db2.gz IMKBUWGDCLKCCD-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156643526 197130187 /nfs/dbraw/zinc/13/01/87/197130187.db2.gz IMKBUWGDCLKCCD-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373106460 150231223 /nfs/dbraw/zinc/23/12/23/150231223.db2.gz JFNNGRAWVSEHFO-INIZCTEOSA-N 2 1 310.401 2.680 20 30 DFEDMP COc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1C#N ZINC000374228699 150326031 /nfs/dbraw/zinc/32/60/31/150326031.db2.gz HSYJPAHOLNQQRQ-UHFFFAOYSA-N 2 1 324.428 2.755 20 30 DFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020593 /nfs/dbraw/zinc/02/05/93/196020593.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020596 /nfs/dbraw/zinc/02/05/96/196020596.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129114456 196020598 /nfs/dbraw/zinc/02/05/98/196020598.db2.gz PREPRRHQQQCTPF-MJGOQNOKSA-N 2 1 313.445 2.743 20 30 DFEDMP Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(C)[nH+]1 ZINC000133320807 196329311 /nfs/dbraw/zinc/32/93/11/196329311.db2.gz YULBSJPVZSCTFP-UHFFFAOYSA-N 2 1 309.417 2.533 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000344387468 266115829 /nfs/dbraw/zinc/11/58/29/266115829.db2.gz AGZRQDJCMYILAQ-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000125488197 425974956 /nfs/dbraw/zinc/97/49/56/425974956.db2.gz DAOIPKDOFDKPAJ-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000125488197 425974959 /nfs/dbraw/zinc/97/49/59/425974959.db2.gz DAOIPKDOFDKPAJ-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP CN(C)C(=[NH+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)N(C)C ZINC000162456946 426064840 /nfs/dbraw/zinc/06/48/40/426064840.db2.gz FAUNBENZVGMPCP-GOSISDBHSA-N 2 1 302.466 2.520 20 30 DFEDMP C[C@@H]1C[C@H](CNC(=[NH2+])N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000136868533 426247329 /nfs/dbraw/zinc/24/73/29/426247329.db2.gz SLOCJBJUUPIUEU-SJLPKXTDSA-N 2 1 314.477 2.698 20 30 DFEDMP C[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000120984607 426317691 /nfs/dbraw/zinc/31/76/91/426317691.db2.gz HQWLXCJITMPQOH-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000120984607 426317694 /nfs/dbraw/zinc/31/76/94/426317694.db2.gz HQWLXCJITMPQOH-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000120984607 426317696 /nfs/dbraw/zinc/31/76/96/426317696.db2.gz HQWLXCJITMPQOH-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP C[NH+](Cc1cccc(OCCCC#N)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120984607 426317700 /nfs/dbraw/zinc/31/77/00/426317700.db2.gz HQWLXCJITMPQOH-QGZVFWFLSA-N 2 1 301.434 2.753 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000121272379 426330199 /nfs/dbraw/zinc/33/01/99/426330199.db2.gz LYDGTQOQEWMKDT-QGZVFWFLSA-N 2 1 309.369 2.615 20 30 DFEDMP COc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000121272379 426330202 /nfs/dbraw/zinc/33/02/02/426330202.db2.gz LYDGTQOQEWMKDT-QGZVFWFLSA-N 2 1 309.369 2.615 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000264136466 426503386 /nfs/dbraw/zinc/50/33/86/426503386.db2.gz ZUYWHGGWWOBOED-AWEZNQCLSA-N 2 1 304.438 2.542 20 30 DFEDMP C[C@]1(CNC(=[NH2+])Nc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000186876100 426603278 /nfs/dbraw/zinc/60/32/78/426603278.db2.gz WDMUQRYVLHMYOO-LJQANCHMSA-N 2 1 323.444 2.863 20 30 DFEDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281619547 426730077 /nfs/dbraw/zinc/73/00/77/426730077.db2.gz HHPYKBZVDCOYSL-UHFFFAOYSA-N 2 1 301.434 2.921 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC000179090831 426750185 /nfs/dbraw/zinc/75/01/85/426750185.db2.gz OXRALQQHVHIXJM-APWZRJJASA-N 2 1 315.461 2.785 20 30 DFEDMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC1 ZINC000248372929 426992166 /nfs/dbraw/zinc/99/21/66/426992166.db2.gz DUTKUKRSBZWQNR-DOMZBBRYSA-N 2 1 306.479 2.540 20 30 DFEDMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000190484828 427120295 /nfs/dbraw/zinc/12/02/95/427120295.db2.gz XSBJQQYQLLUBFR-FQEVSTJZSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000190484828 427120303 /nfs/dbraw/zinc/12/03/03/427120303.db2.gz XSBJQQYQLLUBFR-FQEVSTJZSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000190484828 427120311 /nfs/dbraw/zinc/12/03/11/427120311.db2.gz XSBJQQYQLLUBFR-FQEVSTJZSA-N 2 1 320.440 2.907 20 30 DFEDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285939503 427379337 /nfs/dbraw/zinc/37/93/37/427379337.db2.gz FQKSNQPCCVXJRY-INIZCTEOSA-N 2 1 314.477 2.847 20 30 DFEDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285939503 427379341 /nfs/dbraw/zinc/37/93/41/427379341.db2.gz FQKSNQPCCVXJRY-INIZCTEOSA-N 2 1 314.477 2.847 20 30 DFEDMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000191977712 427457172 /nfs/dbraw/zinc/45/71/72/427457172.db2.gz SXHVFKQJNZLMJY-UHFFFAOYSA-N 2 1 306.413 2.974 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337189287 427812643 /nfs/dbraw/zinc/81/26/43/427812643.db2.gz RBGRSTFCBSQKEZ-QGZVFWFLSA-N 2 1 307.482 2.751 20 30 DFEDMP C#CCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000371188980 428376233 /nfs/dbraw/zinc/37/62/33/428376233.db2.gz OUOQLXGCMUUYFH-UHFFFAOYSA-N 2 1 300.450 2.798 20 30 DFEDMP C#CCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000371188980 428376238 /nfs/dbraw/zinc/37/62/38/428376238.db2.gz OUOQLXGCMUUYFH-UHFFFAOYSA-N 2 1 300.450 2.798 20 30 DFEDMP N#Cc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c(C(F)(F)F)c1 ZINC000353237792 428445049 /nfs/dbraw/zinc/44/50/49/428445049.db2.gz DURUVNDFSOLQBB-GFCCVEGCSA-N 2 1 320.318 2.947 20 30 DFEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353565344 428598246 /nfs/dbraw/zinc/59/82/46/428598246.db2.gz JSIVMAMDUROPMJ-INIZCTEOSA-N 2 1 314.477 2.845 20 30 DFEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353565344 428598252 /nfs/dbraw/zinc/59/82/52/428598252.db2.gz JSIVMAMDUROPMJ-INIZCTEOSA-N 2 1 314.477 2.845 20 30 DFEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000373615683 428620634 /nfs/dbraw/zinc/62/06/34/428620634.db2.gz LPHXFGBDSBEFEP-IEBWSBKVSA-N 2 1 308.429 2.679 20 30 DFEDMP C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000344116817 428624914 /nfs/dbraw/zinc/62/49/14/428624914.db2.gz NWXVYKWZFRJQPA-IBGZPJMESA-N 2 1 315.461 2.881 20 30 DFEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000344116817 428624919 /nfs/dbraw/zinc/62/49/19/428624919.db2.gz NWXVYKWZFRJQPA-IBGZPJMESA-N 2 1 315.461 2.881 20 30 DFEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000344116817 428624926 /nfs/dbraw/zinc/62/49/26/428624926.db2.gz NWXVYKWZFRJQPA-IBGZPJMESA-N 2 1 315.461 2.881 20 30 DFEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000344116817 428624929 /nfs/dbraw/zinc/62/49/29/428624929.db2.gz NWXVYKWZFRJQPA-IBGZPJMESA-N 2 1 315.461 2.881 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348133831 428638206 /nfs/dbraw/zinc/63/82/06/428638206.db2.gz CSJFWKIIJAMVFY-NEWSRXKRSA-N 2 1 302.462 2.671 20 30 DFEDMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670890 428649639 /nfs/dbraw/zinc/64/96/39/428649639.db2.gz WARIDSRYCLLGHK-BEFAXECRSA-N 2 1 313.445 2.636 20 30 DFEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670890 428649646 /nfs/dbraw/zinc/64/96/46/428649646.db2.gz WARIDSRYCLLGHK-BEFAXECRSA-N 2 1 313.445 2.636 20 30 DFEDMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411237008 428764748 /nfs/dbraw/zinc/76/47/48/428764748.db2.gz FXKSAOPADQAXGK-MRXNPFEDSA-N 2 1 307.482 2.628 20 30 DFEDMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411237008 428764749 /nfs/dbraw/zinc/76/47/49/428764749.db2.gz FXKSAOPADQAXGK-MRXNPFEDSA-N 2 1 307.482 2.628 20 30 DFEDMP CN(CC[N@@H+](C)CCC1(C#N)CCCCC1)C1CC[NH+](C)CC1 ZINC000411411813 428794239 /nfs/dbraw/zinc/79/42/39/428794239.db2.gz WACMDTOLFNHVEH-UHFFFAOYSA-N 2 1 320.525 2.808 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221945 428922270 /nfs/dbraw/zinc/92/22/70/428922270.db2.gz IBVBNNRKFKPPSL-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221945 428922273 /nfs/dbraw/zinc/92/22/73/428922273.db2.gz IBVBNNRKFKPPSL-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221945 428922278 /nfs/dbraw/zinc/92/22/78/428922278.db2.gz IBVBNNRKFKPPSL-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C[C@@H]1C ZINC000354221945 428922282 /nfs/dbraw/zinc/92/22/82/428922282.db2.gz IBVBNNRKFKPPSL-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP C=CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cccc([N+](=O)[O-])c1 ZINC000420298507 428954157 /nfs/dbraw/zinc/95/41/57/428954157.db2.gz HKCAWXGYIDRNNN-HNNXBMFYSA-N 2 1 303.406 2.973 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453371756 429146659 /nfs/dbraw/zinc/14/66/59/429146659.db2.gz UVPWPKPACQGKDM-MTQWCTHYSA-N 2 1 314.473 2.814 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000453284678 429146870 /nfs/dbraw/zinc/14/68/70/429146870.db2.gz BJLHRNJSWOQJAL-XSLAGTTESA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CCO1 ZINC000442798280 429236503 /nfs/dbraw/zinc/23/65/03/429236503.db2.gz YJUABHKVVWFSQO-GJYPPUQNSA-N 2 1 313.445 2.689 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CCO1 ZINC000442798280 429236508 /nfs/dbraw/zinc/23/65/08/429236508.db2.gz YJUABHKVVWFSQO-GJYPPUQNSA-N 2 1 313.445 2.689 20 30 DFEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449849145 429524591 /nfs/dbraw/zinc/52/45/91/429524591.db2.gz MLHQHFNCJLYUMQ-GOSISDBHSA-N 2 1 319.493 2.550 20 30 DFEDMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C#N ZINC000366950280 429545103 /nfs/dbraw/zinc/54/51/03/429545103.db2.gz FPZOGDPUAKUVEF-UHFFFAOYSA-N 2 1 313.445 2.875 20 30 DFEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000450342357 429604843 /nfs/dbraw/zinc/60/48/43/429604843.db2.gz RYHKGXXMJQYMPS-IYBDPMFKSA-N 2 1 305.466 2.501 20 30 DFEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000450342357 429604847 /nfs/dbraw/zinc/60/48/47/429604847.db2.gz RYHKGXXMJQYMPS-IYBDPMFKSA-N 2 1 305.466 2.501 20 30 DFEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000368492185 429857055 /nfs/dbraw/zinc/85/70/55/429857055.db2.gz AJFAVDXORLHFFC-DZVNLGKHSA-N 2 1 305.466 2.548 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000368492185 429857057 /nfs/dbraw/zinc/85/70/57/429857057.db2.gz AJFAVDXORLHFFC-DZVNLGKHSA-N 2 1 305.466 2.548 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528384846 429883374 /nfs/dbraw/zinc/88/33/74/429883374.db2.gz XSDOEWNSSZPBIC-KURKYZTESA-N 2 1 319.493 2.628 20 30 DFEDMP C=CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634645834 430065182 /nfs/dbraw/zinc/06/51/82/430065182.db2.gz UBOUGVLDIUHVDD-IBGZPJMESA-N 2 1 300.446 2.521 20 30 DFEDMP C=CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634645834 430065184 /nfs/dbraw/zinc/06/51/84/430065184.db2.gz UBOUGVLDIUHVDD-IBGZPJMESA-N 2 1 300.446 2.521 20 30 DFEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750260 430725000 /nfs/dbraw/zinc/72/50/00/430725000.db2.gz FTBUYLXGKFOORA-GOSISDBHSA-N 2 1 316.445 2.594 20 30 DFEDMP C=C(CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000644647402 430778927 /nfs/dbraw/zinc/77/89/27/430778927.db2.gz WUDDBMDFHGOCPE-NRFANRHFSA-N 2 1 322.452 2.709 20 30 DFEDMP C=C(CNC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000644647402 430778932 /nfs/dbraw/zinc/77/89/32/430778932.db2.gz WUDDBMDFHGOCPE-NRFANRHFSA-N 2 1 322.452 2.709 20 30 DFEDMP C=C(CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644647272 430779365 /nfs/dbraw/zinc/77/93/65/430779365.db2.gz KWWROAJSNSTEHW-HXUWFJFHSA-N 2 1 310.441 2.782 20 30 DFEDMP C=C(CNC[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644647272 430779371 /nfs/dbraw/zinc/77/93/71/430779371.db2.gz KWWROAJSNSTEHW-HXUWFJFHSA-N 2 1 310.441 2.782 20 30 DFEDMP C=CC[C@@]1(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CCC[NH2+]1 ZINC000662682925 431161998 /nfs/dbraw/zinc/16/19/98/431161998.db2.gz KRPDVAQVUHUGLJ-IBGZPJMESA-N 2 1 321.509 2.655 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498284 431606039 /nfs/dbraw/zinc/60/60/39/431606039.db2.gz DNZPJYAJTGEZCW-HOTGVXAUSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498284 431606044 /nfs/dbraw/zinc/60/60/44/431606044.db2.gz DNZPJYAJTGEZCW-HOTGVXAUSA-N 2 1 304.434 2.819 20 30 DFEDMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574880178 318046936 /nfs/dbraw/zinc/04/69/36/318046936.db2.gz LCMGWZPJKMBQIO-MRXNPFEDSA-N 2 1 316.405 2.773 20 30 DFEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000104178394 332244448 /nfs/dbraw/zinc/24/44/48/332244448.db2.gz XMANJPJVRCZTOR-UHFFFAOYSA-N 2 1 302.466 2.875 20 30 DFEDMP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000364026958 333222288 /nfs/dbraw/zinc/22/22/88/333222288.db2.gz BNRCENZLHPXWCO-PKOBYXMFSA-N 2 1 312.461 2.760 20 30 DFEDMP COc1cccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCC2)c1 ZINC000264120059 333952907 /nfs/dbraw/zinc/95/29/07/333952907.db2.gz QVVAZQWRPCJZTH-INIZCTEOSA-N 2 1 318.465 2.535 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)C2 ZINC000329785688 336081460 /nfs/dbraw/zinc/08/14/60/336081460.db2.gz QDSSZZNVDLMUMY-HOTGVXAUSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C2 ZINC000329785688 336081462 /nfs/dbraw/zinc/08/14/62/336081462.db2.gz QDSSZZNVDLMUMY-HOTGVXAUSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)C2 ZINC000329823785 336086660 /nfs/dbraw/zinc/08/66/60/336086660.db2.gz HSNPQBCMJNEITD-OAHLLOKOSA-N 2 1 318.465 2.975 20 30 DFEDMP C=CCOCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000370359342 336883111 /nfs/dbraw/zinc/88/31/11/336883111.db2.gz UHLREVXNIQNDMK-UHFFFAOYSA-N 2 1 306.425 2.625 20 30 DFEDMP C#CCOc1ccccc1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861436 337062846 /nfs/dbraw/zinc/06/28/46/337062846.db2.gz RDDLRGWGSQTELH-INIZCTEOSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccccc1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861436 337062847 /nfs/dbraw/zinc/06/28/47/337062847.db2.gz RDDLRGWGSQTELH-INIZCTEOSA-N 2 1 309.413 2.590 20 30 DFEDMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C1CCCC1 ZINC000378457802 337073392 /nfs/dbraw/zinc/07/33/92/337073392.db2.gz RDEBXABTOVEIKR-MLHJIOFPSA-N 2 1 305.466 2.690 20 30 DFEDMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C1CCCC1 ZINC000378457802 337073393 /nfs/dbraw/zinc/07/33/93/337073393.db2.gz RDEBXABTOVEIKR-MLHJIOFPSA-N 2 1 305.466 2.690 20 30 DFEDMP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000192989188 337308747 /nfs/dbraw/zinc/30/87/47/337308747.db2.gz QWARPNYRLBMYSA-DLBZAZTESA-N 2 1 305.466 2.693 20 30 DFEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000436314096 338268696 /nfs/dbraw/zinc/26/86/96/338268696.db2.gz XRGHFAAMBLWWCH-MKXGPGLRSA-N 2 1 324.509 2.694 20 30 DFEDMP C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000337178693 398575410 /nfs/dbraw/zinc/57/54/10/398575410.db2.gz KNIZPOWJCIHARU-RDTXWAMCSA-N 2 1 324.428 2.618 20 30 DFEDMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000597198244 398588415 /nfs/dbraw/zinc/58/84/15/398588415.db2.gz MFSJRMPUDCXAFR-SJLPKXTDSA-N 2 1 301.434 2.799 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277159400 213334962 /nfs/dbraw/zinc/33/49/62/213334962.db2.gz KAXNJWZMNFLWMC-UHFFFAOYSA-N 2 1 320.481 2.582 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277159400 213334964 /nfs/dbraw/zinc/33/49/64/213334964.db2.gz KAXNJWZMNFLWMC-UHFFFAOYSA-N 2 1 320.481 2.582 20 30 DFEDMP C=C(C)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000073436833 398681394 /nfs/dbraw/zinc/68/13/94/398681394.db2.gz HGWUQJRKXNDQHE-UHFFFAOYSA-N 2 1 318.465 2.553 20 30 DFEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882928 198263540 /nfs/dbraw/zinc/26/35/40/198263540.db2.gz JFRCEOQZWRVXFP-GOSISDBHSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173882928 198263542 /nfs/dbraw/zinc/26/35/42/198263542.db2.gz JFRCEOQZWRVXFP-GOSISDBHSA-N 2 1 313.445 2.745 20 30 DFEDMP N#CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000591357747 398752260 /nfs/dbraw/zinc/75/22/60/398752260.db2.gz PPKUELHNOGJQBI-UHFFFAOYSA-N 2 1 313.445 2.945 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199633 283211049 /nfs/dbraw/zinc/21/10/49/283211049.db2.gz INUNXMOJVUGVRB-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199633 283211055 /nfs/dbraw/zinc/21/10/55/283211055.db2.gz INUNXMOJVUGVRB-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199633 283211056 /nfs/dbraw/zinc/21/10/56/283211056.db2.gz INUNXMOJVUGVRB-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199633 283211061 /nfs/dbraw/zinc/21/10/61/283211061.db2.gz INUNXMOJVUGVRB-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000598705119 398858547 /nfs/dbraw/zinc/85/85/47/398858547.db2.gz YZVJRZISZDNVTR-SFHVURJKSA-N 2 1 315.461 2.541 20 30 DFEDMP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000595297559 398918884 /nfs/dbraw/zinc/91/88/84/398918884.db2.gz WHUQPHJEBOVYRI-IBGZPJMESA-N 2 1 317.477 2.717 20 30 DFEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000595297559 398918888 /nfs/dbraw/zinc/91/88/88/398918888.db2.gz WHUQPHJEBOVYRI-IBGZPJMESA-N 2 1 317.477 2.717 20 30 DFEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595297559 398918891 /nfs/dbraw/zinc/91/88/91/398918891.db2.gz WHUQPHJEBOVYRI-IBGZPJMESA-N 2 1 317.477 2.717 20 30 DFEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595297559 398918894 /nfs/dbraw/zinc/91/88/94/398918894.db2.gz WHUQPHJEBOVYRI-IBGZPJMESA-N 2 1 317.477 2.717 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599307886 398952385 /nfs/dbraw/zinc/95/23/85/398952385.db2.gz NTENRYRVWGSNKK-IBGZPJMESA-N 2 1 315.461 2.799 20 30 DFEDMP CC(CC[NH+]1CC[C@@](C)(C#N)C1)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841834 399109595 /nfs/dbraw/zinc/10/95/95/399109595.db2.gz ORNHLSKVVUPUOK-ROUUACIJSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@H](CC[NH2+]C[C@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726696 399126075 /nfs/dbraw/zinc/12/60/75/399126075.db2.gz GSKONVXZGJCVSD-SJLPKXTDSA-N 2 1 315.461 2.541 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000596058362 399157919 /nfs/dbraw/zinc/15/79/19/399157919.db2.gz FVLWQAHQJVEIIK-INIZCTEOSA-N 2 1 301.409 2.909 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000596058362 399157924 /nfs/dbraw/zinc/15/79/24/399157924.db2.gz FVLWQAHQJVEIIK-INIZCTEOSA-N 2 1 301.409 2.909 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000608861113 399298834 /nfs/dbraw/zinc/29/88/34/399298834.db2.gz UHGPMBVNBAJXLK-MRXNPFEDSA-N 2 1 310.401 2.670 20 30 DFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000609133468 399304782 /nfs/dbraw/zinc/30/47/82/399304782.db2.gz LOFNMZQJLXDHOP-UHFFFAOYSA-N 2 1 315.461 2.989 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C)C1 ZINC000602545731 399472460 /nfs/dbraw/zinc/47/24/60/399472460.db2.gz OJWMQFSWLXWBTC-BFWZDYSYSA-N 2 1 307.482 2.795 20 30 DFEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000270185435 208248451 /nfs/dbraw/zinc/24/84/51/208248451.db2.gz CAWGBUREKRLLOO-MRXNPFEDSA-N 2 1 301.409 2.861 20 30 DFEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000156480724 197117332 /nfs/dbraw/zinc/11/73/32/197117332.db2.gz ODICQUWUNIEKPI-OALUTQOASA-N 2 1 313.445 2.542 20 30 DFEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000156480724 197117334 /nfs/dbraw/zinc/11/73/34/197117334.db2.gz ODICQUWUNIEKPI-OALUTQOASA-N 2 1 313.445 2.542 20 30 DFEDMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000602951638 399637274 /nfs/dbraw/zinc/63/72/74/399637274.db2.gz WVOQLOBHLFOKQE-MRXNPFEDSA-N 2 1 307.482 2.628 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339072248 543139759 /nfs/dbraw/zinc/13/97/59/543139759.db2.gz VICIPBXDMHKHIE-CEXWTWQISA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000339072248 543139761 /nfs/dbraw/zinc/13/97/61/543139761.db2.gz VICIPBXDMHKHIE-CEXWTWQISA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000339072248 543139762 /nfs/dbraw/zinc/13/97/62/543139762.db2.gz VICIPBXDMHKHIE-CEXWTWQISA-N 2 1 305.510 2.901 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000130698620 196102883 /nfs/dbraw/zinc/10/28/83/196102883.db2.gz IDZKWTRECNMXMZ-UHFFFAOYSA-N 2 1 312.417 2.854 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000130698620 196102885 /nfs/dbraw/zinc/10/28/85/196102885.db2.gz IDZKWTRECNMXMZ-UHFFFAOYSA-N 2 1 312.417 2.854 20 30 DFEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423190251 270000792 /nfs/dbraw/zinc/00/07/92/270000792.db2.gz QTDUXEVLHWKMIJ-LJQANCHMSA-N 2 1 306.413 2.710 20 30 DFEDMP CCCC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000342728542 266032126 /nfs/dbraw/zinc/03/21/26/266032126.db2.gz NGJKAOYWVWJRID-UHFFFAOYSA-N 2 1 311.433 2.560 20 30 DFEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC)c1ccc(C(F)(F)F)cc1 ZINC000076105977 426100537 /nfs/dbraw/zinc/10/05/37/426100537.db2.gz UMCMZKUOQRBMQJ-CYBMUJFWSA-N 2 1 316.371 2.622 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162941387 426084081 /nfs/dbraw/zinc/08/40/81/426084081.db2.gz FZOMGSRRVVAOPK-KRWDZBQOSA-N 2 1 313.445 2.886 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129462139 426140622 /nfs/dbraw/zinc/14/06/22/426140622.db2.gz WEZMJQUZQZDTJX-YESZJQIVSA-N 2 1 318.465 2.579 20 30 DFEDMP C[C@H]1C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000136869685 426247479 /nfs/dbraw/zinc/24/74/79/426247479.db2.gz AFPCFRGTUBVQSV-HOCLYGCPSA-N 2 1 302.466 2.600 20 30 DFEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000177691915 426506292 /nfs/dbraw/zinc/50/62/92/426506292.db2.gz RZOVTMDGMBPNMW-OKILXGFUSA-N 2 1 307.463 2.599 20 30 DFEDMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000195164947 426505406 /nfs/dbraw/zinc/50/54/06/426505406.db2.gz MTABEBPBSNUARE-GOSISDBHSA-N 2 1 314.477 2.555 20 30 DFEDMP Cc1nccn1C[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000178292600 426599022 /nfs/dbraw/zinc/59/90/22/426599022.db2.gz DUTWOZBDVYPPQT-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000178292600 426599028 /nfs/dbraw/zinc/59/90/28/426599028.db2.gz DUTWOZBDVYPPQT-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000178292600 426599032 /nfs/dbraw/zinc/59/90/32/426599032.db2.gz DUTWOZBDVYPPQT-QGZVFWFLSA-N 2 1 310.401 2.607 20 30 DFEDMP C[C@@]1(CNC(=[NH2+])Nc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000186876119 426602425 /nfs/dbraw/zinc/60/24/25/426602425.db2.gz WDMUQRYVLHMYOO-IBGZPJMESA-N 2 1 323.444 2.863 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000237208734 426690410 /nfs/dbraw/zinc/69/04/10/426690410.db2.gz XDPLJIWHLMNOPI-MOPGFXCFSA-N 2 1 312.461 2.753 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000237208734 426690412 /nfs/dbraw/zinc/69/04/12/426690412.db2.gz XDPLJIWHLMNOPI-MOPGFXCFSA-N 2 1 312.461 2.753 20 30 DFEDMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ccc1C#N ZINC000281736178 426756367 /nfs/dbraw/zinc/75/63/67/426756367.db2.gz QFFCFCUDFSMAAP-OAHLLOKOSA-N 2 1 301.434 2.778 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000246224555 426810372 /nfs/dbraw/zinc/81/03/72/426810372.db2.gz PODKJDYKWGICNK-WMLDXEAASA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000246224555 426810376 /nfs/dbraw/zinc/81/03/76/426810376.db2.gz PODKJDYKWGICNK-WMLDXEAASA-N 2 1 321.490 2.846 20 30 DFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975779 /nfs/dbraw/zinc/97/57/79/426975779.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975788 /nfs/dbraw/zinc/97/57/88/426975788.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000248030946 426975792 /nfs/dbraw/zinc/97/57/92/426975792.db2.gz QIJPNKVLDVVOMH-PKOBYXMFSA-N 2 1 313.445 2.743 20 30 DFEDMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000190484843 427121962 /nfs/dbraw/zinc/12/19/62/427121962.db2.gz XSBJQQYQLLUBFR-HXUWFJFHSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000190484843 427121970 /nfs/dbraw/zinc/12/19/70/427121970.db2.gz XSBJQQYQLLUBFR-HXUWFJFHSA-N 2 1 320.440 2.907 20 30 DFEDMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000190484843 427121977 /nfs/dbraw/zinc/12/19/77/427121977.db2.gz XSBJQQYQLLUBFR-HXUWFJFHSA-N 2 1 320.440 2.907 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190773498 427178824 /nfs/dbraw/zinc/17/88/24/427178824.db2.gz WYTMNYHGQIBOMW-IYBDPMFKSA-N 2 1 302.466 2.744 20 30 DFEDMP CC[NH+]=C(NCc1ccsc1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261959905 427347472 /nfs/dbraw/zinc/34/74/72/427347472.db2.gz JXHILACDXXRCLL-HIFRSBDPSA-N 2 1 308.495 2.532 20 30 DFEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc2c1CCCC2 ZINC000262421073 427358880 /nfs/dbraw/zinc/35/88/80/427358880.db2.gz BBAFUTZRMAJTNN-CQSZACIVSA-N 2 1 312.461 2.776 20 30 DFEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000262529619 427361088 /nfs/dbraw/zinc/36/10/88/427361088.db2.gz MTZLVQJLDPITHN-UKRRQHHQSA-N 2 1 308.495 2.610 20 30 DFEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1cccs1 ZINC000262513794 427361352 /nfs/dbraw/zinc/36/13/52/427361352.db2.gz FIRHPWKVODDJIN-OCCSQVGLSA-N 2 1 308.495 2.834 20 30 DFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1cccs1 ZINC000262513790 427362271 /nfs/dbraw/zinc/36/22/71/427362271.db2.gz FIRHPWKVODDJIN-GXTWGEPZSA-N 2 1 308.495 2.834 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000271304053 427488659 /nfs/dbraw/zinc/48/86/59/427488659.db2.gz POBQOKMYIUDFDF-KRWDZBQOSA-N 2 1 313.445 2.886 20 30 DFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000336864358 427766053 /nfs/dbraw/zinc/76/60/53/427766053.db2.gz RGFHVMPUBJIVRJ-MRXNPFEDSA-N 2 1 309.498 2.731 20 30 DFEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440548 427776135 /nfs/dbraw/zinc/77/61/35/427776135.db2.gz LKHJKMFBBKFWPT-GOSISDBHSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440548 427776137 /nfs/dbraw/zinc/77/61/37/427776137.db2.gz LKHJKMFBBKFWPT-GOSISDBHSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000339440548 427776139 /nfs/dbraw/zinc/77/61/39/427776139.db2.gz LKHJKMFBBKFWPT-GOSISDBHSA-N 2 1 305.466 2.505 20 30 DFEDMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C#N)cc1Cl ZINC000369614673 428015091 /nfs/dbraw/zinc/01/50/91/428015091.db2.gz GXJSWSKXZJXVAZ-NWANDNLSSA-N 2 1 319.836 2.725 20 30 DFEDMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000377301224 428101996 /nfs/dbraw/zinc/10/19/96/428101996.db2.gz ZTDXQPQKTNEYQP-OALUTQOASA-N 2 1 306.413 2.736 20 30 DFEDMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000377301224 428102002 /nfs/dbraw/zinc/10/20/02/428102002.db2.gz ZTDXQPQKTNEYQP-OALUTQOASA-N 2 1 306.413 2.736 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000373037947 428516133 /nfs/dbraw/zinc/51/61/33/428516133.db2.gz RRQMUVAXJVZESB-DOTOQJQBSA-N 2 1 301.434 2.894 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000373037947 428516138 /nfs/dbraw/zinc/51/61/38/428516138.db2.gz RRQMUVAXJVZESB-DOTOQJQBSA-N 2 1 301.434 2.894 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000373184643 428521087 /nfs/dbraw/zinc/52/10/87/428521087.db2.gz FODYWFYFWNWUMR-MLHJIOFPSA-N 2 1 316.449 2.801 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000354077877 428851543 /nfs/dbraw/zinc/85/15/43/428851543.db2.gz JRLDGTVPAIFPER-HNNXBMFYSA-N 2 1 307.463 2.552 20 30 DFEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](C#N)CCC#N)CC2)C1CC1 ZINC000362618022 428795073 /nfs/dbraw/zinc/79/50/73/428795073.db2.gz WFICKJOMXUCOFZ-HOTGVXAUSA-N 2 1 300.450 2.626 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000354220929 428924319 /nfs/dbraw/zinc/92/43/19/428924319.db2.gz FZKZQGKRAHPYDE-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000354220929 428924323 /nfs/dbraw/zinc/92/43/23/428924323.db2.gz FZKZQGKRAHPYDE-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000354220929 428924326 /nfs/dbraw/zinc/92/43/26/428924326.db2.gz FZKZQGKRAHPYDE-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422973558 429053007 /nfs/dbraw/zinc/05/30/07/429053007.db2.gz CCFROXCEIYLJLW-AWEZNQCLSA-N 2 1 302.466 2.540 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453348704 429147277 /nfs/dbraw/zinc/14/72/77/429147277.db2.gz IAJJYHNJGRWMCJ-OMZCGLGVSA-N 2 1 312.457 2.830 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887105 429239216 /nfs/dbraw/zinc/23/92/16/429239216.db2.gz WPSZQCKYDLEEGQ-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887105 429239220 /nfs/dbraw/zinc/23/92/20/429239220.db2.gz WPSZQCKYDLEEGQ-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887105 429239221 /nfs/dbraw/zinc/23/92/21/429239221.db2.gz WPSZQCKYDLEEGQ-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887105 429239224 /nfs/dbraw/zinc/23/92/24/429239224.db2.gz WPSZQCKYDLEEGQ-RHSMWYFYSA-N 2 1 301.434 2.871 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000491072766 429322520 /nfs/dbraw/zinc/32/25/20/429322520.db2.gz VPPSPVXAQJPXRC-QGZVFWFLSA-N 2 1 315.417 2.775 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000491072766 429322524 /nfs/dbraw/zinc/32/25/24/429322524.db2.gz VPPSPVXAQJPXRC-QGZVFWFLSA-N 2 1 315.417 2.775 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000491803041 429412051 /nfs/dbraw/zinc/41/20/51/429412051.db2.gz HZUYBHXHQYPFCG-MJGOQNOKSA-N 3 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000491803041 429412055 /nfs/dbraw/zinc/41/20/55/429412055.db2.gz HZUYBHXHQYPFCG-MJGOQNOKSA-N 3 1 305.510 2.574 20 30 DFEDMP C[N@@H+](C[C@H](C#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886904 429736642 /nfs/dbraw/zinc/73/66/42/429736642.db2.gz RNCYUJWQFHKEFU-KRWDZBQOSA-N 2 1 311.433 2.673 20 30 DFEDMP C[C@H]1CN(CC#CC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000573528208 429960710 /nfs/dbraw/zinc/96/07/10/429960710.db2.gz XPXBJMXBNVFOHL-KBPBESRZSA-N 2 1 320.374 2.944 20 30 DFEDMP C[C@H]1CN(CC#CCN2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000573528208 429960713 /nfs/dbraw/zinc/96/07/13/429960713.db2.gz XPXBJMXBNVFOHL-KBPBESRZSA-N 2 1 320.374 2.944 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000575861576 430099836 /nfs/dbraw/zinc/09/98/36/430099836.db2.gz BIQUMSFAGMZYDA-SFHVURJKSA-N 2 1 322.880 2.874 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063874 430110204 /nfs/dbraw/zinc/11/02/04/430110204.db2.gz MVIXWUYJDXFLOK-ZWKOTPCHSA-N 2 1 300.446 2.710 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577063874 430110209 /nfs/dbraw/zinc/11/02/09/430110209.db2.gz MVIXWUYJDXFLOK-ZWKOTPCHSA-N 2 1 300.446 2.710 20 30 DFEDMP C[C@H](NC[C@@H](C#N)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562282232 430116416 /nfs/dbraw/zinc/11/64/16/430116416.db2.gz CIQNLXWTINHEPP-QXAKKESOSA-N 2 1 310.445 2.930 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000555879157 430675297 /nfs/dbraw/zinc/67/52/97/430675297.db2.gz VPKFVKZXXUYRAY-JKSUJKDBSA-N 2 1 313.445 2.804 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000555879157 430675299 /nfs/dbraw/zinc/67/52/99/430675299.db2.gz VPKFVKZXXUYRAY-JKSUJKDBSA-N 2 1 313.445 2.804 20 30 DFEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000657873316 430759018 /nfs/dbraw/zinc/75/90/18/430759018.db2.gz WQVCJUNLMRPUMV-MOPGFXCFSA-N 2 1 307.526 2.985 20 30 DFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658143463 430823522 /nfs/dbraw/zinc/82/35/22/430823522.db2.gz YKXMOGJBAUNWEL-FRQCXROJSA-N 2 1 302.462 2.944 20 30 DFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651720212 430857763 /nfs/dbraw/zinc/85/77/63/430857763.db2.gz TVEJMSYXZYHSEC-YZGWKJHDSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651720212 430857765 /nfs/dbraw/zinc/85/77/65/430857765.db2.gz TVEJMSYXZYHSEC-YZGWKJHDSA-N 2 1 314.473 2.958 20 30 DFEDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000565152828 302198036 /nfs/dbraw/zinc/19/80/36/302198036.db2.gz QWRJOIYYEWMMRA-RTBURBONSA-N 2 1 315.461 2.836 20 30 DFEDMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574880176 318047022 /nfs/dbraw/zinc/04/70/22/318047022.db2.gz LCMGWZPJKMBQIO-INIZCTEOSA-N 2 1 316.405 2.773 20 30 DFEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000577054351 318168008 /nfs/dbraw/zinc/16/80/08/318168008.db2.gz CPLJDIYTCAXDLI-KUQKPQIMSA-N 2 1 313.445 2.836 20 30 DFEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000577054352 318168051 /nfs/dbraw/zinc/16/80/51/318168051.db2.gz CPLJDIYTCAXDLI-LTDKPHRXSA-N 2 1 313.445 2.836 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253757 332123150 /nfs/dbraw/zinc/12/31/50/332123150.db2.gz NGQYIPIHWWVSDT-SFHVURJKSA-N 2 1 314.477 2.810 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253757 332123151 /nfs/dbraw/zinc/12/31/51/332123151.db2.gz NGQYIPIHWWVSDT-SFHVURJKSA-N 2 1 314.477 2.810 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253757 332123152 /nfs/dbraw/zinc/12/31/52/332123152.db2.gz NGQYIPIHWWVSDT-SFHVURJKSA-N 2 1 314.477 2.810 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1O ZINC000566230336 332264540 /nfs/dbraw/zinc/26/45/40/332264540.db2.gz FBILFJQVQYASTL-LJQANCHMSA-N 2 1 316.445 2.705 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(OC)c1O ZINC000566230336 332264541 /nfs/dbraw/zinc/26/45/41/332264541.db2.gz FBILFJQVQYASTL-LJQANCHMSA-N 2 1 316.445 2.705 20 30 DFEDMP C=CCC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccco1 ZINC000560515969 332348949 /nfs/dbraw/zinc/34/89/49/332348949.db2.gz DTQNVZBSMXENSE-QGZVFWFLSA-N 2 1 305.466 2.904 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C)C2)CC1 ZINC000248401041 332587992 /nfs/dbraw/zinc/58/79/92/332587992.db2.gz RFPLLNFZSHOKTA-NXHRZFHOSA-N 2 1 322.493 2.984 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000295087160 335131833 /nfs/dbraw/zinc/13/18/33/335131833.db2.gz UMHDOMOZTVPJGQ-CYBMUJFWSA-N 2 1 304.463 2.549 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000295087160 335131834 /nfs/dbraw/zinc/13/18/34/335131834.db2.gz UMHDOMOZTVPJGQ-CYBMUJFWSA-N 2 1 304.463 2.549 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000294944186 335129103 /nfs/dbraw/zinc/12/91/03/335129103.db2.gz IDVADZHWRFWFBF-INIZCTEOSA-N 2 1 315.461 2.511 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000294944186 335129105 /nfs/dbraw/zinc/12/91/05/335129105.db2.gz IDVADZHWRFWFBF-INIZCTEOSA-N 2 1 315.461 2.511 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000295067653 335131953 /nfs/dbraw/zinc/13/19/53/335131953.db2.gz RSPYYFYNTUGHLK-INIZCTEOSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000295067653 335131955 /nfs/dbraw/zinc/13/19/55/335131955.db2.gz RSPYYFYNTUGHLK-INIZCTEOSA-N 2 1 315.461 2.565 20 30 DFEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000364356536 333298880 /nfs/dbraw/zinc/29/88/80/333298880.db2.gz UGOYBNLQWLDFFS-GOSISDBHSA-N 2 1 320.525 2.808 20 30 DFEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CCC1 ZINC000262409884 333858051 /nfs/dbraw/zinc/85/80/51/333858051.db2.gz CXCZHZCCKJOMSV-CQSZACIVSA-N 2 1 306.479 2.603 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275613856 334072248 /nfs/dbraw/zinc/07/22/48/334072248.db2.gz RDDQOWBFQGYKTA-QGZVFWFLSA-N 2 1 323.444 2.585 20 30 DFEDMP CC(C)Oc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000287010461 334156011 /nfs/dbraw/zinc/15/60/11/334156011.db2.gz FSTIJAQQSKTYFG-KRWDZBQOSA-N 2 1 320.481 2.556 20 30 DFEDMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OCCCC#N ZINC000291801709 334182006 /nfs/dbraw/zinc/18/20/06/334182006.db2.gz XHRGEJQZFRDWJY-HNNXBMFYSA-N 2 1 319.449 2.665 20 30 DFEDMP CN(C)C(=[NH+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)N(C)C ZINC000104177797 336383823 /nfs/dbraw/zinc/38/38/23/336383823.db2.gz LLCZTENFEJFIGB-KRWDZBQOSA-N 2 1 302.466 2.520 20 30 DFEDMP C#Cc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000377645894 337057363 /nfs/dbraw/zinc/05/73/63/337057363.db2.gz IHUQCFSKNULNPH-UHFFFAOYSA-N 2 1 312.457 2.743 20 30 DFEDMP C#CCOc1ccccc1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861437 337062919 /nfs/dbraw/zinc/06/29/19/337062919.db2.gz RDDLRGWGSQTELH-MRXNPFEDSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861437 337062920 /nfs/dbraw/zinc/06/29/20/337062920.db2.gz RDDLRGWGSQTELH-MRXNPFEDSA-N 2 1 309.413 2.590 20 30 DFEDMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C1CCCC1 ZINC000378457803 337073385 /nfs/dbraw/zinc/07/33/85/337073385.db2.gz RDEBXABTOVEIKR-TVFCKZIOSA-N 2 1 305.466 2.690 20 30 DFEDMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C1CCCC1 ZINC000378457803 337073386 /nfs/dbraw/zinc/07/33/86/337073386.db2.gz RDEBXABTOVEIKR-TVFCKZIOSA-N 2 1 305.466 2.690 20 30 DFEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156805 337190186 /nfs/dbraw/zinc/19/01/86/337190186.db2.gz BXGHTMSNVQBCNK-ZIAGYGMSSA-N 2 1 312.417 2.522 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185826059 337250499 /nfs/dbraw/zinc/25/04/99/337250499.db2.gz YDLRNJNJAJRCKV-XMTFNYHQSA-N 2 1 307.482 2.795 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C)C2)CC1 ZINC000161676002 337594713 /nfs/dbraw/zinc/59/47/13/337594713.db2.gz RFPLLNFZSHOKTA-JQHSSLGASA-N 2 1 322.493 2.984 20 30 DFEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449122062 338595244 /nfs/dbraw/zinc/59/52/44/338595244.db2.gz JZKZRZIWTSGQMI-INIZCTEOSA-N 2 1 309.498 2.654 20 30 DFEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645764 214299983 /nfs/dbraw/zinc/29/99/83/214299983.db2.gz SMHVLGDYAJQXHL-HOTGVXAUSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645764 214299986 /nfs/dbraw/zinc/29/99/86/214299986.db2.gz SMHVLGDYAJQXHL-HOTGVXAUSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592331 398838086 /nfs/dbraw/zinc/83/80/86/398838086.db2.gz JPISBPJNVBRMBB-KURKYZTESA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592331 398838087 /nfs/dbraw/zinc/83/80/87/398838087.db2.gz JPISBPJNVBRMBB-KURKYZTESA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592331 398838088 /nfs/dbraw/zinc/83/80/88/398838088.db2.gz JPISBPJNVBRMBB-KURKYZTESA-N 2 1 321.509 2.874 20 30 DFEDMP C#CCSCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000181092641 199251463 /nfs/dbraw/zinc/25/14/63/199251463.db2.gz JYOOHXUYZDRRIM-UHFFFAOYSA-N 2 1 320.477 2.789 20 30 DFEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271992652 209367732 /nfs/dbraw/zinc/36/77/32/209367732.db2.gz ZZEJJVVJZAAUAT-RHSMWYFYSA-N 2 1 319.424 2.585 20 30 DFEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC1(C#N)CCOCC1)C2 ZINC000595505581 398952443 /nfs/dbraw/zinc/95/24/43/398952443.db2.gz WKMVWMCTKBHXFV-SFHVURJKSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000595505581 398952445 /nfs/dbraw/zinc/95/24/45/398952445.db2.gz WKMVWMCTKBHXFV-SFHVURJKSA-N 2 1 305.466 2.505 20 30 DFEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC1(C#N)CCOCC1)C2 ZINC000595505581 398952447 /nfs/dbraw/zinc/95/24/47/398952447.db2.gz WKMVWMCTKBHXFV-SFHVURJKSA-N 2 1 305.466 2.505 20 30 DFEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCOc1cccc(C#N)c1)C2 ZINC000595505593 398952393 /nfs/dbraw/zinc/95/23/93/398952393.db2.gz WLVXSRDIXZCYDQ-LJQANCHMSA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCOc1cccc(C#N)c1)C2 ZINC000595505593 398952396 /nfs/dbraw/zinc/95/23/96/398952396.db2.gz WLVXSRDIXZCYDQ-LJQANCHMSA-N 2 1 313.445 2.745 20 30 DFEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCOc1cccc(C#N)c1)C2 ZINC000595505593 398952397 /nfs/dbraw/zinc/95/23/97/398952397.db2.gz WLVXSRDIXZCYDQ-LJQANCHMSA-N 2 1 313.445 2.745 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000599355268 398959432 /nfs/dbraw/zinc/95/94/32/398959432.db2.gz XKIAOCUICISVND-KSSFIOAISA-N 2 1 324.428 2.886 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000599355267 398960328 /nfs/dbraw/zinc/96/03/28/398960328.db2.gz XKIAOCUICISVND-KDOFPFPSSA-N 2 1 324.428 2.886 20 30 DFEDMP N#CC[C@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620780 399005867 /nfs/dbraw/zinc/00/58/67/399005867.db2.gz QSJKQLDZWMWVSF-KVHJKKSTSA-N 2 1 300.450 2.794 20 30 DFEDMP N#CC[C@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620780 399005870 /nfs/dbraw/zinc/00/58/70/399005870.db2.gz QSJKQLDZWMWVSF-KVHJKKSTSA-N 2 1 300.450 2.794 20 30 DFEDMP N#CC[C@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620780 399005875 /nfs/dbraw/zinc/00/58/75/399005875.db2.gz QSJKQLDZWMWVSF-KVHJKKSTSA-N 2 1 300.450 2.794 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250781 212224747 /nfs/dbraw/zinc/22/47/47/212224747.db2.gz GPVHVFIZGHNBOC-JKSUJKDBSA-N 2 1 303.450 2.644 20 30 DFEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250781 212224751 /nfs/dbraw/zinc/22/47/51/212224751.db2.gz GPVHVFIZGHNBOC-JKSUJKDBSA-N 2 1 303.450 2.644 20 30 DFEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305818975 296121955 /nfs/dbraw/zinc/12/19/55/296121955.db2.gz NSVKPZRQHAXOPL-GDBMZVCRSA-N 2 1 319.424 2.585 20 30 DFEDMP C#CCSCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274896977 212018843 /nfs/dbraw/zinc/01/88/43/212018843.db2.gz KKPABDWSSOYMTJ-SJLPKXTDSA-N 2 1 302.487 2.853 20 30 DFEDMP C#CCSCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274896976 212018507 /nfs/dbraw/zinc/01/85/07/212018507.db2.gz KKPABDWSSOYMTJ-FUHWJXTLSA-N 2 1 302.487 2.853 20 30 DFEDMP C=CCCSCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601961706 399369907 /nfs/dbraw/zinc/36/99/07/399369907.db2.gz ZVMMVRHUXZMUMV-GOSISDBHSA-N 2 1 320.502 2.522 20 30 DFEDMP C=CCCSCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601961706 399369908 /nfs/dbraw/zinc/36/99/08/399369908.db2.gz ZVMMVRHUXZMUMV-GOSISDBHSA-N 2 1 320.502 2.522 20 30 DFEDMP C=CCCSCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601961708 399369929 /nfs/dbraw/zinc/36/99/29/399369929.db2.gz ZVMMVRHUXZMUMV-SFHVURJKSA-N 2 1 320.502 2.522 20 30 DFEDMP C=CCCSCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601961708 399369930 /nfs/dbraw/zinc/36/99/30/399369930.db2.gz ZVMMVRHUXZMUMV-SFHVURJKSA-N 2 1 320.502 2.522 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193290440 335045331 /nfs/dbraw/zinc/04/53/31/335045331.db2.gz LEWPCNCNPQUQRD-UHFFFAOYSA-N 2 1 300.446 2.794 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000602520900 399467203 /nfs/dbraw/zinc/46/72/03/399467203.db2.gz KYSSKRIMYRQZCJ-IRXDYDNUSA-N 2 1 315.461 2.937 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000602520900 399467205 /nfs/dbraw/zinc/46/72/05/399467205.db2.gz KYSSKRIMYRQZCJ-IRXDYDNUSA-N 2 1 315.461 2.937 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000602559057 399475277 /nfs/dbraw/zinc/47/52/77/399475277.db2.gz AWIQPTPKMGKCDO-XYTVBORESA-N 2 1 305.466 2.690 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000602559057 399475279 /nfs/dbraw/zinc/47/52/79/399475279.db2.gz AWIQPTPKMGKCDO-XYTVBORESA-N 2 1 305.466 2.690 20 30 DFEDMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000602579596 399481404 /nfs/dbraw/zinc/48/14/04/399481404.db2.gz BLAONTIGXMZLHR-SFHVURJKSA-N 2 1 315.461 2.856 20 30 DFEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172646685 145310824 /nfs/dbraw/zinc/31/08/24/145310824.db2.gz QAIVLJNGFNBBSN-GOSISDBHSA-N 2 1 313.445 2.745 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245412216 146067574 /nfs/dbraw/zinc/06/75/74/146067574.db2.gz AEPKAULEUBQIDF-MAUKXSAKSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245412216 146067576 /nfs/dbraw/zinc/06/75/76/146067576.db2.gz AEPKAULEUBQIDF-MAUKXSAKSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245412216 146067578 /nfs/dbraw/zinc/06/75/78/146067578.db2.gz AEPKAULEUBQIDF-MAUKXSAKSA-N 2 1 301.434 2.599 20 30 DFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156735 /nfs/dbraw/zinc/15/67/35/158156735.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156737 /nfs/dbraw/zinc/15/67/37/158156737.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027930 158156739 /nfs/dbraw/zinc/15/67/39/158156739.db2.gz PREPRRHQQQCTPF-IEBWSBKVSA-N 2 1 313.445 2.743 20 30 DFEDMP N#Cc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2c1 ZINC000134206194 196370069 /nfs/dbraw/zinc/37/00/69/196370069.db2.gz VKFUXKVJWFQCIM-UHFFFAOYSA-N 2 1 323.444 2.514 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779564 267336669 /nfs/dbraw/zinc/33/66/69/267336669.db2.gz VVKBGMLKUAHCBC-GOSISDBHSA-N 2 1 313.445 2.638 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000130829968 426162534 /nfs/dbraw/zinc/16/25/34/426162534.db2.gz OMPHWRRBBQLHHL-OAHLLOKOSA-N 2 1 304.438 2.542 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136872908 426247409 /nfs/dbraw/zinc/24/74/09/426247409.db2.gz XGXYQBCZRZPDAM-RDJZCZTQSA-N 2 1 302.466 2.601 20 30 DFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000174961178 426271541 /nfs/dbraw/zinc/27/15/41/426271541.db2.gz BZYGBBULAONZMZ-MRXNPFEDSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000174961178 426271543 /nfs/dbraw/zinc/27/15/43/426271543.db2.gz BZYGBBULAONZMZ-MRXNPFEDSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000174961178 426271546 /nfs/dbraw/zinc/27/15/46/426271546.db2.gz BZYGBBULAONZMZ-MRXNPFEDSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000174961178 426271549 /nfs/dbraw/zinc/27/15/49/426271549.db2.gz BZYGBBULAONZMZ-MRXNPFEDSA-N 2 1 301.434 2.601 20 30 DFEDMP CC#CC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000119992630 426304584 /nfs/dbraw/zinc/30/45/84/426304584.db2.gz ZZPYIJLMSGXNLT-UHFFFAOYSA-N 2 1 300.450 2.798 20 30 DFEDMP CC#CC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000119992630 426304586 /nfs/dbraw/zinc/30/45/86/426304586.db2.gz ZZPYIJLMSGXNLT-UHFFFAOYSA-N 2 1 300.450 2.798 20 30 DFEDMP CC#CC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000119992630 426304591 /nfs/dbraw/zinc/30/45/91/426304591.db2.gz ZZPYIJLMSGXNLT-UHFFFAOYSA-N 2 1 300.450 2.798 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597386 426356540 /nfs/dbraw/zinc/35/65/40/426356540.db2.gz RGCKQUNNANOXRM-FUHWJXTLSA-N 2 1 313.445 2.895 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597386 426356543 /nfs/dbraw/zinc/35/65/43/426356543.db2.gz RGCKQUNNANOXRM-FUHWJXTLSA-N 2 1 313.445 2.895 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000264132764 426503014 /nfs/dbraw/zinc/50/30/14/426503014.db2.gz YMIQYCWPIWBNFF-GASCZTMLSA-N 2 1 318.465 2.790 20 30 DFEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000265199321 426594729 /nfs/dbraw/zinc/59/47/29/426594729.db2.gz AKTPARIBJYXMNE-HZPDHXFCSA-N 2 1 309.498 2.532 20 30 DFEDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1C#N ZINC000281852248 426778717 /nfs/dbraw/zinc/77/87/17/426778717.db2.gz ZIZOAWGTFTVAQJ-INIZCTEOSA-N 2 1 301.434 2.777 20 30 DFEDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC000281852248 426778720 /nfs/dbraw/zinc/77/87/20/426778720.db2.gz ZIZOAWGTFTVAQJ-INIZCTEOSA-N 2 1 301.434 2.777 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000247296074 426924027 /nfs/dbraw/zinc/92/40/27/426924027.db2.gz UNWVOXKHDMNLQF-LPHOPBHVSA-N 2 1 315.461 2.785 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239968 426859686 /nfs/dbraw/zinc/85/96/86/426859686.db2.gz JADFHMBGUQISNS-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239968 426859691 /nfs/dbraw/zinc/85/96/91/426859691.db2.gz JADFHMBGUQISNS-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239968 426859696 /nfs/dbraw/zinc/85/96/96/426859696.db2.gz JADFHMBGUQISNS-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239968 426859701 /nfs/dbraw/zinc/85/97/01/426859701.db2.gz JADFHMBGUQISNS-YOEHRIQHSA-N 2 1 301.434 2.729 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000189976908 426991988 /nfs/dbraw/zinc/99/19/88/426991988.db2.gz RDSCGYZILKFRKX-MRXNPFEDSA-N 2 1 314.477 2.577 20 30 DFEDMP O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000328945491 427016319 /nfs/dbraw/zinc/01/63/19/427016319.db2.gz MCQHSZFSLINYSQ-ZIAGYGMSSA-N 2 1 316.449 2.878 20 30 DFEDMP O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000328945491 427016326 /nfs/dbraw/zinc/01/63/26/427016326.db2.gz MCQHSZFSLINYSQ-ZIAGYGMSSA-N 2 1 316.449 2.878 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000182187818 427022401 /nfs/dbraw/zinc/02/24/01/427022401.db2.gz AGNGXODLOFIODO-UHFFFAOYSA-N 2 1 320.433 2.540 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1F ZINC000190870284 427192364 /nfs/dbraw/zinc/19/23/64/427192364.db2.gz SKCPSLRJCBBUEQ-UHFFFAOYSA-N 2 1 323.375 2.820 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297769351 427450902 /nfs/dbraw/zinc/45/09/02/427450902.db2.gz PCYLZJRABQJNGU-QGZVFWFLSA-N 2 1 316.445 2.629 20 30 DFEDMP CCCCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000264087022 427654723 /nfs/dbraw/zinc/65/47/23/427654723.db2.gz JUYCZBXIVXFLFO-UHFFFAOYSA-N 2 1 314.437 2.560 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264115416 427661882 /nfs/dbraw/zinc/66/18/82/427661882.db2.gz PVIYYPAOKQJDJZ-AWEZNQCLSA-N 2 1 304.438 2.686 20 30 DFEDMP COc1cccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCC2)c1 ZINC000264120064 427664195 /nfs/dbraw/zinc/66/41/95/427664195.db2.gz QVVAZQWRPCJZTH-MRXNPFEDSA-N 2 1 318.465 2.535 20 30 DFEDMP C[N@@H+]1CCCC12CC[NH+](CCCOc1cccc(C#N)c1)CC2 ZINC000377195800 428080361 /nfs/dbraw/zinc/08/03/61/428080361.db2.gz GKCPZKQZERHREG-UHFFFAOYSA-N 2 1 313.445 2.887 20 30 DFEDMP C[N@H+]1CCCC12CC[NH+](CCCOc1cccc(C#N)c1)CC2 ZINC000377195800 428080366 /nfs/dbraw/zinc/08/03/66/428080366.db2.gz GKCPZKQZERHREG-UHFFFAOYSA-N 2 1 313.445 2.887 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414126551 428213542 /nfs/dbraw/zinc/21/35/42/428213542.db2.gz RMIFXZVULHCVOB-OAHLLOKOSA-N 2 1 303.450 2.651 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347099953 428445125 /nfs/dbraw/zinc/44/51/25/428445125.db2.gz JOZBQPDXGZJYDZ-AWEZNQCLSA-N 2 1 304.434 2.561 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347099953 428445129 /nfs/dbraw/zinc/44/51/29/428445129.db2.gz JOZBQPDXGZJYDZ-AWEZNQCLSA-N 2 1 304.434 2.561 20 30 DFEDMP COc1ccc([C@@H](CCC#N)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373027554 428511739 /nfs/dbraw/zinc/51/17/39/428511739.db2.gz FPOITBLAMNLCGD-NVXWUHKLSA-N 2 1 310.401 2.841 20 30 DFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000362033272 428610713 /nfs/dbraw/zinc/61/07/13/428610713.db2.gz TVLYIRKKWOSGOP-NNIGNNQHSA-N 2 1 319.493 2.936 20 30 DFEDMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000362033272 428610717 /nfs/dbraw/zinc/61/07/17/428610717.db2.gz TVLYIRKKWOSGOP-NNIGNNQHSA-N 2 1 319.493 2.936 20 30 DFEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000373615684 428620946 /nfs/dbraw/zinc/62/09/46/428620946.db2.gz LPHXFGBDSBEFEP-MJGOQNOKSA-N 2 1 308.429 2.679 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000363167004 428874144 /nfs/dbraw/zinc/87/41/44/428874144.db2.gz BOULIUIHRXLMNZ-IXDOHACOSA-N 2 1 307.482 2.795 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354327604 428968929 /nfs/dbraw/zinc/96/89/29/428968929.db2.gz HNGXYVVXXSPQKO-ZMSDIMECSA-N 2 1 308.466 2.594 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000453284676 429148301 /nfs/dbraw/zinc/14/83/01/429148301.db2.gz BJLHRNJSWOQJAL-VSZNYVQBSA-N 2 1 307.482 2.795 20 30 DFEDMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442776840 429234731 /nfs/dbraw/zinc/23/47/31/429234731.db2.gz DUWFJOYSBAWBGK-QRQLOZEOSA-N 2 1 315.461 2.978 20 30 DFEDMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442776840 429234735 /nfs/dbraw/zinc/23/47/35/429234735.db2.gz DUWFJOYSBAWBGK-QRQLOZEOSA-N 2 1 315.461 2.978 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CCO1 ZINC000442798282 429237523 /nfs/dbraw/zinc/23/75/23/429237523.db2.gz YJUABHKVVWFSQO-GPMSIDNRSA-N 2 1 313.445 2.689 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CCO1 ZINC000442798282 429237525 /nfs/dbraw/zinc/23/75/25/429237525.db2.gz YJUABHKVVWFSQO-GPMSIDNRSA-N 2 1 313.445 2.689 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000491072039 429323190 /nfs/dbraw/zinc/32/31/90/429323190.db2.gz PHUJIDGHMLKEPG-CQSZACIVSA-N 2 1 313.445 2.522 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000491072039 429323195 /nfs/dbraw/zinc/32/31/95/429323195.db2.gz PHUJIDGHMLKEPG-CQSZACIVSA-N 2 1 313.445 2.522 20 30 DFEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449103604 429333027 /nfs/dbraw/zinc/33/30/27/429333027.db2.gz RANFZXYNQVBILS-OQSMONGASA-N 2 1 307.482 2.938 20 30 DFEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449122063 429339271 /nfs/dbraw/zinc/33/92/71/429339271.db2.gz JZKZRZIWTSGQMI-MRXNPFEDSA-N 2 1 309.498 2.654 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521204 429441390 /nfs/dbraw/zinc/44/13/90/429441390.db2.gz RCZOOMPTGCDGJX-KANFNMMFSA-N 2 1 300.446 2.973 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449521204 429441392 /nfs/dbraw/zinc/44/13/92/429441392.db2.gz RCZOOMPTGCDGJX-KANFNMMFSA-N 2 1 300.446 2.973 20 30 DFEDMP C=C(C)C[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462826699 429707092 /nfs/dbraw/zinc/70/70/92/429707092.db2.gz RTEXKLZOGLEUTJ-UHFFFAOYSA-N 2 1 317.481 3.118 20 30 DFEDMP C[N@H+](Cc1ccc(C#N)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368813978 429895823 /nfs/dbraw/zinc/89/58/23/429895823.db2.gz MZXAFVUHWADIHB-UHFFFAOYSA-N 2 1 310.401 2.895 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000369343476 429926080 /nfs/dbraw/zinc/92/60/80/429926080.db2.gz NOROFNKFSNJGNM-ATZDWAIDSA-N 2 1 313.445 2.537 20 30 DFEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662696182 431164804 /nfs/dbraw/zinc/16/48/04/431164804.db2.gz VXDWFUQRSIHJPD-FCEWJHQRSA-N 2 1 321.509 2.557 20 30 DFEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)oc2ccccc21 ZINC000184824468 335090099 /nfs/dbraw/zinc/09/00/99/335090099.db2.gz LKCCQMQSIWYWFZ-AWEZNQCLSA-N 2 1 314.433 2.630 20 30 DFEDMP C[C@H](CC[NH2+]Cc1cnc2ccc(C#N)cn12)[NH+]1CCCCC1 ZINC000184330899 316164790 /nfs/dbraw/zinc/16/47/90/316164790.db2.gz HJIXWZVRXCEFAZ-OAHLLOKOSA-N 2 1 311.433 2.560 20 30 DFEDMP C=CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150892023 332197938 /nfs/dbraw/zinc/19/79/38/332197938.db2.gz AAONBVRFMDJDOX-UHFFFAOYSA-N 2 1 309.498 2.654 20 30 DFEDMP C[N@@H+](CCCC#N)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862834 332255089 /nfs/dbraw/zinc/25/50/89/332255089.db2.gz JOYKAPLKYUJDNN-IBGZPJMESA-N 2 1 315.461 2.668 20 30 DFEDMP C[C@@H](CCNC(=[NH2+])Nc1ccccn1)[N@@H+](C)Cc1ccccc1 ZINC000176968761 333123008 /nfs/dbraw/zinc/12/30/08/333123008.db2.gz OYVUXBASYHMBNM-HNNXBMFYSA-N 2 1 311.433 2.719 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180996520 333166583 /nfs/dbraw/zinc/16/65/83/333166583.db2.gz ZIYRDENRZUVVPK-GOSISDBHSA-N 2 1 315.461 2.673 20 30 DFEDMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OCCCC#N ZINC000299451786 334255463 /nfs/dbraw/zinc/25/54/63/334255463.db2.gz RALUGRSAOXNGES-HNNXBMFYSA-N 2 1 319.449 2.808 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415118141 334283864 /nfs/dbraw/zinc/28/38/64/334283864.db2.gz DRRXMKWPPYDKJU-ZBFHGGJFSA-N 2 1 304.434 2.677 20 30 DFEDMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000344624489 335265010 /nfs/dbraw/zinc/26/50/10/335265010.db2.gz IXPZMYNDYAUADZ-DOTOQJQBSA-N 2 1 301.434 2.941 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000344683890 335266383 /nfs/dbraw/zinc/26/63/83/335266383.db2.gz OKJKFHIDQBMEAE-BBRMVZONSA-N 2 1 304.434 2.702 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000344683890 335266384 /nfs/dbraw/zinc/26/63/84/335266384.db2.gz OKJKFHIDQBMEAE-BBRMVZONSA-N 2 1 304.434 2.702 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000377539479 337054629 /nfs/dbraw/zinc/05/46/29/337054629.db2.gz DWBKXGWSLNOBPU-LJQANCHMSA-N 2 1 320.440 2.833 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000377650714 337057462 /nfs/dbraw/zinc/05/74/62/337057462.db2.gz NTNWHCTXHDRLSI-LSTHTHJFSA-N 2 1 312.457 2.647 20 30 DFEDMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)[NH+]1CCCC1 ZINC000378451207 337073091 /nfs/dbraw/zinc/07/30/91/337073091.db2.gz DLMRHLCMIHBWGD-JKEDJMADSA-N 2 1 319.493 2.936 20 30 DFEDMP C=C(Cl)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175797491 337149218 /nfs/dbraw/zinc/14/92/18/337149218.db2.gz RVAIPUJPGKYABC-HUUCEWRRSA-N 2 1 300.874 2.950 20 30 DFEDMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435445116 338240370 /nfs/dbraw/zinc/24/03/70/338240370.db2.gz CNQFIKIZAXDIMB-INIZCTEOSA-N 2 1 304.434 2.834 20 30 DFEDMP C=CCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC000459574216 339036858 /nfs/dbraw/zinc/03/68/58/339036858.db2.gz RXUNADSMQLKKPS-QGZVFWFLSA-N 2 1 317.433 2.538 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591906703 398350127 /nfs/dbraw/zinc/35/01/27/398350127.db2.gz REHVONVJUXXMQI-WBVHZDCISA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906703 398350129 /nfs/dbraw/zinc/35/01/29/398350129.db2.gz REHVONVJUXXMQI-WBVHZDCISA-N 2 1 318.465 2.642 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906703 398350131 /nfs/dbraw/zinc/35/01/31/398350131.db2.gz REHVONVJUXXMQI-WBVHZDCISA-N 2 1 318.465 2.642 20 30 DFEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000066243138 398364004 /nfs/dbraw/zinc/36/40/04/398364004.db2.gz DFGIUYIKWXNLBW-AWEZNQCLSA-N 2 1 300.450 2.628 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000066243142 398364060 /nfs/dbraw/zinc/36/40/60/398364060.db2.gz KMTQNTQVKBPFMH-HNNXBMFYSA-N 2 1 300.450 2.509 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775287 199350567 /nfs/dbraw/zinc/35/05/67/199350567.db2.gz DKNACXOQAXRCPK-RDJZCZTQSA-N 2 1 313.445 2.710 20 30 DFEDMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604852 398638484 /nfs/dbraw/zinc/63/84/84/398638484.db2.gz QERBNTGENVGILA-YJBOKZPZSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604852 398638488 /nfs/dbraw/zinc/63/84/88/398638488.db2.gz QERBNTGENVGILA-YJBOKZPZSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604852 398638491 /nfs/dbraw/zinc/63/84/91/398638491.db2.gz QERBNTGENVGILA-YJBOKZPZSA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000590604852 398638494 /nfs/dbraw/zinc/63/84/94/398638494.db2.gz QERBNTGENVGILA-YJBOKZPZSA-N 2 1 303.450 2.642 20 30 DFEDMP N#Cc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873627 198263393 /nfs/dbraw/zinc/26/33/93/198263393.db2.gz AVIAHENURKUZGY-GOSISDBHSA-N 2 1 313.445 2.745 20 30 DFEDMP N#Cc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873627 198263394 /nfs/dbraw/zinc/26/33/94/198263394.db2.gz AVIAHENURKUZGY-GOSISDBHSA-N 2 1 313.445 2.745 20 30 DFEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000081568656 192293063 /nfs/dbraw/zinc/29/30/63/192293063.db2.gz PLEYZLSXWWIBDT-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000081568656 192293065 /nfs/dbraw/zinc/29/30/65/192293065.db2.gz PLEYZLSXWWIBDT-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000081568656 192293067 /nfs/dbraw/zinc/29/30/67/192293067.db2.gz PLEYZLSXWWIBDT-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000081568656 192293070 /nfs/dbraw/zinc/29/30/70/192293070.db2.gz PLEYZLSXWWIBDT-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000598590003 398837141 /nfs/dbraw/zinc/83/71/41/398837141.db2.gz NMYRGJMROIPSKD-QZTJIDSGSA-N 2 1 321.509 2.875 20 30 DFEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000598705118 398858483 /nfs/dbraw/zinc/85/84/83/398858483.db2.gz YZVJRZISZDNVTR-GOSISDBHSA-N 2 1 315.461 2.541 20 30 DFEDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271989261 209363669 /nfs/dbraw/zinc/36/36/69/209363669.db2.gz YSVPXVHFBYBZPZ-CQSZACIVSA-N 2 1 319.424 2.849 20 30 DFEDMP N#Cc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600721271 399124543 /nfs/dbraw/zinc/12/45/43/399124543.db2.gz KQKWDZRXVAVUFW-HUUCEWRRSA-N 2 1 311.351 2.560 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907514 399130408 /nfs/dbraw/zinc/13/04/08/399130408.db2.gz WNEIDRSCZXYPRX-QAPCUYQASA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907514 399130409 /nfs/dbraw/zinc/13/04/09/399130409.db2.gz WNEIDRSCZXYPRX-QAPCUYQASA-N 2 1 301.434 2.662 20 30 DFEDMP CCC[NH+]1CCC([N@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000109786139 194284286 /nfs/dbraw/zinc/28/42/86/194284286.db2.gz YELNNLOLIAITTL-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000109786139 194284289 /nfs/dbraw/zinc/28/42/89/194284289.db2.gz YELNNLOLIAITTL-UHFFFAOYSA-N 2 1 301.434 2.743 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000602504399 399462522 /nfs/dbraw/zinc/46/25/22/399462522.db2.gz QOWQRSXXSWRNEY-HOTGVXAUSA-N 2 1 320.506 2.566 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515474 399465488 /nfs/dbraw/zinc/46/54/88/399465488.db2.gz WBAICLLVCLKQCS-IYBDPMFKSA-N 2 1 300.450 2.801 20 30 DFEDMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C2)nc(C)[nH+]1 ZINC000602540026 399470644 /nfs/dbraw/zinc/47/06/44/399470644.db2.gz IRXJMMBUWABXKE-XJKSGUPXSA-N 2 1 301.438 2.592 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+]C[C@H](C)CCC#N)C2)nc(C)[nH+]1 ZINC000602540024 399470722 /nfs/dbraw/zinc/47/07/22/399470722.db2.gz IRXJMMBUWABXKE-CJNGLKHVSA-N 2 1 301.438 2.592 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715909 399535614 /nfs/dbraw/zinc/53/56/14/399535614.db2.gz PVGZMACMUCKONQ-FUHWJXTLSA-N 2 1 319.493 2.797 20 30 DFEDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000603432602 399775454 /nfs/dbraw/zinc/77/54/54/399775454.db2.gz NHBALOPXCGPAMQ-GOSISDBHSA-N 2 1 317.477 2.670 20 30 DFEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1 ZINC000289951911 335067023 /nfs/dbraw/zinc/06/70/23/335067023.db2.gz AWEQPSJSAYXKBS-PXNSSMCTSA-N 2 1 314.473 2.895 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245412217 146066956 /nfs/dbraw/zinc/06/69/56/146066956.db2.gz AEPKAULEUBQIDF-YJBOKZPZSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245412217 146066957 /nfs/dbraw/zinc/06/69/57/146066957.db2.gz AEPKAULEUBQIDF-YJBOKZPZSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245412217 146066958 /nfs/dbraw/zinc/06/69/58/146066958.db2.gz AEPKAULEUBQIDF-YJBOKZPZSA-N 2 1 301.434 2.599 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723636 544102369 /nfs/dbraw/zinc/10/23/69/544102369.db2.gz DMOAWNHLAMIJAO-MOPGFXCFSA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723636 544102373 /nfs/dbraw/zinc/10/23/73/544102373.db2.gz DMOAWNHLAMIJAO-MOPGFXCFSA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723636 544102377 /nfs/dbraw/zinc/10/23/77/544102377.db2.gz DMOAWNHLAMIJAO-MOPGFXCFSA-N 2 1 300.446 2.521 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201808 266154797 /nfs/dbraw/zinc/15/47/97/266154797.db2.gz YAQARPZMVGIWMG-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201808 266154799 /nfs/dbraw/zinc/15/47/99/266154799.db2.gz YAQARPZMVGIWMG-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201808 266154801 /nfs/dbraw/zinc/15/48/01/266154801.db2.gz YAQARPZMVGIWMG-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000340201808 266154804 /nfs/dbraw/zinc/15/48/04/266154804.db2.gz YAQARPZMVGIWMG-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488440664 267059224 /nfs/dbraw/zinc/05/92/24/267059224.db2.gz BSTNECCSRDSRJW-IBGZPJMESA-N 2 1 315.461 2.799 20 30 DFEDMP Cc1nccn1CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000125124442 425954629 /nfs/dbraw/zinc/95/46/29/425954629.db2.gz DOMPYGGFQZPEEX-UHFFFAOYSA-N 2 1 323.444 2.666 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000125124442 425954630 /nfs/dbraw/zinc/95/46/30/425954630.db2.gz DOMPYGGFQZPEEX-UHFFFAOYSA-N 2 1 323.444 2.666 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135120210 426206309 /nfs/dbraw/zinc/20/63/09/426206309.db2.gz YJIALBMJUSELIS-INIZCTEOSA-N 2 1 301.434 2.731 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)Cc2ccccc2)CC1 ZINC000152997909 426364622 /nfs/dbraw/zinc/36/46/22/426364622.db2.gz RVOJPBZSBHVNND-LJQANCHMSA-N 2 1 302.462 2.874 20 30 DFEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123183587 426419054 /nfs/dbraw/zinc/41/90/54/426419054.db2.gz IELIYRPHWKHAPY-HNNXBMFYSA-N 2 1 311.433 2.560 20 30 DFEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123183587 426419055 /nfs/dbraw/zinc/41/90/55/426419055.db2.gz IELIYRPHWKHAPY-HNNXBMFYSA-N 2 1 311.433 2.560 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239959 426861099 /nfs/dbraw/zinc/86/10/99/426861099.db2.gz JADFHMBGUQISNS-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239959 426861106 /nfs/dbraw/zinc/86/11/06/426861106.db2.gz JADFHMBGUQISNS-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239959 426861111 /nfs/dbraw/zinc/86/11/11/426861111.db2.gz JADFHMBGUQISNS-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC000282239959 426861116 /nfs/dbraw/zinc/86/11/16/426861116.db2.gz JADFHMBGUQISNS-PBHICJAKSA-N 2 1 301.434 2.729 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000182222296 427032781 /nfs/dbraw/zinc/03/27/81/427032781.db2.gz ZBWHCGMLDQQNQD-UHFFFAOYSA-N 2 1 320.506 2.742 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000329313241 427087701 /nfs/dbraw/zinc/08/77/01/427087701.db2.gz CFOBNTAACSXSAH-HUUCEWRRSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000329313241 427087709 /nfs/dbraw/zinc/08/77/09/427087709.db2.gz CFOBNTAACSXSAH-HUUCEWRRSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000329313241 427087717 /nfs/dbraw/zinc/08/77/17/427087717.db2.gz CFOBNTAACSXSAH-HUUCEWRRSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000329313241 427087724 /nfs/dbraw/zinc/08/77/24/427087724.db2.gz CFOBNTAACSXSAH-HUUCEWRRSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000329313241 427087730 /nfs/dbraw/zinc/08/77/30/427087730.db2.gz CFOBNTAACSXSAH-HUUCEWRRSA-N 2 1 319.453 2.681 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)n1 ZINC000191304899 427312871 /nfs/dbraw/zinc/31/28/71/427312871.db2.gz RMSDPYBCAYPJFF-HNNXBMFYSA-N 2 1 309.417 2.534 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)[nH+]1 ZINC000191304899 427312885 /nfs/dbraw/zinc/31/28/85/427312885.db2.gz RMSDPYBCAYPJFF-HNNXBMFYSA-N 2 1 309.417 2.534 20 30 DFEDMP CC[NH+]=C(NCc1ccsc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261959907 427348096 /nfs/dbraw/zinc/34/80/96/427348096.db2.gz JXHILACDXXRCLL-ZFWWWQNUSA-N 2 1 308.495 2.532 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccn1 ZINC000262694100 427368420 /nfs/dbraw/zinc/36/84/20/427368420.db2.gz DBDCIQHKWISYBN-HNNXBMFYSA-N 2 1 301.438 2.605 20 30 DFEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278999300 427526226 /nfs/dbraw/zinc/52/62/26/427526226.db2.gz RDIIZDDXPKJZDP-HOTGVXAUSA-N 2 1 309.413 2.808 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)CCCC2(C#N)CCOCC2)CC1 ZINC000337197756 427813499 /nfs/dbraw/zinc/81/34/99/427813499.db2.gz XLYYMMLYDXMGDD-UHFFFAOYSA-N 2 1 307.482 2.893 20 30 DFEDMP C=CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccco1 ZINC000356099105 428021721 /nfs/dbraw/zinc/02/17/21/428021721.db2.gz WOMKYVDMNUPLPX-QGZVFWFLSA-N 2 1 305.466 2.904 20 30 DFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000341376275 428051749 /nfs/dbraw/zinc/05/17/49/428051749.db2.gz YAWLHVYRVYACLJ-SCTDSRPQSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000341376275 428051753 /nfs/dbraw/zinc/05/17/53/428051753.db2.gz YAWLHVYRVYACLJ-SCTDSRPQSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346850787 428345677 /nfs/dbraw/zinc/34/56/77/428345677.db2.gz IBNQAINRRZGESZ-BBWFWOEESA-N 2 1 316.445 2.819 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348133832 428638552 /nfs/dbraw/zinc/63/85/52/428638552.db2.gz CSJFWKIIJAMVFY-NZSAHSFTSA-N 2 1 302.462 2.671 20 30 DFEDMP CC[NH+]1CCC(N(C[C@@H](O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000362240949 428672728 /nfs/dbraw/zinc/67/27/28/428672728.db2.gz XBBFOHGOOFLVLN-LJQANCHMSA-N 2 1 313.445 2.540 20 30 DFEDMP CC[NH+]1CCC(N(C[C@H](O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000362240948 428673086 /nfs/dbraw/zinc/67/30/86/428673086.db2.gz XBBFOHGOOFLVLN-IBGZPJMESA-N 2 1 313.445 2.540 20 30 DFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411237588 428764629 /nfs/dbraw/zinc/76/46/29/428764629.db2.gz BBGNPFDRPPIGFT-QGZVFWFLSA-N 2 1 321.509 2.875 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000354107133 428866237 /nfs/dbraw/zinc/86/62/37/428866237.db2.gz OFHXGZMGLJYKAL-CQSZACIVSA-N 2 1 307.463 2.552 20 30 DFEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422983202 429053360 /nfs/dbraw/zinc/05/33/60/429053360.db2.gz YWZBPIHHYKVNPL-GUDVDZBRSA-N 3 1 305.510 2.927 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887104 429239170 /nfs/dbraw/zinc/23/91/70/429239170.db2.gz WPSZQCKYDLEEGQ-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887104 429239173 /nfs/dbraw/zinc/23/91/73/429239173.db2.gz WPSZQCKYDLEEGQ-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887104 429239174 /nfs/dbraw/zinc/23/91/74/429239174.db2.gz WPSZQCKYDLEEGQ-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000442887104 429239179 /nfs/dbraw/zinc/23/91/79/429239179.db2.gz WPSZQCKYDLEEGQ-PBHICJAKSA-N 2 1 301.434 2.871 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000491119267 429326328 /nfs/dbraw/zinc/32/63/28/429326328.db2.gz HWZYZEBVCHNIQA-HKUYNNGSSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000491119267 429326331 /nfs/dbraw/zinc/32/63/31/429326331.db2.gz HWZYZEBVCHNIQA-HKUYNNGSSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000491119269 429326804 /nfs/dbraw/zinc/32/68/04/429326804.db2.gz HWZYZEBVCHNIQA-MJGOQNOKSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000491119269 429326806 /nfs/dbraw/zinc/32/68/06/429326806.db2.gz HWZYZEBVCHNIQA-MJGOQNOKSA-N 2 1 300.446 2.699 20 30 DFEDMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000365623399 429352059 /nfs/dbraw/zinc/35/20/59/429352059.db2.gz KFUHUSFGJSQIDZ-MRXNPFEDSA-N 2 1 310.401 2.550 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000369191809 429918987 /nfs/dbraw/zinc/91/89/87/429918987.db2.gz BWOWVBMZXJPQMX-KRWDZBQOSA-N 2 1 316.449 2.757 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000369191809 429918988 /nfs/dbraw/zinc/91/89/88/429918988.db2.gz BWOWVBMZXJPQMX-KRWDZBQOSA-N 2 1 316.449 2.757 20 30 DFEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOCCC#N)C2)s1 ZINC000568752609 430388221 /nfs/dbraw/zinc/38/82/21/430388221.db2.gz GUZJSYQYBRHAFI-INIZCTEOSA-N 2 1 321.490 2.741 20 30 DFEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOCCC#N)C2)s1 ZINC000568752609 430388225 /nfs/dbraw/zinc/38/82/25/430388225.db2.gz GUZJSYQYBRHAFI-INIZCTEOSA-N 2 1 321.490 2.741 20 30 DFEDMP CC#CC[C@@H](CO)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000641767272 430467542 /nfs/dbraw/zinc/46/75/42/430467542.db2.gz ICEFQUIVZXVHEY-SFHVURJKSA-N 2 1 302.462 2.509 20 30 DFEDMP CC#CC[C@@H](CO)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000641767272 430467547 /nfs/dbraw/zinc/46/75/47/430467547.db2.gz ICEFQUIVZXVHEY-SFHVURJKSA-N 2 1 302.462 2.509 20 30 DFEDMP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641804822 430478813 /nfs/dbraw/zinc/47/88/13/430478813.db2.gz KFIOSCCCQQKWMP-GJZGRUSLSA-N 2 1 319.474 2.619 20 30 DFEDMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C#N)CC2)CC1 ZINC000572194746 430675856 /nfs/dbraw/zinc/67/58/56/430675856.db2.gz CMMLNRYKSSOVDK-UHFFFAOYSA-N 2 1 312.461 2.612 20 30 DFEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655767083 431126930 /nfs/dbraw/zinc/12/69/30/431126930.db2.gz PFXPVWXCVUWICD-GOSISDBHSA-N 2 1 316.445 2.594 20 30 DFEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662696184 431164960 /nfs/dbraw/zinc/16/49/60/431164960.db2.gz VXDWFUQRSIHJPD-JTDSTZFVSA-N 2 1 321.509 2.557 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1O ZINC000666997003 431437568 /nfs/dbraw/zinc/43/75/68/431437568.db2.gz QWYBWXLFBYMYEE-MRXNPFEDSA-N 2 1 316.445 2.894 20 30 DFEDMP C=CCCn1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000653613938 431460145 /nfs/dbraw/zinc/46/01/45/431460145.db2.gz GZQKDJSDHXSDBO-HOTGVXAUSA-N 2 1 317.481 2.597 20 30 DFEDMP Cc1cnccc1OC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000517387410 300395269 /nfs/dbraw/zinc/39/52/69/300395269.db2.gz FOLXWACYBWMSEN-UHFFFAOYSA-N 2 1 308.385 2.700 20 30 DFEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H](C#N)C3)CC2)oc1C ZINC000562523437 332600389 /nfs/dbraw/zinc/60/03/89/332600389.db2.gz YJQIFSKKBUREDJ-SJORKVTESA-N 2 1 316.449 2.785 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000295102926 335132083 /nfs/dbraw/zinc/13/20/83/335132083.db2.gz WGIHDKQVUSOHGZ-SFHVURJKSA-N 2 1 306.425 2.838 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000295102926 335132085 /nfs/dbraw/zinc/13/20/85/335132085.db2.gz WGIHDKQVUSOHGZ-SFHVURJKSA-N 2 1 306.425 2.838 20 30 DFEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000267457927 333983924 /nfs/dbraw/zinc/98/39/24/333983924.db2.gz UEFJGYBBRVNRQF-HNNXBMFYSA-N 2 1 318.465 2.505 20 30 DFEDMP C=C(C)COc1cc(CN[C@@H]2CC[N@H+](CC)C2)ccc1OC ZINC000414543586 334014158 /nfs/dbraw/zinc/01/41/58/334014158.db2.gz OAEHMMAMHPKKIH-MRXNPFEDSA-N 2 1 304.434 2.834 20 30 DFEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684270 334068406 /nfs/dbraw/zinc/06/84/06/334068406.db2.gz CYRLGOGFRWGYIE-GDBMZVCRSA-N 2 1 303.406 2.971 20 30 DFEDMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCC#N)cc1 ZINC000278955867 334104229 /nfs/dbraw/zinc/10/42/29/334104229.db2.gz LULNVBYEDMTZNQ-GJZGRUSLSA-N 2 1 310.401 2.699 20 30 DFEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288793948 334162100 /nfs/dbraw/zinc/16/21/00/334162100.db2.gz YCZJMIVSEQIIPC-UHFFFAOYSA-N 2 1 307.348 2.677 20 30 DFEDMP CCC[N@@H+](CCCC(C)(C)C#N)CCN1CC[NH+](CC)CC1 ZINC000344160127 335226146 /nfs/dbraw/zinc/22/61/46/335226146.db2.gz XMXWJVOITZSENG-UHFFFAOYSA-N 2 1 308.514 2.666 20 30 DFEDMP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000350454821 335754624 /nfs/dbraw/zinc/75/46/24/335754624.db2.gz FYVSJSRKXRVINZ-FUHWJXTLSA-N 2 1 312.461 2.610 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)C2 ZINC000329846190 336088927 /nfs/dbraw/zinc/08/89/27/336088927.db2.gz OURVTZYKWUSSJK-HIFRSBDPSA-N 2 1 304.438 2.585 20 30 DFEDMP O=C(NC[C@@H]1CCc2nccn2C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329960518 336100192 /nfs/dbraw/zinc/10/01/92/336100192.db2.gz RDRWRXLZMYGWQK-GOEBONIOSA-N 2 1 316.449 2.809 20 30 DFEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329960518 336100194 /nfs/dbraw/zinc/10/01/94/336100194.db2.gz RDRWRXLZMYGWQK-GOEBONIOSA-N 2 1 316.449 2.809 20 30 DFEDMP C#CCOc1ccccc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376966347 337044406 /nfs/dbraw/zinc/04/44/06/337044406.db2.gz FWSWNBHCPRGOFX-INIZCTEOSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376966347 337044407 /nfs/dbraw/zinc/04/44/07/337044407.db2.gz FWSWNBHCPRGOFX-INIZCTEOSA-N 2 1 309.413 2.590 20 30 DFEDMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)C1CCCC1 ZINC000378457804 337073367 /nfs/dbraw/zinc/07/33/67/337073367.db2.gz RDEBXABTOVEIKR-XDNAFOTISA-N 2 1 305.466 2.690 20 30 DFEDMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)C1CCCC1 ZINC000378457804 337073368 /nfs/dbraw/zinc/07/33/68/337073368.db2.gz RDEBXABTOVEIKR-XDNAFOTISA-N 2 1 305.466 2.690 20 30 DFEDMP Cc1cccc(NC[C@H]2CC[N@H+](CCCSCC#N)C2)[nH+]1 ZINC000173897382 337138857 /nfs/dbraw/zinc/13/88/57/337138857.db2.gz AGWGTUHKPFFYHP-OAHLLOKOSA-N 2 1 304.463 2.771 20 30 DFEDMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCSCC#N)C2)[nH+]1 ZINC000173897382 337138858 /nfs/dbraw/zinc/13/88/58/337138858.db2.gz AGWGTUHKPFFYHP-OAHLLOKOSA-N 2 1 304.463 2.771 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000174380078 337141373 /nfs/dbraw/zinc/14/13/73/337141373.db2.gz LULVPVKHCGURED-UHFFFAOYSA-N 2 1 307.482 2.941 20 30 DFEDMP C=C(C)COc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OC ZINC000516089496 338004296 /nfs/dbraw/zinc/00/42/96/338004296.db2.gz YPIOMXFPQAIGBK-UHFFFAOYSA-N 2 1 304.434 2.836 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437574829 338313912 /nfs/dbraw/zinc/31/39/12/338313912.db2.gz CAXVSCIJKNRZEG-LJQANCHMSA-N 2 1 318.436 2.610 20 30 DFEDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000331952653 533956633 /nfs/dbraw/zinc/95/66/33/533956633.db2.gz RDMKIXYHHIUUJW-RDTXWAMCSA-N 2 1 323.444 2.531 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645542 214300143 /nfs/dbraw/zinc/30/01/43/214300143.db2.gz SLVIBUSUDLPUEN-HUUCEWRRSA-N 2 1 319.424 2.849 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000278645542 214300145 /nfs/dbraw/zinc/30/01/45/214300145.db2.gz SLVIBUSUDLPUEN-HUUCEWRRSA-N 2 1 319.424 2.849 20 30 DFEDMP C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727053 398442962 /nfs/dbraw/zinc/44/29/62/398442962.db2.gz BAAXKFZNVYSLTL-FUHWJXTLSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727053 398442965 /nfs/dbraw/zinc/44/29/65/398442965.db2.gz BAAXKFZNVYSLTL-FUHWJXTLSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@@H](CCC#N)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000585727053 398442970 /nfs/dbraw/zinc/44/29/70/398442970.db2.gz BAAXKFZNVYSLTL-FUHWJXTLSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@@H](CCC#N)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000585727053 398442974 /nfs/dbraw/zinc/44/29/74/398442974.db2.gz BAAXKFZNVYSLTL-FUHWJXTLSA-N 2 1 300.450 2.775 20 30 DFEDMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597133699 398573342 /nfs/dbraw/zinc/57/33/42/398573342.db2.gz WIAVSXFYCIJGKH-INIZCTEOSA-N 2 1 306.413 2.965 20 30 DFEDMP C=CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754096 398582918 /nfs/dbraw/zinc/58/29/18/398582918.db2.gz CONLPUGZSQFBNG-UHFFFAOYSA-N 2 1 315.417 2.945 20 30 DFEDMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604850 398638184 /nfs/dbraw/zinc/63/81/84/398638184.db2.gz QERBNTGENVGILA-QAPCUYQASA-N 2 1 303.450 2.642 20 30 DFEDMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604850 398638187 /nfs/dbraw/zinc/63/81/87/398638187.db2.gz QERBNTGENVGILA-QAPCUYQASA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604850 398638192 /nfs/dbraw/zinc/63/81/92/398638192.db2.gz QERBNTGENVGILA-QAPCUYQASA-N 2 1 303.450 2.642 20 30 DFEDMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000590604850 398638197 /nfs/dbraw/zinc/63/81/97/398638197.db2.gz QERBNTGENVGILA-QAPCUYQASA-N 2 1 303.450 2.642 20 30 DFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786300 398673593 /nfs/dbraw/zinc/67/35/93/398673593.db2.gz OEUVBHCDHGJKMZ-KRWDZBQOSA-N 2 1 321.509 2.628 20 30 DFEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC3(C#N)CCCCC3)CC2)C1 ZINC000591019582 398715411 /nfs/dbraw/zinc/71/54/11/398715411.db2.gz SMMBZECOIGJKCU-SFHVURJKSA-N 2 1 318.509 2.562 20 30 DFEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC3(C#N)CCCCC3)CC2)C1 ZINC000591019582 398715413 /nfs/dbraw/zinc/71/54/13/398715413.db2.gz SMMBZECOIGJKCU-SFHVURJKSA-N 2 1 318.509 2.562 20 30 DFEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081572190 192294953 /nfs/dbraw/zinc/29/49/53/192294953.db2.gz JKCZAWHKMUEIJH-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081572190 192294957 /nfs/dbraw/zinc/29/49/57/192294957.db2.gz JKCZAWHKMUEIJH-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000081572190 192294960 /nfs/dbraw/zinc/29/49/60/192294960.db2.gz JKCZAWHKMUEIJH-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000081572190 192294962 /nfs/dbraw/zinc/29/49/62/192294962.db2.gz JKCZAWHKMUEIJH-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1C#N ZINC000594735632 398851638 /nfs/dbraw/zinc/85/16/38/398851638.db2.gz LVUQOPNWJJWISD-GOSISDBHSA-N 2 1 313.445 2.778 20 30 DFEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187682683 200144338 /nfs/dbraw/zinc/14/43/38/200144338.db2.gz YMWPYEWUHAMWEM-HOTGVXAUSA-N 2 1 315.461 2.644 20 30 DFEDMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000599334481 398955175 /nfs/dbraw/zinc/95/51/75/398955175.db2.gz FYHZXIKSKMLNRU-GBESFXJTSA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000599334481 398955180 /nfs/dbraw/zinc/95/51/80/398955180.db2.gz FYHZXIKSKMLNRU-GBESFXJTSA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1ccncc1CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292754903 223230548 /nfs/dbraw/zinc/23/05/48/223230548.db2.gz IXKMMNRWFTXEOI-GOSISDBHSA-N 2 1 322.412 2.743 20 30 DFEDMP Cc1ccncc1CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292754905 223230963 /nfs/dbraw/zinc/23/09/63/223230963.db2.gz IXKMMNRWFTXEOI-SFHVURJKSA-N 2 1 322.412 2.743 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764728 399075651 /nfs/dbraw/zinc/07/56/51/399075651.db2.gz MOCKXINYYYLYQO-UHFFFAOYSA-N 2 1 324.428 2.749 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764151 399075868 /nfs/dbraw/zinc/07/58/68/399075868.db2.gz FFVULDPQWHTBER-GOSISDBHSA-N 2 1 313.445 2.638 20 30 DFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600717942 399123172 /nfs/dbraw/zinc/12/31/72/399123172.db2.gz UJGGSZHFDFFJGS-GOSISDBHSA-N 2 1 315.461 2.671 20 30 DFEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000595889036 399124517 /nfs/dbraw/zinc/12/45/17/399124517.db2.gz RAQWSCHSAAJCIO-CORIIIEPSA-N 2 1 309.335 2.746 20 30 DFEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000595889036 399124520 /nfs/dbraw/zinc/12/45/20/399124520.db2.gz RAQWSCHSAAJCIO-CORIIIEPSA-N 2 1 309.335 2.746 20 30 DFEDMP C#CCSCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274896974 212019170 /nfs/dbraw/zinc/01/91/70/212019170.db2.gz KKPABDWSSOYMTJ-AEFFLSMTSA-N 2 1 302.487 2.853 20 30 DFEDMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OCCCC#N ZINC000064614577 399229125 /nfs/dbraw/zinc/22/91/25/399229125.db2.gz RALUGRSAOXNGES-OAHLLOKOSA-N 2 1 319.449 2.808 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000602506916 399463622 /nfs/dbraw/zinc/46/36/22/399463622.db2.gz YFIYYHLHIQNDNN-INIZCTEOSA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000602597952 399487432 /nfs/dbraw/zinc/48/74/32/399487432.db2.gz VHRVHLRHIXPXAH-VQIMIIECSA-N 2 1 315.461 2.673 20 30 DFEDMP N#Cc1cccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1F ZINC000602845375 399598500 /nfs/dbraw/zinc/59/85/00/399598500.db2.gz ITXXRUVFEVJDIQ-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP N#Cc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1F ZINC000602845375 399598506 /nfs/dbraw/zinc/59/85/06/399598506.db2.gz ITXXRUVFEVJDIQ-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341763780 266691214 /nfs/dbraw/zinc/69/12/14/266691214.db2.gz ZBEGHQHJKCTIQH-LJQANCHMSA-N 2 1 313.445 2.636 20 30 DFEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)CC1CCCCC1 ZINC000070015977 425966590 /nfs/dbraw/zinc/96/65/90/425966590.db2.gz PDMXWECSYLITQR-UHFFFAOYSA-N 2 1 321.509 2.655 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000106246053 425971664 /nfs/dbraw/zinc/97/16/64/425971664.db2.gz YMPWSBCDRUUHHT-UHFFFAOYSA-N 2 1 304.434 2.834 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162941286 426084256 /nfs/dbraw/zinc/08/42/56/426084256.db2.gz FZOMGSRRVVAOPK-QGZVFWFLSA-N 2 1 313.445 2.886 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130097301 426146610 /nfs/dbraw/zinc/14/66/10/426146610.db2.gz DDKROTYOFIZECG-GOSISDBHSA-N 2 1 303.450 2.557 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000132233784 426168036 /nfs/dbraw/zinc/16/80/36/426168036.db2.gz XFBXGMXKNJFMCD-UHFFFAOYSA-N 2 1 314.477 2.812 20 30 DFEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000176748758 426409967 /nfs/dbraw/zinc/40/99/67/426409967.db2.gz JGEYZABCLDBHEG-UHFFFAOYSA-N 2 1 301.434 2.537 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000329509264 427130808 /nfs/dbraw/zinc/13/08/08/427130808.db2.gz JPRFNAGGZRERRM-ZFWWWQNUSA-N 2 1 304.438 2.585 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000329509264 427130812 /nfs/dbraw/zinc/13/08/12/427130812.db2.gz JPRFNAGGZRERRM-ZFWWWQNUSA-N 2 1 304.438 2.585 20 30 DFEDMP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262422116 427358785 /nfs/dbraw/zinc/35/87/85/427358785.db2.gz RCHLRYIDMUYIJQ-UKRRQHHQSA-N 2 1 308.495 2.691 20 30 DFEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)N1 ZINC000262673950 427367940 /nfs/dbraw/zinc/36/79/40/427367940.db2.gz SHTJZLPLLKTKPX-XHSDSOJGSA-N 2 1 314.477 2.602 20 30 DFEDMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264090751 427654326 /nfs/dbraw/zinc/65/43/26/427654326.db2.gz KXVDAPGOGNHTRP-ZDUSSCGKSA-N 2 1 308.495 2.663 20 30 DFEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264090164 427655137 /nfs/dbraw/zinc/65/51/37/427655137.db2.gz KVFWGNLGSUKVDU-GOSISDBHSA-N 2 1 316.493 2.501 20 30 DFEDMP C=CCOc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1Cl ZINC000194543348 427747775 /nfs/dbraw/zinc/74/77/75/427747775.db2.gz BWELJIKEURELIZ-GASCZTMLSA-N 2 1 306.837 2.898 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337170004 427808572 /nfs/dbraw/zinc/80/85/72/427808572.db2.gz DVOVVRYRVNTLOC-KRWDZBQOSA-N 2 1 307.482 2.751 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170004 427808573 /nfs/dbraw/zinc/80/85/73/427808573.db2.gz DVOVVRYRVNTLOC-KRWDZBQOSA-N 2 1 307.482 2.751 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337170004 427808574 /nfs/dbraw/zinc/80/85/74/427808574.db2.gz DVOVVRYRVNTLOC-KRWDZBQOSA-N 2 1 307.482 2.751 20 30 DFEDMP C=CCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360244664 428219295 /nfs/dbraw/zinc/21/92/95/428219295.db2.gz DYTJHXHEXSKBFS-MOPGFXCFSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360244664 428219299 /nfs/dbraw/zinc/21/92/99/428219299.db2.gz DYTJHXHEXSKBFS-MOPGFXCFSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341882223 428241124 /nfs/dbraw/zinc/24/11/24/428241124.db2.gz GPHSVDNPFPAGBS-NZSAHSFTSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000341882223 428241128 /nfs/dbraw/zinc/24/11/28/428241128.db2.gz GPHSVDNPFPAGBS-NZSAHSFTSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341873315 428235743 /nfs/dbraw/zinc/23/57/43/428235743.db2.gz IONUXOFRGHKKCB-KRWDZBQOSA-N 2 1 320.452 2.607 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000356835848 428332729 /nfs/dbraw/zinc/33/27/29/428332729.db2.gz CRCXMGXBZYZUIB-LWYYNNOASA-N 2 1 314.473 2.671 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346850790 428345358 /nfs/dbraw/zinc/34/53/58/428345358.db2.gz IBNQAINRRZGESZ-YESZJQIVSA-N 2 1 316.445 2.819 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373027556 428511638 /nfs/dbraw/zinc/51/16/38/428511638.db2.gz FPOITBLAMNLCGD-WBVHZDCISA-N 2 1 310.401 2.841 20 30 DFEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000373615682 428621433 /nfs/dbraw/zinc/62/14/33/428621433.db2.gz LPHXFGBDSBEFEP-HKUYNNGSSA-N 2 1 308.429 2.679 20 30 DFEDMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](C#N)CCC#N)CC2)C1CC1 ZINC000362618023 428794358 /nfs/dbraw/zinc/79/43/58/428794358.db2.gz WFICKJOMXUCOFZ-HZPDHXFCSA-N 2 1 300.450 2.626 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CNc1nc(C)[nH+]c(C)c1C)C(C)C ZINC000348720992 428819960 /nfs/dbraw/zinc/81/99/60/428819960.db2.gz GLZGQQIAPKAUJK-QGZVFWFLSA-N 2 1 302.466 3.512 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000424179545 429107453 /nfs/dbraw/zinc/10/74/53/429107453.db2.gz YVBWIZSMQPNCRM-ZFWWWQNUSA-N 2 1 321.490 2.590 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000424179545 429107457 /nfs/dbraw/zinc/10/74/57/429107457.db2.gz YVBWIZSMQPNCRM-ZFWWWQNUSA-N 2 1 321.490 2.590 20 30 DFEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000376670332 429157063 /nfs/dbraw/zinc/15/70/63/429157063.db2.gz GWSWPSFQRPSZNQ-UHFFFAOYSA-N 2 1 323.444 2.514 20 30 DFEDMP C=CC[C@@H]1[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444790243 429277825 /nfs/dbraw/zinc/27/78/25/429277825.db2.gz HSNYOSBFLVWQIO-KRWDZBQOSA-N 2 1 321.509 2.654 20 30 DFEDMP COc1ccc(C#N)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866020 429529250 /nfs/dbraw/zinc/52/92/50/429529250.db2.gz QITVNASNUWDOJQ-UHFFFAOYSA-N 2 1 313.445 2.875 20 30 DFEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000368492188 429856626 /nfs/dbraw/zinc/85/66/26/429856626.db2.gz AJFAVDXORLHFFC-ZBRFXRBCSA-N 2 1 305.466 2.548 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000368492188 429856628 /nfs/dbraw/zinc/85/66/28/429856628.db2.gz AJFAVDXORLHFFC-ZBRFXRBCSA-N 2 1 305.466 2.548 20 30 DFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000369054399 429909820 /nfs/dbraw/zinc/90/98/20/429909820.db2.gz KNRYQFFQAMUNIT-DLBZAZTESA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000369054399 429909821 /nfs/dbraw/zinc/90/98/21/429909821.db2.gz KNRYQFFQAMUNIT-DLBZAZTESA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@H]21 ZINC000369054399 429909823 /nfs/dbraw/zinc/90/98/23/429909823.db2.gz KNRYQFFQAMUNIT-DLBZAZTESA-N 2 1 305.466 2.503 20 30 DFEDMP N#CC1(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000369202072 429919447 /nfs/dbraw/zinc/91/94/47/429919447.db2.gz GGXMWLRUPZESCE-KRWDZBQOSA-N 2 1 305.466 2.505 20 30 DFEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H](C#N)C3)CC2)oc1C ZINC000562523436 430141846 /nfs/dbraw/zinc/14/18/46/430141846.db2.gz YJQIFSKKBUREDJ-IRXDYDNUSA-N 2 1 316.449 2.785 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638524330 430366566 /nfs/dbraw/zinc/36/65/66/430366566.db2.gz LTTPVPWFUMYVRD-HNNXBMFYSA-N 2 1 303.450 2.651 20 30 DFEDMP COCC#CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000645007705 430888914 /nfs/dbraw/zinc/88/89/14/430888914.db2.gz NTDNZEDSBQTMMF-UHFFFAOYSA-N 2 1 312.457 2.624 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649336935 431069329 /nfs/dbraw/zinc/06/93/29/431069329.db2.gz PMKXOJKDTHYTMJ-VQTJNVASSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649336935 431069333 /nfs/dbraw/zinc/06/93/33/431069333.db2.gz PMKXOJKDTHYTMJ-VQTJNVASSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649336935 431069336 /nfs/dbraw/zinc/06/93/36/431069336.db2.gz PMKXOJKDTHYTMJ-VQTJNVASSA-N 2 1 314.473 2.912 20 30 DFEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000577121309 318172714 /nfs/dbraw/zinc/17/27/14/318172714.db2.gz CXYVHTLKOVBSDP-AEFFLSMTSA-N 2 1 300.450 2.943 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000518361982 332017920 /nfs/dbraw/zinc/01/79/20/332017920.db2.gz JNBGONHDSRLXKN-IBGZPJMESA-N 2 1 302.462 2.610 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000378539991 333039845 /nfs/dbraw/zinc/03/98/45/333039845.db2.gz BKMSUURPTAEBIX-GBESFXJTSA-N 2 1 300.446 2.689 20 30 DFEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484586 334173007 /nfs/dbraw/zinc/17/30/07/334173007.db2.gz OEMZMOPRLCQNRV-LPHOPBHVSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484586 334173009 /nfs/dbraw/zinc/17/30/09/334173009.db2.gz OEMZMOPRLCQNRV-LPHOPBHVSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484586 334173011 /nfs/dbraw/zinc/17/30/11/334173011.db2.gz OEMZMOPRLCQNRV-LPHOPBHVSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484586 334173012 /nfs/dbraw/zinc/17/30/12/334173012.db2.gz OEMZMOPRLCQNRV-LPHOPBHVSA-N 2 1 314.477 2.808 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290756583 334174611 /nfs/dbraw/zinc/17/46/11/334174611.db2.gz YUYMJGHBAQFLMW-GOSISDBHSA-N 2 1 314.477 2.769 20 30 DFEDMP C=CCCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352711835 336231793 /nfs/dbraw/zinc/23/17/93/336231793.db2.gz BDCJHYKORBXTOO-UHFFFAOYSA-N 2 1 301.478 2.702 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+]CC(C)(C)CCC#N)C2)nc(C)[nH+]1 ZINC000374140773 336982200 /nfs/dbraw/zinc/98/22/00/336982200.db2.gz CIHQHMTXJLDOOO-INIZCTEOSA-N 2 1 315.465 2.982 20 30 DFEDMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)C(C)C ZINC000378453914 337073191 /nfs/dbraw/zinc/07/31/91/337073191.db2.gz OOYGBDWDTZJUPF-XDNAFOTISA-N 2 1 307.482 2.935 20 30 DFEDMP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432354394 338153821 /nfs/dbraw/zinc/15/38/21/338153821.db2.gz WRUVGRXFJSSJRZ-QGZVFWFLSA-N 2 1 318.461 2.842 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000567678977 341627209 /nfs/dbraw/zinc/62/72/09/341627209.db2.gz GUORXMHXJGYARS-UHFFFAOYSA-N 2 1 321.852 2.909 20 30 DFEDMP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365984358 522777388 /nfs/dbraw/zinc/77/73/88/522777388.db2.gz ACOSRMUDAVMUCL-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365984358 522777398 /nfs/dbraw/zinc/77/73/98/522777398.db2.gz ACOSRMUDAVMUCL-QGZVFWFLSA-N 2 1 324.428 2.718 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361834522 535550582 /nfs/dbraw/zinc/55/05/82/535550582.db2.gz UMTROYFPAGTEFW-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP Cc1nc2c(n1[C@H]1CCN(Cc3ccncc3C#N)C1)CCCC2 ZINC000592107357 398385299 /nfs/dbraw/zinc/38/52/99/398385299.db2.gz JIEHCBMNNJAARI-KRWDZBQOSA-N 2 1 321.428 2.784 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199656 283211215 /nfs/dbraw/zinc/21/12/15/283211215.db2.gz INUNXMOJVUGVRB-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199656 283211219 /nfs/dbraw/zinc/21/12/19/283211219.db2.gz INUNXMOJVUGVRB-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199656 283211223 /nfs/dbraw/zinc/21/12/23/283211223.db2.gz INUNXMOJVUGVRB-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@H](C)C1 ZINC000135199656 283211225 /nfs/dbraw/zinc/21/12/25/283211225.db2.gz INUNXMOJVUGVRB-RHSMWYFYSA-N 2 1 301.434 2.729 20 30 DFEDMP C=CCc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(OC)c1O ZINC000092253565 193180572 /nfs/dbraw/zinc/18/05/72/193180572.db2.gz BPOFJBYTMWLMRN-OAHLLOKOSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(OC)c1O ZINC000092253565 193180574 /nfs/dbraw/zinc/18/05/74/193180574.db2.gz BPOFJBYTMWLMRN-OAHLLOKOSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CCc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1O ZINC000092253565 193180576 /nfs/dbraw/zinc/18/05/76/193180576.db2.gz BPOFJBYTMWLMRN-OAHLLOKOSA-N 2 1 318.461 2.903 20 30 DFEDMP C=CCc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1O ZINC000092253565 193180578 /nfs/dbraw/zinc/18/05/78/193180578.db2.gz BPOFJBYTMWLMRN-OAHLLOKOSA-N 2 1 318.461 2.903 20 30 DFEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595906041 399130389 /nfs/dbraw/zinc/13/03/89/399130389.db2.gz VPUFSIGUTYHTAW-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595906041 399130392 /nfs/dbraw/zinc/13/03/92/399130392.db2.gz VPUFSIGUTYHTAW-QGZVFWFLSA-N 2 1 307.482 2.893 20 30 DFEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908207 399130737 /nfs/dbraw/zinc/13/07/37/399130737.db2.gz ZUFSASSIWRTAOM-QAPCUYQASA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908207 399130741 /nfs/dbraw/zinc/13/07/41/399130741.db2.gz ZUFSASSIWRTAOM-QAPCUYQASA-N 2 1 301.434 2.662 20 30 DFEDMP N#Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)c(CO)c1 ZINC000600780035 399143338 /nfs/dbraw/zinc/14/33/38/399143338.db2.gz HRUVNDVCMCQCEP-IBGZPJMESA-N 2 1 321.424 2.641 20 30 DFEDMP N#Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)c(CO)c1 ZINC000600780035 399143343 /nfs/dbraw/zinc/14/33/43/399143343.db2.gz HRUVNDVCMCQCEP-IBGZPJMESA-N 2 1 321.424 2.641 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000618903919 399255537 /nfs/dbraw/zinc/25/55/37/399255537.db2.gz KRVYVTGNZXQZCR-UHFFFAOYSA-N 2 1 300.450 2.897 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000602506917 399463573 /nfs/dbraw/zinc/46/35/73/399463573.db2.gz YFIYYHLHIQNDNN-MRXNPFEDSA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000602520902 399467237 /nfs/dbraw/zinc/46/72/37/399467237.db2.gz KYSSKRIMYRQZCJ-SJORKVTESA-N 2 1 315.461 2.937 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000602520902 399467239 /nfs/dbraw/zinc/46/72/39/399467239.db2.gz KYSSKRIMYRQZCJ-SJORKVTESA-N 2 1 315.461 2.937 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H](C)C1 ZINC000602545730 399472736 /nfs/dbraw/zinc/47/27/36/399472736.db2.gz OJWMQFSWLXWBTC-AQEOSJORSA-N 2 1 307.482 2.795 20 30 DFEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000602665058 399510045 /nfs/dbraw/zinc/51/00/45/399510045.db2.gz YIFGFZBOEUPXCL-OAHLLOKOSA-N 2 1 301.409 2.861 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726793 399543429 /nfs/dbraw/zinc/54/34/29/399543429.db2.gz BLQUXWQILHQNCK-SJLPKXTDSA-N 2 1 320.440 2.811 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602726793 399543433 /nfs/dbraw/zinc/54/34/33/399543433.db2.gz BLQUXWQILHQNCK-SJLPKXTDSA-N 2 1 320.440 2.811 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373106461 150232093 /nfs/dbraw/zinc/23/20/93/150232093.db2.gz JFNNGRAWVSEHFO-MRXNPFEDSA-N 2 1 310.401 2.680 20 30 DFEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050274 544589117 /nfs/dbraw/zinc/58/91/17/544589117.db2.gz WVVKWTNRQQBLDN-UFYCRDLUSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678050274 544589121 /nfs/dbraw/zinc/58/91/21/544589121.db2.gz WVVKWTNRQQBLDN-UFYCRDLUSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678050274 544589123 /nfs/dbraw/zinc/58/91/23/544589123.db2.gz WVVKWTNRQQBLDN-UFYCRDLUSA-N 2 1 314.473 2.910 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678050274 544589127 /nfs/dbraw/zinc/58/91/27/544589127.db2.gz WVVKWTNRQQBLDN-UFYCRDLUSA-N 2 1 314.473 2.910 20 30 DFEDMP CC[N@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(C)C ZINC000353497520 266125509 /nfs/dbraw/zinc/12/55/09/266125509.db2.gz OXTFANHIZPVQCQ-UHFFFAOYSA-N 2 1 314.477 2.847 20 30 DFEDMP CC[N@@H+](CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(C)C ZINC000353497520 266125515 /nfs/dbraw/zinc/12/55/15/266125515.db2.gz OXTFANHIZPVQCQ-UHFFFAOYSA-N 2 1 314.477 2.847 20 30 DFEDMP CC[NH+](CC)CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000193471762 268069785 /nfs/dbraw/zinc/06/97/85/268069785.db2.gz KHRMFQUOGIWCDT-UHFFFAOYSA-N 2 1 314.477 2.802 20 30 DFEDMP CC[NH+](CC)CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000193471762 268069787 /nfs/dbraw/zinc/06/97/87/268069787.db2.gz KHRMFQUOGIWCDT-UHFFFAOYSA-N 2 1 314.477 2.802 20 30 DFEDMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286248104 268273583 /nfs/dbraw/zinc/27/35/83/268273583.db2.gz UGKLXYCBWYKGOS-UHFFFAOYSA-N 2 1 314.477 2.849 20 30 DFEDMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286248104 268273586 /nfs/dbraw/zinc/27/35/86/268273586.db2.gz UGKLXYCBWYKGOS-UHFFFAOYSA-N 2 1 314.477 2.849 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129461908 426140392 /nfs/dbraw/zinc/14/03/92/426140392.db2.gz WEZMJQUZQZDTJX-GVDBMIGSSA-N 2 1 318.465 2.579 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081095130 426220250 /nfs/dbraw/zinc/22/02/50/426220250.db2.gz AEPKAULEUBQIDF-CRAIPNDOSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081095130 426220253 /nfs/dbraw/zinc/22/02/53/426220253.db2.gz AEPKAULEUBQIDF-CRAIPNDOSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081095130 426220255 /nfs/dbraw/zinc/22/02/55/426220255.db2.gz AEPKAULEUBQIDF-CRAIPNDOSA-N 2 1 301.434 2.599 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136868963 426246967 /nfs/dbraw/zinc/24/69/67/426246967.db2.gz JJJFDXHQQPEFLV-WBVHZDCISA-N 2 1 302.466 2.554 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340879182 269026348 /nfs/dbraw/zinc/02/63/48/269026348.db2.gz UAKMYBVQCUSTMR-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340879182 269026349 /nfs/dbraw/zinc/02/63/49/269026349.db2.gz UAKMYBVQCUSTMR-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000178615529 426663626 /nfs/dbraw/zinc/66/36/26/426663626.db2.gz UQWAWTHZBXOIJM-UHFFFAOYSA-N 2 1 321.428 2.724 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000266850715 426786323 /nfs/dbraw/zinc/78/63/23/426786323.db2.gz DDAGNXRFBFIIFI-CRAIPNDOSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000266850715 426786327 /nfs/dbraw/zinc/78/63/27/426786327.db2.gz DDAGNXRFBFIIFI-CRAIPNDOSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000266850715 426786332 /nfs/dbraw/zinc/78/63/32/426786332.db2.gz DDAGNXRFBFIIFI-CRAIPNDOSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516158 426841547 /nfs/dbraw/zinc/84/15/47/426841547.db2.gz INUNXMOJVUGVRB-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516158 426841553 /nfs/dbraw/zinc/84/15/53/426841553.db2.gz INUNXMOJVUGVRB-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516158 426841557 /nfs/dbraw/zinc/84/15/57/426841557.db2.gz INUNXMOJVUGVRB-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)[C@@H](C)C1 ZINC000246516158 426841561 /nfs/dbraw/zinc/84/15/61/426841561.db2.gz INUNXMOJVUGVRB-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239965 426860307 /nfs/dbraw/zinc/86/03/07/426860307.db2.gz JADFHMBGUQISNS-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239965 426860312 /nfs/dbraw/zinc/86/03/12/426860312.db2.gz JADFHMBGUQISNS-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239965 426860318 /nfs/dbraw/zinc/86/03/18/426860318.db2.gz JADFHMBGUQISNS-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC000282239965 426860324 /nfs/dbraw/zinc/86/03/24/426860324.db2.gz JADFHMBGUQISNS-WMLDXEAASA-N 2 1 301.434 2.729 20 30 DFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000247016608 426891872 /nfs/dbraw/zinc/89/18/72/426891872.db2.gz LPVSHYVDRQOUQG-HOCLYGCPSA-N 2 1 320.506 2.932 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000329313235 427088579 /nfs/dbraw/zinc/08/85/79/427088579.db2.gz CFOBNTAACSXSAH-GJZGRUSLSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000329313235 427088584 /nfs/dbraw/zinc/08/85/84/427088584.db2.gz CFOBNTAACSXSAH-GJZGRUSLSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000329313235 427088588 /nfs/dbraw/zinc/08/85/88/427088588.db2.gz CFOBNTAACSXSAH-GJZGRUSLSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000329313235 427088595 /nfs/dbraw/zinc/08/85/95/427088595.db2.gz CFOBNTAACSXSAH-GJZGRUSLSA-N 2 1 319.453 2.681 20 30 DFEDMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000329313235 427088600 /nfs/dbraw/zinc/08/86/00/427088600.db2.gz CFOBNTAACSXSAH-GJZGRUSLSA-N 2 1 319.453 2.681 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](C)C1 ZINC000248934784 427063891 /nfs/dbraw/zinc/06/38/91/427063891.db2.gz YDLRNJNJAJRCKV-TVFCKZIOSA-N 2 1 307.482 2.795 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000329520865 427134308 /nfs/dbraw/zinc/13/43/08/427134308.db2.gz OPIJVOAYYKVZEH-RRFJBIMHSA-N 2 1 304.438 2.583 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285499516 427253232 /nfs/dbraw/zinc/25/32/32/427253232.db2.gz MPBKLZUGIAZVPR-JWTNVVGKSA-N 2 1 313.445 2.884 20 30 DFEDMP C[NH+](CCCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285499516 427253240 /nfs/dbraw/zinc/25/32/40/427253240.db2.gz MPBKLZUGIAZVPR-JWTNVVGKSA-N 2 1 313.445 2.884 20 30 DFEDMP C[NH+](CCCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285499516 427253247 /nfs/dbraw/zinc/25/32/47/427253247.db2.gz MPBKLZUGIAZVPR-JWTNVVGKSA-N 2 1 313.445 2.884 20 30 DFEDMP C[C@H](CCNCc1cc(C#N)n(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000191265292 427303410 /nfs/dbraw/zinc/30/34/10/427303410.db2.gz ZKTURBQFADIOHN-MRXNPFEDSA-N 2 1 310.445 2.897 20 30 DFEDMP C[C@H](CC[NH2+]Cc1cc(C#N)n(C)c1)[N@H+](C)Cc1ccccc1 ZINC000191265292 427303417 /nfs/dbraw/zinc/30/34/17/427303417.db2.gz ZKTURBQFADIOHN-MRXNPFEDSA-N 2 1 310.445 2.897 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000285690178 427309778 /nfs/dbraw/zinc/30/97/78/427309778.db2.gz OJQNDYKADIIJKZ-PMACEKPBSA-N 2 1 324.472 2.743 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000285690178 427309784 /nfs/dbraw/zinc/30/97/84/427309784.db2.gz OJQNDYKADIIJKZ-PMACEKPBSA-N 2 1 324.472 2.743 20 30 DFEDMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285771103 427334075 /nfs/dbraw/zinc/33/40/75/427334075.db2.gz SUZSNRIBUNIVRL-MRXNPFEDSA-N 2 1 314.477 2.847 20 30 DFEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000262529614 427362665 /nfs/dbraw/zinc/36/26/65/427362665.db2.gz MTZLVQJLDPITHN-HIFRSBDPSA-N 2 1 308.495 2.610 20 30 DFEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccccn1 ZINC000262694101 427368711 /nfs/dbraw/zinc/36/87/11/427368711.db2.gz DBDCIQHKWISYBN-OAHLLOKOSA-N 2 1 301.438 2.605 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000264125421 427664248 /nfs/dbraw/zinc/66/42/48/427664248.db2.gz RZWQNUFJKOKUPZ-KRWDZBQOSA-N 2 1 320.481 2.735 20 30 DFEDMP CC(C)[NH+]1CCC([N@@H+](C)CCCC2(C#N)CCOCC2)CC1 ZINC000337140781 427804288 /nfs/dbraw/zinc/80/42/88/427804288.db2.gz RIEYTCOKWVTTPW-UHFFFAOYSA-N 2 1 307.482 2.892 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337175046 427809677 /nfs/dbraw/zinc/80/96/77/427809677.db2.gz HTVJEEUNWLSTMM-UHFFFAOYSA-N 2 1 304.438 2.614 20 30 DFEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000337175046 427809679 /nfs/dbraw/zinc/80/96/79/427809679.db2.gz HTVJEEUNWLSTMM-UHFFFAOYSA-N 2 1 304.438 2.614 20 30 DFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000341376278 428051782 /nfs/dbraw/zinc/05/17/82/428051782.db2.gz YAWLHVYRVYACLJ-YQVWRLOYSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000341376278 428051787 /nfs/dbraw/zinc/05/17/87/428051787.db2.gz YAWLHVYRVYACLJ-YQVWRLOYSA-N 2 1 302.462 2.814 20 30 DFEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCC#N)CC2)CC1 ZINC000371153732 428370966 /nfs/dbraw/zinc/37/09/66/428370966.db2.gz CBJVJIRWVIIGTO-UHFFFAOYSA-N 2 1 320.525 2.808 20 30 DFEDMP C[N@H+](CCCCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371153732 428370974 /nfs/dbraw/zinc/37/09/74/428370974.db2.gz CBJVJIRWVIIGTO-UHFFFAOYSA-N 3 1 320.525 2.808 20 30 DFEDMP C[N@@H+](CCCCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371153732 428370980 /nfs/dbraw/zinc/37/09/80/428370980.db2.gz CBJVJIRWVIIGTO-UHFFFAOYSA-N 3 1 320.525 2.808 20 30 DFEDMP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1Cl)CC[NH+](C)C ZINC000344032199 428611991 /nfs/dbraw/zinc/61/19/91/428611991.db2.gz PRKYHLWCSGTMAB-UHFFFAOYSA-N 2 1 322.884 2.527 20 30 DFEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1Cl)CC[NH+](C)C ZINC000344032199 428611996 /nfs/dbraw/zinc/61/19/96/428611996.db2.gz PRKYHLWCSGTMAB-UHFFFAOYSA-N 2 1 322.884 2.527 20 30 DFEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000348295648 428698046 /nfs/dbraw/zinc/69/80/46/428698046.db2.gz XXZHXEZXOCEYCY-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000348295648 428698052 /nfs/dbraw/zinc/69/80/52/428698052.db2.gz XXZHXEZXOCEYCY-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000348295648 428698056 /nfs/dbraw/zinc/69/80/56/428698056.db2.gz XXZHXEZXOCEYCY-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000348295648 428698062 /nfs/dbraw/zinc/69/80/62/428698062.db2.gz XXZHXEZXOCEYCY-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C=CCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358866448 428710154 /nfs/dbraw/zinc/71/01/54/428710154.db2.gz SVLKXGXKKQMUAE-CALCHBBNSA-N 2 1 310.482 2.543 20 30 DFEDMP C=CCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358866448 428710160 /nfs/dbraw/zinc/71/01/60/428710160.db2.gz SVLKXGXKKQMUAE-CALCHBBNSA-N 2 1 310.482 2.543 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000354223590 428926457 /nfs/dbraw/zinc/92/64/57/428926457.db2.gz LSCBMDNQBXSRRP-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000354223590 428926461 /nfs/dbraw/zinc/92/64/61/428926461.db2.gz LSCBMDNQBXSRRP-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]([NH2+]CCSCc1ccccc1C#N)[C@@H]1CCCC[NH2+]1 ZINC000422997243 429054142 /nfs/dbraw/zinc/05/41/42/429054142.db2.gz USBDAOFCVZFCGV-YOEHRIQHSA-N 2 1 303.475 2.912 20 30 DFEDMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1C#N ZINC000423129619 429054759 /nfs/dbraw/zinc/05/47/59/429054759.db2.gz XHAJMBSFDGFBJY-KSSFIOAISA-N 2 1 309.413 2.615 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453371763 429148268 /nfs/dbraw/zinc/14/82/68/429148268.db2.gz UVPWPKPACQGKDM-ZGXWSNOMSA-N 2 1 314.473 2.814 20 30 DFEDMP COc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1C#N ZINC000440821233 429227910 /nfs/dbraw/zinc/22/79/10/429227910.db2.gz QKDKAACQBZHFMQ-UHFFFAOYSA-N 2 1 301.434 2.778 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000365244053 429286914 /nfs/dbraw/zinc/28/69/14/429286914.db2.gz RZJPPQFOHYCNJW-HNNXBMFYSA-N 2 1 309.417 2.534 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000365244053 429286919 /nfs/dbraw/zinc/28/69/19/429286919.db2.gz RZJPPQFOHYCNJW-HNNXBMFYSA-N 2 1 309.417 2.534 20 30 DFEDMP Cc1cc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c(C#N)cn1 ZINC000425212270 429246973 /nfs/dbraw/zinc/24/69/73/429246973.db2.gz ZQZXZIUNSJEBBK-OAHLLOKOSA-N 2 1 306.413 2.542 20 30 DFEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000365430458 429317457 /nfs/dbraw/zinc/31/74/57/429317457.db2.gz FPZSOBAALRCTHT-SFHVURJKSA-N 2 1 320.525 2.807 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000367042710 429564202 /nfs/dbraw/zinc/56/42/02/429564202.db2.gz JNUGJXDAXIQBFP-ARZKPCJCSA-N 2 1 319.493 2.795 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639044606 430500374 /nfs/dbraw/zinc/50/03/74/430500374.db2.gz NYMQUOZISKPTDZ-SCTDSRPQSA-N 2 1 300.446 2.881 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639044606 430500378 /nfs/dbraw/zinc/50/03/78/430500378.db2.gz NYMQUOZISKPTDZ-SCTDSRPQSA-N 2 1 300.446 2.881 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639044607 430501262 /nfs/dbraw/zinc/50/12/62/430501262.db2.gz NYMQUOZISKPTDZ-YQVWRLOYSA-N 2 1 300.446 2.881 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639044607 430501265 /nfs/dbraw/zinc/50/12/65/430501265.db2.gz NYMQUOZISKPTDZ-YQVWRLOYSA-N 2 1 300.446 2.881 20 30 DFEDMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000278735773 288040335 /nfs/dbraw/zinc/04/03/35/288040335.db2.gz NCBBEXMREXOJDR-IBGZPJMESA-N 2 1 314.477 2.627 20 30 DFEDMP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248602 431013133 /nfs/dbraw/zinc/01/31/33/431013133.db2.gz HFDHWCWYKJLWEF-LBPRGKRZSA-N 2 1 312.866 2.911 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498283 431604722 /nfs/dbraw/zinc/60/47/22/431604722.db2.gz DNZPJYAJTGEZCW-CVEARBPZSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498283 431604729 /nfs/dbraw/zinc/60/47/29/431604729.db2.gz DNZPJYAJTGEZCW-CVEARBPZSA-N 2 1 304.434 2.819 20 30 DFEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC)c1ccc(C(F)(F)F)cc1 ZINC000076105976 331954010 /nfs/dbraw/zinc/95/40/10/331954010.db2.gz UMCMZKUOQRBMQJ-ZDUSSCGKSA-N 2 1 316.371 2.622 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000518361983 332017938 /nfs/dbraw/zinc/01/79/38/332017938.db2.gz JNBGONHDSRLXKN-LJQANCHMSA-N 2 1 302.462 2.610 20 30 DFEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCCC(C)C)cc1F ZINC000104178750 332244408 /nfs/dbraw/zinc/24/44/08/332244408.db2.gz MEPWLCIKHLYYNS-UHFFFAOYSA-N 2 1 317.412 2.770 20 30 DFEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCC2)o1 ZINC000170914424 333042568 /nfs/dbraw/zinc/04/25/68/333042568.db2.gz MMCQQMAFJSHFNX-CQSZACIVSA-N 2 1 313.405 2.547 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539668 335124632 /nfs/dbraw/zinc/12/46/32/335124632.db2.gz AOMXJJUBJKWMGT-QGZVFWFLSA-N 2 1 301.390 2.517 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539668 335124633 /nfs/dbraw/zinc/12/46/33/335124633.db2.gz AOMXJJUBJKWMGT-QGZVFWFLSA-N 2 1 301.390 2.517 20 30 DFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000184879704 333202316 /nfs/dbraw/zinc/20/23/16/333202316.db2.gz RXCQUZOTLLVUTE-CQSZACIVSA-N 2 1 310.392 2.513 20 30 DFEDMP N#CC1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278539817 334097764 /nfs/dbraw/zinc/09/77/64/334097764.db2.gz GGBWPWDTASEEKZ-LJQANCHMSA-N 2 1 313.445 2.513 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000340286236 334161121 /nfs/dbraw/zinc/16/11/21/334161121.db2.gz PEIQVSNYJAEJKF-ZWKOTPCHSA-N 2 1 307.482 2.749 20 30 DFEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCCC#N)CCN1Cc1ccccc1 ZINC000292703237 334191227 /nfs/dbraw/zinc/19/12/27/334191227.db2.gz DKTWWFHBGQUPHM-MJGOQNOKSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@@H]1C[C@@H]([NH+](C)CCOCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000292703237 334191228 /nfs/dbraw/zinc/19/12/28/334191228.db2.gz DKTWWFHBGQUPHM-MJGOQNOKSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@@H]1C[C@@H]([NH+](C)CCOCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000292703237 334191229 /nfs/dbraw/zinc/19/12/29/334191229.db2.gz DKTWWFHBGQUPHM-MJGOQNOKSA-N 2 1 315.461 2.902 20 30 DFEDMP C[C@@H]1C[C@@H]([N@H+](C)CCOCCC#N)CC[NH+]1Cc1ccccc1 ZINC000292703237 334191230 /nfs/dbraw/zinc/19/12/30/334191230.db2.gz DKTWWFHBGQUPHM-MJGOQNOKSA-N 2 1 315.461 2.902 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000344683892 335266521 /nfs/dbraw/zinc/26/65/21/335266521.db2.gz OKJKFHIDQBMEAE-CZUORRHYSA-N 2 1 304.434 2.702 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000344683892 335266523 /nfs/dbraw/zinc/26/65/23/335266523.db2.gz OKJKFHIDQBMEAE-CZUORRHYSA-N 2 1 304.434 2.702 20 30 DFEDMP C=CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000352451905 336219996 /nfs/dbraw/zinc/21/99/96/336219996.db2.gz ZBBVGEHUQRUPHJ-UHFFFAOYSA-N 2 1 310.195 2.927 20 30 DFEDMP C=CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000352451905 336219997 /nfs/dbraw/zinc/21/99/97/336219997.db2.gz ZBBVGEHUQRUPHJ-UHFFFAOYSA-N 2 1 310.195 2.927 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185826038 337250598 /nfs/dbraw/zinc/25/05/98/337250598.db2.gz YDLRNJNJAJRCKV-XDNAFOTISA-N 2 1 307.482 2.795 20 30 DFEDMP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000192989199 337308713 /nfs/dbraw/zinc/30/87/13/337308713.db2.gz QWARPNYRLBMYSA-IRXDYDNUSA-N 2 1 305.466 2.693 20 30 DFEDMP C#CCOc1ccccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121790465 337396561 /nfs/dbraw/zinc/39/65/61/337396561.db2.gz CXUJZWPSOUKZOH-UHFFFAOYSA-N 2 1 323.440 2.887 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C)C2)CC1 ZINC000161675871 337594727 /nfs/dbraw/zinc/59/47/27/337594727.db2.gz RFPLLNFZSHOKTA-CGTJXYLNSA-N 2 1 322.493 2.984 20 30 DFEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCCCCC2)[NH+]2CCCC2)o1 ZINC000262431246 337617703 /nfs/dbraw/zinc/61/77/03/337617703.db2.gz BRJHSSYUKYMCLY-MRXNPFEDSA-N 2 1 318.465 2.916 20 30 DFEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000365159225 527215843 /nfs/dbraw/zinc/21/58/43/527215843.db2.gz YGTGVMKXYQMLQE-YOEHRIQHSA-N 2 1 314.458 2.741 20 30 DFEDMP C[N@H+](CCOc1cccc(C#N)c1)CC[C@@H]1CCCC[NH+]1C ZINC000173962749 536401139 /nfs/dbraw/zinc/40/11/39/536401139.db2.gz CFVOSRWUXDTZMC-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@@H+](CCOc1cccc(C#N)c1)CC[C@@H]1CCCC[NH+]1C ZINC000173962749 536401143 /nfs/dbraw/zinc/40/11/43/536401143.db2.gz CFVOSRWUXDTZMC-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1cccc(C#N)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173962749 536401145 /nfs/dbraw/zinc/40/11/45/536401145.db2.gz CFVOSRWUXDTZMC-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1cccc(C#N)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000173962749 536401149 /nfs/dbraw/zinc/40/11/49/536401149.db2.gz CFVOSRWUXDTZMC-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081634622 398363872 /nfs/dbraw/zinc/36/38/72/398363872.db2.gz RFIUKPKQYINFQC-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000081634622 398363877 /nfs/dbraw/zinc/36/38/77/398363877.db2.gz RFIUKPKQYINFQC-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000081634622 398363881 /nfs/dbraw/zinc/36/38/81/398363881.db2.gz RFIUKPKQYINFQC-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000081634622 398363885 /nfs/dbraw/zinc/36/38/85/398363885.db2.gz RFIUKPKQYINFQC-GOSISDBHSA-N 2 1 313.445 2.601 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000581066375 398387700 /nfs/dbraw/zinc/38/77/00/398387700.db2.gz LNBPXYHITKKWHG-LPHOPBHVSA-N 2 1 302.462 2.781 20 30 DFEDMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cccc(C#N)c1 ZINC000591687898 398781160 /nfs/dbraw/zinc/78/11/60/398781160.db2.gz ABMHFLAWXTWIQR-ZDUSSCGKSA-N 2 1 310.401 2.864 20 30 DFEDMP N#Cc1ccc(OCCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051953321 398827934 /nfs/dbraw/zinc/82/79/34/398827934.db2.gz RVKBVBIKYHGBGK-UHFFFAOYSA-N 2 1 313.445 2.887 20 30 DFEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598590111 398836942 /nfs/dbraw/zinc/83/69/42/398836942.db2.gz KFNSFOKPCSFGDU-ROUUACIJSA-N 2 1 321.509 2.731 20 30 DFEDMP CC(C)(CCC#N)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594975326 398884958 /nfs/dbraw/zinc/88/49/58/398884958.db2.gz QVSQWTZWIJZNNN-SFHVURJKSA-N 2 1 315.461 2.673 20 30 DFEDMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000595500891 398951092 /nfs/dbraw/zinc/95/10/92/398951092.db2.gz GJYPRJHOJSZLNC-QZTJIDSGSA-N 2 1 303.450 2.712 20 30 DFEDMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000595500891 398951094 /nfs/dbraw/zinc/95/10/94/398951094.db2.gz GJYPRJHOJSZLNC-QZTJIDSGSA-N 2 1 303.450 2.712 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907515 399130401 /nfs/dbraw/zinc/13/04/01/399130401.db2.gz WNEIDRSCZXYPRX-YJBOKZPZSA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907515 399130402 /nfs/dbraw/zinc/13/04/02/399130402.db2.gz WNEIDRSCZXYPRX-YJBOKZPZSA-N 2 1 301.434 2.662 20 30 DFEDMP C=CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccco1 ZINC000287396315 335045542 /nfs/dbraw/zinc/04/55/42/335045542.db2.gz IWPXNJVRKVZQOU-INIZCTEOSA-N 2 1 305.466 2.903 20 30 DFEDMP N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157330539 197180364 /nfs/dbraw/zinc/18/03/64/197180364.db2.gz IZURETZQWJPJFU-GOSISDBHSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157330539 197180366 /nfs/dbraw/zinc/18/03/66/197180366.db2.gz IZURETZQWJPJFU-GOSISDBHSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000602844874 399598766 /nfs/dbraw/zinc/59/87/66/399598766.db2.gz HBTPZKGVDFBDOH-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP N#Cc1ccccc1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846460 399600763 /nfs/dbraw/zinc/60/07/63/399600763.db2.gz QEUVWCKQGJCDNG-UHFFFAOYSA-N 2 1 322.412 2.544 20 30 DFEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000289968016 335067591 /nfs/dbraw/zinc/06/75/91/335067591.db2.gz BPXIVFHAZSVPSJ-UHFFFAOYSA-N 2 1 300.446 2.647 20 30 DFEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000108428829 426016739 /nfs/dbraw/zinc/01/67/39/426016739.db2.gz TZSVYJREQSZMBI-KRWDZBQOSA-N 2 1 301.434 2.801 20 30 DFEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135122398 426206195 /nfs/dbraw/zinc/20/61/95/426206195.db2.gz BOEXCQPDLBQUKP-UHFFFAOYSA-N 2 1 301.434 2.873 20 30 DFEDMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000090004428 426323083 /nfs/dbraw/zinc/32/30/83/426323083.db2.gz JZVKOGRUUMDXEI-QGZVFWFLSA-N 2 1 311.404 2.865 20 30 DFEDMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000090004428 426323086 /nfs/dbraw/zinc/32/30/86/426323086.db2.gz JZVKOGRUUMDXEI-QGZVFWFLSA-N 2 1 311.404 2.865 20 30 DFEDMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cccc(C#N)c1 ZINC000177021321 426435087 /nfs/dbraw/zinc/43/50/87/426435087.db2.gz DJUYQUOBRKORIW-UHFFFAOYSA-N 2 1 303.369 2.771 20 30 DFEDMP CN(Cc1ccc(-n2ccnc2)nc1)Cc1cccc(C#N)c1 ZINC000177021321 426435090 /nfs/dbraw/zinc/43/50/90/426435090.db2.gz DJUYQUOBRKORIW-UHFFFAOYSA-N 2 1 303.369 2.771 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCCCC1 ZINC000195290882 426511632 /nfs/dbraw/zinc/51/16/32/426511632.db2.gz OWQOVIAXMMAPQU-KRWDZBQOSA-N 2 1 314.477 2.746 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000186193843 426492365 /nfs/dbraw/zinc/49/23/65/426492365.db2.gz ONEICNKMHDBXCP-HOTGVXAUSA-N 2 1 313.445 2.804 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444488 426631478 /nfs/dbraw/zinc/63/14/78/426631478.db2.gz NCSPNNFRTZXBAB-SFHVURJKSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444488 426631482 /nfs/dbraw/zinc/63/14/82/426631482.db2.gz NCSPNNFRTZXBAB-SFHVURJKSA-N 2 1 312.461 2.555 20 30 DFEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000178444488 426631485 /nfs/dbraw/zinc/63/14/85/426631485.db2.gz NCSPNNFRTZXBAB-SFHVURJKSA-N 2 1 312.461 2.555 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000266850720 426786213 /nfs/dbraw/zinc/78/62/13/426786213.db2.gz DDAGNXRFBFIIFI-QAPCUYQASA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000266850720 426786215 /nfs/dbraw/zinc/78/62/15/426786215.db2.gz DDAGNXRFBFIIFI-QAPCUYQASA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000266850720 426786220 /nfs/dbraw/zinc/78/62/20/426786220.db2.gz DDAGNXRFBFIIFI-QAPCUYQASA-N 2 1 301.434 2.751 20 30 DFEDMP C=CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274856853 426850702 /nfs/dbraw/zinc/85/07/02/426850702.db2.gz SIXMMWXRLSGBRD-WDSOQIARSA-N 2 1 302.462 2.814 20 30 DFEDMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1C#N ZINC000282392036 426898445 /nfs/dbraw/zinc/89/84/45/426898445.db2.gz REDSYRITFBIWPA-UHFFFAOYSA-N 2 1 301.434 2.871 20 30 DFEDMP C[C@@H](CCNCc1cc(C#N)n(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000191265279 427303496 /nfs/dbraw/zinc/30/34/96/427303496.db2.gz ZKTURBQFADIOHN-INIZCTEOSA-N 2 1 310.445 2.897 20 30 DFEDMP C[C@@H](CC[NH2+]Cc1cc(C#N)n(C)c1)[N@H+](C)Cc1ccccc1 ZINC000191265279 427303503 /nfs/dbraw/zinc/30/35/03/427303503.db2.gz ZKTURBQFADIOHN-INIZCTEOSA-N 2 1 310.445 2.897 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000285815726 427345121 /nfs/dbraw/zinc/34/51/21/427345121.db2.gz WALCRWMCISUQIJ-UHFFFAOYSA-N 2 1 324.472 2.743 20 30 DFEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)C ZINC000262529612 427362685 /nfs/dbraw/zinc/36/26/85/427362685.db2.gz MTZLVQJLDPITHN-DZGCQCFKSA-N 2 1 308.495 2.610 20 30 DFEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278999304 427526822 /nfs/dbraw/zinc/52/68/22/427526822.db2.gz RDIIZDDXPKJZDP-JKSUJKDBSA-N 2 1 309.413 2.808 20 30 DFEDMP N#Cc1csc(CN2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000356441102 428178780 /nfs/dbraw/zinc/17/87/80/428178780.db2.gz SCWPIQNZMKVFII-ZDUSSCGKSA-N 2 1 313.430 2.537 20 30 DFEDMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000342733404 428441421 /nfs/dbraw/zinc/44/14/21/428441421.db2.gz UAYOKJWMQCTWDB-MRXNPFEDSA-N 2 1 313.449 2.662 20 30 DFEDMP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000361462992 428570113 /nfs/dbraw/zinc/57/01/13/428570113.db2.gz DJKAYICKDLGJCN-RBUKOAKNSA-N 2 1 313.445 2.691 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361805399 428597232 /nfs/dbraw/zinc/59/72/32/428597232.db2.gz ZSHXJYVGBPEQTF-KRWDZBQOSA-N 2 1 300.450 2.589 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362032974 428611132 /nfs/dbraw/zinc/61/11/32/428611132.db2.gz RFZVCBOXKLEPRD-ZRSRNVLSSA-N 2 1 319.493 2.936 20 30 DFEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000373615685 428621183 /nfs/dbraw/zinc/62/11/83/428621183.db2.gz LPHXFGBDSBEFEP-PKOBYXMFSA-N 2 1 308.429 2.679 20 30 DFEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221943 428921887 /nfs/dbraw/zinc/92/18/87/428921887.db2.gz IBVBNNRKFKPPSL-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221943 428921893 /nfs/dbraw/zinc/92/18/93/428921893.db2.gz IBVBNNRKFKPPSL-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221943 428921899 /nfs/dbraw/zinc/92/18/99/428921899.db2.gz IBVBNNRKFKPPSL-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C[C@H]1C ZINC000354221943 428921905 /nfs/dbraw/zinc/92/19/05/428921905.db2.gz IBVBNNRKFKPPSL-NVXWUHKLSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000354220941 428924009 /nfs/dbraw/zinc/92/40/09/428924009.db2.gz FZKZQGKRAHPYDE-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000354220941 428924013 /nfs/dbraw/zinc/92/40/13/428924013.db2.gz FZKZQGKRAHPYDE-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000354220941 428924019 /nfs/dbraw/zinc/92/40/19/428924019.db2.gz FZKZQGKRAHPYDE-WBVHZDCISA-N 2 1 301.434 2.742 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC[NH2+]C)CC2)c1C ZINC000420317285 428957578 /nfs/dbraw/zinc/95/75/78/428957578.db2.gz ZGRNRMMIPMILNK-UHFFFAOYSA-N 2 1 317.477 2.795 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000375889410 429008810 /nfs/dbraw/zinc/00/88/10/429008810.db2.gz OPSVWIFEGFBUPY-UYAOXDASSA-N 2 1 324.472 2.743 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000491119268 429325697 /nfs/dbraw/zinc/32/56/97/429325697.db2.gz HWZYZEBVCHNIQA-IEBWSBKVSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000491119268 429325699 /nfs/dbraw/zinc/32/56/99/429325699.db2.gz HWZYZEBVCHNIQA-IEBWSBKVSA-N 2 1 300.446 2.699 20 30 DFEDMP C#CCN1CCC(C(=O)OCc2ccc(C(C)C)nc2C)CC1 ZINC000491120257 429326265 /nfs/dbraw/zinc/32/62/65/429326265.db2.gz MAISPQWKRZVIQH-UHFFFAOYSA-N 2 1 314.429 2.902 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449694545 429480558 /nfs/dbraw/zinc/48/05/58/429480558.db2.gz BYYXLBMBDFEJKA-NZSAHSFTSA-N 2 1 302.462 2.814 20 30 DFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000450476852 429635086 /nfs/dbraw/zinc/63/50/86/429635086.db2.gz SEZULJIGDWIRBV-CALCHBBNSA-N 2 1 319.493 2.892 20 30 DFEDMP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000528375074 429880999 /nfs/dbraw/zinc/88/09/99/429880999.db2.gz ZAYHTFJQPAWUGE-MSOLQXFVSA-N 2 1 319.493 2.629 20 30 DFEDMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)nc(C)[nH+]1 ZINC000368669891 429884820 /nfs/dbraw/zinc/88/48/20/429884820.db2.gz BRNMSVCWYYFYBH-GOSISDBHSA-N 2 1 321.428 2.724 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000369344067 429926658 /nfs/dbraw/zinc/92/66/58/429926658.db2.gz PETZALZWNAWRGJ-LZQZEXGQSA-N 2 1 313.445 2.537 20 30 DFEDMP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248601 431013804 /nfs/dbraw/zinc/01/38/04/431013804.db2.gz HFDHWCWYKJLWEF-GFCCVEGCSA-N 2 1 312.866 2.911 20 30 DFEDMP C=CC[C@]1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662684102 431162255 /nfs/dbraw/zinc/16/22/55/431162255.db2.gz XJTJPMXMBYUKFE-ZIFCJYIRSA-N 2 1 321.509 2.559 20 30 DFEDMP C=CC[C@]1(C(=O)NCCC[N@H+](CC)C2CCCCC2)CCC[NH2+]1 ZINC000662829522 431207548 /nfs/dbraw/zinc/20/75/48/431207548.db2.gz TVTXHQZVOUZABU-LJQANCHMSA-N 2 1 321.509 2.846 20 30 DFEDMP CC(C)[NH+](CCC[NH2+]Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000173571402 315958201 /nfs/dbraw/zinc/95/82/01/315958201.db2.gz FOEVJEHPKIAXKK-UHFFFAOYSA-N 2 1 313.449 2.804 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000577121311 318172632 /nfs/dbraw/zinc/17/26/32/318172632.db2.gz CXYVHTLKOVBSDP-FUHWJXTLSA-N 2 1 300.450 2.943 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)C1 ZINC000170912545 333042564 /nfs/dbraw/zinc/04/25/64/333042564.db2.gz SAZAWNVJJVGRQY-GASCZTMLSA-N 2 1 302.466 2.541 20 30 DFEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949880 335129084 /nfs/dbraw/zinc/12/90/84/335129084.db2.gz INGLHPGLNRKPQS-ICSRJNTNSA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949880 335129086 /nfs/dbraw/zinc/12/90/86/335129086.db2.gz INGLHPGLNRKPQS-ICSRJNTNSA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000294949880 335129088 /nfs/dbraw/zinc/12/90/88/335129088.db2.gz INGLHPGLNRKPQS-ICSRJNTNSA-N 3 1 313.489 2.584 20 30 DFEDMP C#CCOc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364677453 333326434 /nfs/dbraw/zinc/32/64/34/333326434.db2.gz XEIPJLFXCQKUDX-QGZVFWFLSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364677453 333326435 /nfs/dbraw/zinc/32/64/35/333326435.db2.gz XEIPJLFXCQKUDX-QGZVFWFLSA-N 2 1 309.413 2.590 20 30 DFEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684274 334068475 /nfs/dbraw/zinc/06/84/75/334068475.db2.gz CYRLGOGFRWGYIE-HOCLYGCPSA-N 2 1 303.406 2.971 20 30 DFEDMP N#CC1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278539815 334097852 /nfs/dbraw/zinc/09/78/52/334097852.db2.gz GGBWPWDTASEEKZ-IBGZPJMESA-N 2 1 313.445 2.513 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290494830 334173230 /nfs/dbraw/zinc/17/32/30/334173230.db2.gz HDUGQDQCFQQQEF-GOSISDBHSA-N 2 1 316.493 2.945 20 30 DFEDMP CN(C(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000290727382 334174662 /nfs/dbraw/zinc/17/46/62/334174662.db2.gz VQWZXLSUGHMREM-QGZVFWFLSA-N 2 1 314.477 2.698 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000344624497 335265055 /nfs/dbraw/zinc/26/50/55/335265055.db2.gz IXPZMYNDYAUADZ-WBVHZDCISA-N 2 1 301.434 2.941 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345930018 335361700 /nfs/dbraw/zinc/36/17/00/335361700.db2.gz BKOUGBKLNFGGSH-UHFFFAOYSA-N 2 1 309.498 2.997 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354327599 336467029 /nfs/dbraw/zinc/46/70/29/336467029.db2.gz HNGXYVVXXSPQKO-HLLBOEOZSA-N 2 1 308.466 2.594 20 30 DFEDMP CC1CC[NH+](CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)CC1 ZINC000360943189 336728752 /nfs/dbraw/zinc/72/87/52/336728752.db2.gz ZZFZTDKLNXNCJS-SFHVURJKSA-N 2 1 302.466 2.874 20 30 DFEDMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449180850 338599965 /nfs/dbraw/zinc/59/99/65/338599965.db2.gz CMXDWWIPDHUAIZ-UHFFFAOYSA-N 2 1 307.482 2.938 20 30 DFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543608435 341051087 /nfs/dbraw/zinc/05/10/87/341051087.db2.gz NQKZFIIRCJCPOG-CVEARBPZSA-N 2 1 307.507 2.981 20 30 DFEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000365159224 527216342 /nfs/dbraw/zinc/21/63/42/527216342.db2.gz YGTGVMKXYQMLQE-WMLDXEAASA-N 2 1 314.458 2.741 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645782 214299841 /nfs/dbraw/zinc/29/98/41/214299841.db2.gz SMHVLGDYAJQXHL-JKSUJKDBSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(C#N)c1 ZINC000278645782 214299842 /nfs/dbraw/zinc/29/98/42/214299842.db2.gz SMHVLGDYAJQXHL-JKSUJKDBSA-N 2 1 301.434 2.710 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000066243166 398364378 /nfs/dbraw/zinc/36/43/78/398364378.db2.gz KOVWABVNQNEAGJ-OAHLLOKOSA-N 2 1 300.450 2.509 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578358388 398372359 /nfs/dbraw/zinc/37/23/59/398372359.db2.gz ABWDVKVBKBNXMR-LJQANCHMSA-N 2 1 316.445 2.836 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578358388 398372360 /nfs/dbraw/zinc/37/23/60/398372360.db2.gz ABWDVKVBKBNXMR-LJQANCHMSA-N 2 1 316.445 2.836 20 30 DFEDMP Cc1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)cc1C#N ZINC000596360854 398394382 /nfs/dbraw/zinc/39/43/82/398394382.db2.gz HERNYXKJJSADCA-LBPRGKRZSA-N 2 1 323.872 2.599 20 30 DFEDMP Cc1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1C#N ZINC000596360854 398394383 /nfs/dbraw/zinc/39/43/83/398394383.db2.gz HERNYXKJJSADCA-LBPRGKRZSA-N 2 1 323.872 2.599 20 30 DFEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(Cl)ccc1C#N ZINC000596361015 398394678 /nfs/dbraw/zinc/39/46/78/398394678.db2.gz ORXHNYHCDJRETH-ZDUSSCGKSA-N 2 1 308.857 2.896 20 30 DFEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(Cl)ccc1C#N ZINC000596361015 398394682 /nfs/dbraw/zinc/39/46/82/398394682.db2.gz ORXHNYHCDJRETH-ZDUSSCGKSA-N 2 1 308.857 2.896 20 30 DFEDMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000181775345 199350784 /nfs/dbraw/zinc/35/07/84/199350784.db2.gz DKNACXOQAXRCPK-NVXWUHKLSA-N 2 1 313.445 2.710 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000236863021 202041899 /nfs/dbraw/zinc/04/18/99/202041899.db2.gz RJAYHGKNCQFYPV-QFBILLFUSA-N 2 1 315.461 2.785 20 30 DFEDMP N#CC1(c2ccc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000594944580 398878211 /nfs/dbraw/zinc/87/82/11/398878211.db2.gz KJSBPJGPOOGPRU-MRXNPFEDSA-N 2 1 306.413 2.790 20 30 DFEDMP CC(C[NH+]1CCC[C@@H](CC#N)C1)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619556 399004665 /nfs/dbraw/zinc/00/46/65/399004665.db2.gz DEAZYABQVKPGKI-ROUUACIJSA-N 2 1 302.466 2.874 20 30 DFEDMP CC(C[NH+]1CCC[C@@H](CC#N)C1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619556 399004666 /nfs/dbraw/zinc/00/46/66/399004666.db2.gz DEAZYABQVKPGKI-ROUUACIJSA-N 2 1 302.466 2.874 20 30 DFEDMP N#Cc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600721264 399124068 /nfs/dbraw/zinc/12/40/68/399124068.db2.gz KQKWDZRXVAVUFW-CABCVRRESA-N 2 1 311.351 2.560 20 30 DFEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179242974 399128985 /nfs/dbraw/zinc/12/89/85/399128985.db2.gz HCERLLDXYUGKBW-DOMZBBRYSA-N 2 1 324.831 2.562 20 30 DFEDMP N#CCc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000600749614 399135186 /nfs/dbraw/zinc/13/51/86/399135186.db2.gz HZHLHVFHKNOBIG-UHFFFAOYSA-N 2 1 317.436 2.957 20 30 DFEDMP C=CCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285469636 335026295 /nfs/dbraw/zinc/02/62/95/335026295.db2.gz HKGFKKIXWUKMEJ-PMACEKPBSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285469636 335026296 /nfs/dbraw/zinc/02/62/96/335026296.db2.gz HKGFKKIXWUKMEJ-PMACEKPBSA-N 2 1 314.473 2.912 20 30 DFEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602502255 399461748 /nfs/dbraw/zinc/46/17/48/399461748.db2.gz KRONLYZQHGZZJS-MRXNPFEDSA-N 2 1 301.434 2.548 20 30 DFEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602544002 399471413 /nfs/dbraw/zinc/47/14/13/399471413.db2.gz GRKVKEFCCCTQEI-IAGOWNOFSA-N 2 1 307.482 2.795 20 30 DFEDMP N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611409703 399471853 /nfs/dbraw/zinc/47/18/53/399471853.db2.gz UIEGFCQBXNPBFV-HKUYNNGSSA-N 2 1 313.445 2.943 20 30 DFEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602796625 399578529 /nfs/dbraw/zinc/57/85/29/399578529.db2.gz DNZPXAHYUMHKSW-UHFFFAOYSA-N 2 1 307.482 2.751 20 30 DFEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1 ZINC000156630682 197128845 /nfs/dbraw/zinc/12/88/45/197128845.db2.gz OIZBOGUTQYNHRR-SFHVURJKSA-N 2 1 315.461 2.991 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156630682 197128846 /nfs/dbraw/zinc/12/88/46/197128846.db2.gz OIZBOGUTQYNHRR-SFHVURJKSA-N 2 1 315.461 2.991 20 30 DFEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156630682 197128848 /nfs/dbraw/zinc/12/88/48/197128848.db2.gz OIZBOGUTQYNHRR-SFHVURJKSA-N 2 1 315.461 2.991 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844356 399598483 /nfs/dbraw/zinc/59/84/83/399598483.db2.gz BUUHMKIYJZHPHT-UHFFFAOYSA-N 2 1 322.412 2.544 20 30 DFEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602897756 399618409 /nfs/dbraw/zinc/61/84/09/399618409.db2.gz ZBJPWPYUCWQKTK-GOSISDBHSA-N 2 1 312.461 2.919 20 30 DFEDMP C=CC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625702864 399618911 /nfs/dbraw/zinc/61/89/11/399618911.db2.gz OXHAIPCSDBRYBH-QGZVFWFLSA-N 2 1 300.446 2.917 20 30 DFEDMP C=CC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625702864 399618914 /nfs/dbraw/zinc/61/89/14/399618914.db2.gz OXHAIPCSDBRYBH-QGZVFWFLSA-N 2 1 300.446 2.917 20 30 DFEDMP C=C(C)[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)c(F)c1 ZINC000289573386 335064468 /nfs/dbraw/zinc/06/44/68/335064468.db2.gz QQTLFNLWQQDHJR-WMLDXEAASA-N 2 1 310.388 2.627 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000247319156 158129627 /nfs/dbraw/zinc/12/96/27/158129627.db2.gz LALLVSVHJNEIPU-YOEHRIQHSA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000247319156 158129629 /nfs/dbraw/zinc/12/96/29/158129629.db2.gz LALLVSVHJNEIPU-YOEHRIQHSA-N 2 1 321.490 2.846 20 30 DFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156649 /nfs/dbraw/zinc/15/66/49/158156649.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156651 /nfs/dbraw/zinc/15/66/51/158156651.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000248027934 158156653 /nfs/dbraw/zinc/15/66/53/158156653.db2.gz PREPRRHQQQCTPF-PKOBYXMFSA-N 2 1 313.445 2.743 20 30 DFEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343315773 335070923 /nfs/dbraw/zinc/07/09/23/335070923.db2.gz RBHKYZMGDVIZSH-IYBDPMFKSA-N 2 1 305.466 2.501 20 30 DFEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3(C#N)CC3)CC2)C[C@H](C)O1 ZINC000343315773 335070921 /nfs/dbraw/zinc/07/09/21/335070921.db2.gz RBHKYZMGDVIZSH-IYBDPMFKSA-N 2 1 305.466 2.501 20 30 DFEDMP C[C@@H]1C[NH+](CCC2CC[NH+](CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000343315771 335070933 /nfs/dbraw/zinc/07/09/33/335070933.db2.gz RBHKYZMGDVIZSH-HZPDHXFCSA-N 2 1 305.466 2.501 20 30 DFEDMP C=CCOc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668784961 543866717 /nfs/dbraw/zinc/86/67/17/543866717.db2.gz LFZNVKPFNMPWFD-LJQANCHMSA-N 2 1 318.461 2.794 20 30 DFEDMP C=CCOc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668784961 543866720 /nfs/dbraw/zinc/86/67/20/543866720.db2.gz LFZNVKPFNMPWFD-LJQANCHMSA-N 2 1 318.461 2.794 20 30 DFEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000671723639 544102798 /nfs/dbraw/zinc/10/27/98/544102798.db2.gz DMOAWNHLAMIJAO-RTBURBONSA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000671723639 544102800 /nfs/dbraw/zinc/10/28/00/544102800.db2.gz DMOAWNHLAMIJAO-RTBURBONSA-N 2 1 300.446 2.521 20 30 DFEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723639 544102803 /nfs/dbraw/zinc/10/28/03/544102803.db2.gz DMOAWNHLAMIJAO-RTBURBONSA-N 2 1 300.446 2.521 20 30 DFEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423190250 270000762 /nfs/dbraw/zinc/00/07/62/270000762.db2.gz QTDUXEVLHWKMIJ-IBGZPJMESA-N 2 1 306.413 2.710 20 30 DFEDMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353521120 266118238 /nfs/dbraw/zinc/11/82/38/266118238.db2.gz PAODYDILQIIDKE-INIZCTEOSA-N 2 1 314.477 2.847 20 30 DFEDMP C=C(C)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915673 425969577 /nfs/dbraw/zinc/96/95/77/425969577.db2.gz VWAIOPXQCQBDLC-LJQANCHMSA-N 2 1 302.462 2.940 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000106246370 425972069 /nfs/dbraw/zinc/97/20/69/425972069.db2.gz FDSIWTCOJVSCNE-UHFFFAOYSA-N 2 1 304.434 2.834 20 30 DFEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000108428827 426017014 /nfs/dbraw/zinc/01/70/14/426017014.db2.gz TZSVYJREQSZMBI-QGZVFWFLSA-N 2 1 301.434 2.801 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000076002615 426093379 /nfs/dbraw/zinc/09/33/79/426093379.db2.gz ZVWKRAORGBWBGK-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000076002615 426093383 /nfs/dbraw/zinc/09/33/83/426093383.db2.gz ZVWKRAORGBWBGK-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000076002612 426094082 /nfs/dbraw/zinc/09/40/82/426094082.db2.gz ZVWKRAORGBWBGK-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000076002612 426094085 /nfs/dbraw/zinc/09/40/85/426094085.db2.gz ZVWKRAORGBWBGK-KRWDZBQOSA-N 2 1 301.434 2.601 20 30 DFEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000113326843 426112899 /nfs/dbraw/zinc/11/28/99/426112899.db2.gz XAFPKECLSBDUPA-SFHVURJKSA-N 2 1 300.446 2.910 20 30 DFEDMP N#Cc1cccc(OC2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000162942039 426083621 /nfs/dbraw/zinc/08/36/21/426083621.db2.gz KAKCNLUWMYQKNI-UHFFFAOYSA-N 2 1 313.445 2.887 20 30 DFEDMP C=CCC[C@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130097491 426147049 /nfs/dbraw/zinc/14/70/49/426147049.db2.gz DDKROTYOFIZECG-SFHVURJKSA-N 2 1 303.450 2.557 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081095127 426219841 /nfs/dbraw/zinc/21/98/41/426219841.db2.gz AEPKAULEUBQIDF-QAPCUYQASA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081095127 426219845 /nfs/dbraw/zinc/21/98/45/426219845.db2.gz AEPKAULEUBQIDF-QAPCUYQASA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000081095127 426219847 /nfs/dbraw/zinc/21/98/47/426219847.db2.gz AEPKAULEUBQIDF-QAPCUYQASA-N 2 1 301.434 2.599 20 30 DFEDMP C[C@@H]1C[C@H](CNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000136869578 426247108 /nfs/dbraw/zinc/24/71/08/426247108.db2.gz AFPCFRGTUBVQSV-GDBMZVCRSA-N 2 1 302.466 2.600 20 30 DFEDMP C[C@@H]1C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000136869654 426247508 /nfs/dbraw/zinc/24/75/08/426247508.db2.gz AFPCFRGTUBVQSV-ZBFHGGJFSA-N 2 1 302.466 2.600 20 30 DFEDMP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000121272212 426330086 /nfs/dbraw/zinc/33/00/86/426330086.db2.gz LYDGTQOQEWMKDT-KRWDZBQOSA-N 2 1 309.369 2.615 20 30 DFEDMP COc1cc(C#N)ccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC000121272212 426330088 /nfs/dbraw/zinc/33/00/88/426330088.db2.gz LYDGTQOQEWMKDT-KRWDZBQOSA-N 2 1 309.369 2.615 20 30 DFEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000176748782 426409928 /nfs/dbraw/zinc/40/99/28/426409928.db2.gz IWQQONWWVADEMD-UHFFFAOYSA-N 2 1 301.434 2.537 20 30 DFEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123376818 426430108 /nfs/dbraw/zinc/43/01/08/426430108.db2.gz NDFUFHMHQIXRNM-UHFFFAOYSA-N 2 1 311.433 2.558 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)CC[N@H+]1C ZINC000177821177 426526253 /nfs/dbraw/zinc/52/62/53/426526253.db2.gz LWGRTLRNTMSFRE-PBHICJAKSA-N 2 1 303.475 2.864 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000266850722 426786176 /nfs/dbraw/zinc/78/61/76/426786176.db2.gz DDAGNXRFBFIIFI-YJBOKZPZSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000266850722 426786178 /nfs/dbraw/zinc/78/61/78/426786178.db2.gz DDAGNXRFBFIIFI-YJBOKZPZSA-N 2 1 301.434 2.751 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000266850722 426786181 /nfs/dbraw/zinc/78/61/81/426786181.db2.gz DDAGNXRFBFIIFI-YJBOKZPZSA-N 2 1 301.434 2.751 20 30 DFEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245666417 426761041 /nfs/dbraw/zinc/76/10/41/426761041.db2.gz HCERLLDXYUGKBW-SWLSCSKDSA-N 2 1 324.831 2.562 20 30 DFEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962779 426901009 /nfs/dbraw/zinc/90/10/09/426901009.db2.gz YENLYHXISIXQSF-INIZCTEOSA-N 2 1 314.477 2.577 20 30 DFEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000268092213 426911068 /nfs/dbraw/zinc/91/10/68/426911068.db2.gz UIBOTTTVUQVYMF-INIZCTEOSA-N 2 1 302.466 2.954 20 30 DFEDMP C=CCC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247657441 426956913 /nfs/dbraw/zinc/95/69/13/426956913.db2.gz XENQGRIOJQJMQK-OALUTQOASA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247657441 426956919 /nfs/dbraw/zinc/95/69/19/426956919.db2.gz XENQGRIOJQJMQK-OALUTQOASA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247657441 426956924 /nfs/dbraw/zinc/95/69/24/426956924.db2.gz XENQGRIOJQJMQK-OALUTQOASA-N 2 1 302.462 2.767 20 30 DFEDMP C[NH+](CC#CC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000276259998 427018105 /nfs/dbraw/zinc/01/81/05/427018105.db2.gz AVVFLBXXQLBONJ-UHFFFAOYSA-N 2 1 324.424 2.665 20 30 DFEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262422117 427358649 /nfs/dbraw/zinc/35/86/49/427358649.db2.gz RCHLRYIDMUYIJQ-ZFWWWQNUSA-N 2 1 308.495 2.691 20 30 DFEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]CC)N2CCc3ccccc32)C1 ZINC000263258093 427447651 /nfs/dbraw/zinc/44/76/51/427447651.db2.gz ROSGNNGMLHVKKJ-INIZCTEOSA-N 2 1 314.477 2.747 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2COc3ccc(OC)cc3C2)CC1 ZINC000297769343 427451171 /nfs/dbraw/zinc/45/11/71/427451171.db2.gz PCYLZJRABQJNGU-KRWDZBQOSA-N 2 1 316.445 2.629 20 30 DFEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271518498 427570392 /nfs/dbraw/zinc/57/03/92/427570392.db2.gz QBQAVRURMLUBFY-SJLPKXTDSA-N 2 1 302.487 2.853 20 30 DFEDMP CC(C)[NH+]1CCN(CCC[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000192744727 427603308 /nfs/dbraw/zinc/60/33/08/427603308.db2.gz MYXQKVFOEFAGRV-UHFFFAOYSA-N 2 1 308.514 2.664 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264067201 427649615 /nfs/dbraw/zinc/64/96/15/427649615.db2.gz BSNZAQLFZFKZGA-CQSZACIVSA-N 2 1 308.495 2.665 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264101622 427656956 /nfs/dbraw/zinc/65/69/56/427656956.db2.gz OGXSFWARCLGMLG-CQSZACIVSA-N 2 1 308.495 2.617 20 30 DFEDMP C=CCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200866 427726934 /nfs/dbraw/zinc/72/69/34/427726934.db2.gz JMMBGWOZYZKZCI-RBUKOAKNSA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200866 427726938 /nfs/dbraw/zinc/72/69/38/427726938.db2.gz JMMBGWOZYZKZCI-RBUKOAKNSA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200866 427726941 /nfs/dbraw/zinc/72/69/41/427726941.db2.gz JMMBGWOZYZKZCI-RBUKOAKNSA-N 2 1 300.446 2.643 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304599979 427939054 /nfs/dbraw/zinc/93/90/54/427939054.db2.gz GWFBXZPNIPXLLM-DZGCQCFKSA-N 2 1 308.495 2.835 20 30 DFEDMP N#Cc1csc(CN2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000356441101 428179748 /nfs/dbraw/zinc/17/97/48/428179748.db2.gz SCWPIQNZMKVFII-CYBMUJFWSA-N 2 1 313.430 2.537 20 30 DFEDMP C=CCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000360244666 428219780 /nfs/dbraw/zinc/21/97/80/428219780.db2.gz DYTJHXHEXSKBFS-RBUKOAKNSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CCC[C@H](CC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000360244666 428219786 /nfs/dbraw/zinc/21/97/86/428219786.db2.gz DYTJHXHEXSKBFS-RBUKOAKNSA-N 2 1 302.462 2.958 20 30 DFEDMP C[C@@H]1CC[NH+](CC#CC[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000342136407 428318711 /nfs/dbraw/zinc/31/87/11/428318711.db2.gz VAJBCNUIYILCES-HZPDHXFCSA-N 2 1 312.548 2.645 20 30 DFEDMP C[N@H+]1C[C@@H]2CN(Cc3ccc(C#N)o3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360776648 428433171 /nfs/dbraw/zinc/43/31/71/428433171.db2.gz FOQHNEOTKPHJGM-LZQZEXGQSA-N 2 1 307.397 2.886 20 30 DFEDMP C[N@@H+](CCCC(C)(C)C#N)C1CC[NH+](C2CCOCC2)CC1 ZINC000372677385 428485249 /nfs/dbraw/zinc/48/52/49/428485249.db2.gz YXODZCQQKXBYSX-UHFFFAOYSA-N 2 1 307.482 2.892 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347203834 428492016 /nfs/dbraw/zinc/49/20/16/428492016.db2.gz KWDHZORNOHNDBN-GDBMZVCRSA-N 2 1 304.434 2.819 20 30 DFEDMP CN(CCC[N@H+](C)Cc1ccc(Cl)cc1C#N)CC[NH+](C)C ZINC000344050801 428620820 /nfs/dbraw/zinc/62/08/20/428620820.db2.gz HYFVXKLSWALYMB-UHFFFAOYSA-N 2 1 322.884 2.527 20 30 DFEDMP CN(CCC[N@@H+](C)Cc1ccc(Cl)cc1C#N)CC[NH+](C)C ZINC000344050801 428620825 /nfs/dbraw/zinc/62/08/25/428620825.db2.gz HYFVXKLSWALYMB-UHFFFAOYSA-N 2 1 322.884 2.527 20 30 DFEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000348295649 428696865 /nfs/dbraw/zinc/69/68/65/428696865.db2.gz XXZHXEZXOCEYCY-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000348295649 428696871 /nfs/dbraw/zinc/69/68/71/428696871.db2.gz XXZHXEZXOCEYCY-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000348295649 428696875 /nfs/dbraw/zinc/69/68/75/428696875.db2.gz XXZHXEZXOCEYCY-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000348295649 428696881 /nfs/dbraw/zinc/69/68/81/428696881.db2.gz XXZHXEZXOCEYCY-SFHVURJKSA-N 2 1 313.445 2.601 20 30 DFEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411237575 428765753 /nfs/dbraw/zinc/76/57/53/428765753.db2.gz BBGNPFDRPPIGFT-KRWDZBQOSA-N 2 1 321.509 2.875 20 30 DFEDMP C=CC[N@H+](CCC1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000359214192 428868645 /nfs/dbraw/zinc/86/86/45/428868645.db2.gz IFPUGNQPFYMKMN-UHFFFAOYSA-N 2 1 303.406 2.973 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000354220924 428923627 /nfs/dbraw/zinc/92/36/27/428923627.db2.gz FZKZQGKRAHPYDE-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000354220924 428923633 /nfs/dbraw/zinc/92/36/33/428923633.db2.gz FZKZQGKRAHPYDE-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000354220924 428923638 /nfs/dbraw/zinc/92/36/38/428923638.db2.gz FZKZQGKRAHPYDE-DOTOQJQBSA-N 2 1 301.434 2.742 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000423510068 429103206 /nfs/dbraw/zinc/10/32/06/429103206.db2.gz RYNTVUYDFZUXOG-LJQANCHMSA-N 2 1 312.461 2.634 20 30 DFEDMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442776837 429235244 /nfs/dbraw/zinc/23/52/44/429235244.db2.gz DUWFJOYSBAWBGK-NEWSRXKRSA-N 2 1 315.461 2.978 20 30 DFEDMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442776837 429235248 /nfs/dbraw/zinc/23/52/48/429235248.db2.gz DUWFJOYSBAWBGK-NEWSRXKRSA-N 2 1 315.461 2.978 20 30 DFEDMP Cc1cc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c(C#N)cn1 ZINC000425212269 429247163 /nfs/dbraw/zinc/24/71/63/429247163.db2.gz ZQZXZIUNSJEBBK-HNNXBMFYSA-N 2 1 306.413 2.542 20 30 DFEDMP Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000365337348 429302637 /nfs/dbraw/zinc/30/26/37/429302637.db2.gz PEKFDKNUGLZFDQ-UHFFFAOYSA-N 2 1 322.456 2.959 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000491651669 429384952 /nfs/dbraw/zinc/38/49/52/429384952.db2.gz IDFUZMXZGIRFRH-APWZRJJASA-N 2 1 318.436 2.838 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000491651669 429384955 /nfs/dbraw/zinc/38/49/55/429384955.db2.gz IDFUZMXZGIRFRH-APWZRJJASA-N 2 1 318.436 2.838 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000366536447 429472868 /nfs/dbraw/zinc/47/28/68/429472868.db2.gz QYIGGHGMISULQM-LJQANCHMSA-N 2 1 312.461 2.564 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449694548 429481248 /nfs/dbraw/zinc/48/12/48/429481248.db2.gz BYYXLBMBDFEJKA-YTQUADARSA-N 2 1 302.462 2.814 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000368415703 429845921 /nfs/dbraw/zinc/84/59/21/429845921.db2.gz DCDRRUBTOXTANW-BRWVUGGUSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000368415706 429846106 /nfs/dbraw/zinc/84/61/06/429846106.db2.gz DCDRRUBTOXTANW-ZACQAIPSSA-N 2 1 307.482 2.795 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)nc(C)[nH+]1 ZINC000368669892 429885181 /nfs/dbraw/zinc/88/51/81/429885181.db2.gz BRNMSVCWYYFYBH-SFHVURJKSA-N 2 1 321.428 2.724 20 30 DFEDMP Cc1nccn1-c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1F ZINC000557481003 429941901 /nfs/dbraw/zinc/94/19/01/429941901.db2.gz WKSVMOFMZYFWTF-OAHLLOKOSA-N 2 1 311.364 2.853 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531719426 430147716 /nfs/dbraw/zinc/14/77/16/430147716.db2.gz NCFPFGUGOGZXLA-UHFFFAOYSA-N 2 1 320.399 2.853 20 30 DFEDMP CC#CC[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768285 430467727 /nfs/dbraw/zinc/46/77/27/430467727.db2.gz ZCUOYOWDAIYGRA-OALUTQOASA-N 2 1 312.457 2.548 20 30 DFEDMP CC#CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000641768285 430467730 /nfs/dbraw/zinc/46/77/30/430467730.db2.gz ZCUOYOWDAIYGRA-OALUTQOASA-N 2 1 312.457 2.548 20 30 DFEDMP C=CC[C@@]1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662684098 431161807 /nfs/dbraw/zinc/16/18/07/431161807.db2.gz XJTJPMXMBYUKFE-SCTDSRPQSA-N 2 1 321.509 2.559 20 30 DFEDMP C=CC[C@]1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC[NH2+]1 ZINC000662789020 431196421 /nfs/dbraw/zinc/19/64/21/431196421.db2.gz ZKTOLDYLXKYEOE-MJQMVNBJSA-N 2 1 319.493 2.549 20 30 DFEDMP C=CCOc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648071835 431808508 /nfs/dbraw/zinc/80/85/08/431808508.db2.gz WTDYGYWBYBGCCU-UHFFFAOYSA-N 2 1 316.445 2.548 20 30 DFEDMP C=CCOc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648071835 431808512 /nfs/dbraw/zinc/80/85/12/431808512.db2.gz WTDYGYWBYBGCCU-UHFFFAOYSA-N 2 1 316.445 2.548 20 30 DFEDMP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000661381235 431838537 /nfs/dbraw/zinc/83/85/37/431838537.db2.gz YCGPOUZAMAPOJD-MJGOQNOKSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000661381235 431838539 /nfs/dbraw/zinc/83/85/39/431838539.db2.gz YCGPOUZAMAPOJD-MJGOQNOKSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381235 431838542 /nfs/dbraw/zinc/83/85/42/431838542.db2.gz YCGPOUZAMAPOJD-MJGOQNOKSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381235 431838546 /nfs/dbraw/zinc/83/85/46/431838546.db2.gz YCGPOUZAMAPOJD-MJGOQNOKSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000378539990 333039795 /nfs/dbraw/zinc/03/97/95/333039795.db2.gz BKMSUURPTAEBIX-CEXWTWQISA-N 2 1 300.446 2.689 20 30 DFEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000170904999 333042256 /nfs/dbraw/zinc/04/22/56/333042256.db2.gz WFKQLXGAZIUXCS-HNNXBMFYSA-N 2 1 301.438 2.507 20 30 DFEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181557711 333170201 /nfs/dbraw/zinc/17/02/01/333170201.db2.gz QIODEZZQAXPTDR-HOTGVXAUSA-N 2 1 301.434 2.971 20 30 DFEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000364356546 333298901 /nfs/dbraw/zinc/29/89/01/333298901.db2.gz UGOYBNLQWLDFFS-SFHVURJKSA-N 2 1 320.525 2.808 20 30 DFEDMP COc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000264142158 333953558 /nfs/dbraw/zinc/95/35/58/333953558.db2.gz WURSCUUQPSPNKT-INIZCTEOSA-N 2 1 318.465 2.535 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281201764 334123768 /nfs/dbraw/zinc/12/37/68/334123768.db2.gz JEITWXGHDZTDCX-UHFFFAOYSA-N 2 1 314.477 2.954 20 30 DFEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484590 334173023 /nfs/dbraw/zinc/17/30/23/334173023.db2.gz OEMZMOPRLCQNRV-QFBILLFUSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484590 334173024 /nfs/dbraw/zinc/17/30/24/334173024.db2.gz OEMZMOPRLCQNRV-QFBILLFUSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484590 334173026 /nfs/dbraw/zinc/17/30/26/334173026.db2.gz OEMZMOPRLCQNRV-QFBILLFUSA-N 2 1 314.477 2.808 20 30 DFEDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290484590 334173027 /nfs/dbraw/zinc/17/30/27/334173027.db2.gz OEMZMOPRLCQNRV-QFBILLFUSA-N 2 1 314.477 2.808 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290494831 334173174 /nfs/dbraw/zinc/17/31/74/334173174.db2.gz HDUGQDQCFQQQEF-SFHVURJKSA-N 2 1 316.493 2.945 20 30 DFEDMP CN1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366848942 335198154 /nfs/dbraw/zinc/19/81/54/335198154.db2.gz GOMZUFFUQVDGDT-IRXDYDNUSA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848942 335198155 /nfs/dbraw/zinc/19/81/55/335198155.db2.gz GOMZUFFUQVDGDT-IRXDYDNUSA-N 2 1 305.466 2.646 20 30 DFEDMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000366848942 335198156 /nfs/dbraw/zinc/19/81/56/335198156.db2.gz GOMZUFFUQVDGDT-IRXDYDNUSA-N 2 1 305.466 2.646 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)C2 ZINC000329804816 336084163 /nfs/dbraw/zinc/08/41/63/336084163.db2.gz AGEMCUWNOJVDQA-CQSZACIVSA-N 2 1 304.438 2.585 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000376108066 337027216 /nfs/dbraw/zinc/02/72/16/337027216.db2.gz AEVWGIUPDQSKSC-KRWDZBQOSA-N 2 1 324.428 2.918 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858939 337062711 /nfs/dbraw/zinc/06/27/11/337062711.db2.gz DIAGSXDKQVFXPW-DOTOQJQBSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858939 337062712 /nfs/dbraw/zinc/06/27/12/337062712.db2.gz DIAGSXDKQVFXPW-DOTOQJQBSA-N 2 1 324.428 2.868 20 30 DFEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156785 337190223 /nfs/dbraw/zinc/19/02/23/337190223.db2.gz BXGHTMSNVQBCNK-KBPBESRZSA-N 2 1 312.417 2.522 20 30 DFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430582108 338109076 /nfs/dbraw/zinc/10/90/76/338109076.db2.gz KBQGGXSEXVZHPT-AWEZNQCLSA-N 2 1 323.506 2.568 20 30 DFEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582108 338109077 /nfs/dbraw/zinc/10/90/77/338109077.db2.gz KBQGGXSEXVZHPT-AWEZNQCLSA-N 2 1 323.506 2.568 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482168217 339625450 /nfs/dbraw/zinc/62/54/50/339625450.db2.gz XORFGKKSEHJSTF-QZTJIDSGSA-N 2 1 323.525 2.901 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000581170942 398388053 /nfs/dbraw/zinc/38/80/53/398388053.db2.gz BYYNWJYOIRLWJT-QAPCUYQASA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000581170942 398388056 /nfs/dbraw/zinc/38/80/56/398388056.db2.gz BYYNWJYOIRLWJT-QAPCUYQASA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000581170945 398388472 /nfs/dbraw/zinc/38/84/72/398388472.db2.gz BYYNWJYOIRLWJT-YJBOKZPZSA-N 2 1 301.434 2.971 20 30 DFEDMP COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000581170945 398388477 /nfs/dbraw/zinc/38/84/77/398388477.db2.gz BYYNWJYOIRLWJT-YJBOKZPZSA-N 2 1 301.434 2.971 20 30 DFEDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181493362 199305713 /nfs/dbraw/zinc/30/57/13/199305713.db2.gz NMGDKZNWOLFGHB-QGZVFWFLSA-N 2 1 314.477 2.627 20 30 DFEDMP C=CCCOCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090883927 398495566 /nfs/dbraw/zinc/49/55/66/398495566.db2.gz JGXSLSAYGMTSTR-UHFFFAOYSA-N 2 1 302.462 2.876 20 30 DFEDMP Cc1cccc(NC2CC[NH+](CCCSCC#N)CC2)[nH+]1 ZINC000072519412 398618294 /nfs/dbraw/zinc/61/82/94/398618294.db2.gz OPEUSDYHPFKPRL-UHFFFAOYSA-N 2 1 304.463 2.913 20 30 DFEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC3(C#N)CCCCC3)CC2)C1 ZINC000591019579 398715580 /nfs/dbraw/zinc/71/55/80/398715580.db2.gz SMMBZECOIGJKCU-GOSISDBHSA-N 2 1 318.509 2.562 20 30 DFEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC3(C#N)CCCCC3)CC2)C1 ZINC000591019579 398715582 /nfs/dbraw/zinc/71/55/82/398715582.db2.gz SMMBZECOIGJKCU-GOSISDBHSA-N 2 1 318.509 2.562 20 30 DFEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598590109 398837034 /nfs/dbraw/zinc/83/70/34/398837034.db2.gz KFNSFOKPCSFGDU-MSOLQXFVSA-N 2 1 321.509 2.731 20 30 DFEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598720187 398861213 /nfs/dbraw/zinc/86/12/13/398861213.db2.gz LNPUKCRAVSQNQG-QGZVFWFLSA-N 2 1 303.450 2.529 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595011748 398891831 /nfs/dbraw/zinc/89/18/31/398891831.db2.gz MFZNCYXINPWXAC-HNNXBMFYSA-N 2 1 310.482 2.984 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000596058363 399157423 /nfs/dbraw/zinc/15/74/23/399157423.db2.gz FVLWQAHQJVEIIK-MRXNPFEDSA-N 2 1 301.409 2.909 20 30 DFEDMP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000596058363 399157426 /nfs/dbraw/zinc/15/74/26/399157426.db2.gz FVLWQAHQJVEIIK-MRXNPFEDSA-N 2 1 301.409 2.909 20 30 DFEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000609133592 399304819 /nfs/dbraw/zinc/30/48/19/399304819.db2.gz YCXSAJBXDCCQLJ-UHFFFAOYSA-N 2 1 315.461 2.989 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602502254 399461757 /nfs/dbraw/zinc/46/17/57/399461757.db2.gz KRONLYZQHGZZJS-INIZCTEOSA-N 2 1 301.434 2.548 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602541684 399471858 /nfs/dbraw/zinc/47/18/58/399471858.db2.gz YVNUGCILDUHVBA-UHFFFAOYSA-N 2 1 303.406 2.767 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000611438564 399476974 /nfs/dbraw/zinc/47/69/74/399476974.db2.gz AIDJJTWBCNVSAU-KXBFYZLASA-N 2 1 313.445 2.852 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000602597950 399487426 /nfs/dbraw/zinc/48/74/26/399487426.db2.gz VHRVHLRHIXPXAH-LPHOPBHVSA-N 2 1 315.461 2.673 20 30 DFEDMP N#Cc1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602851060 399602285 /nfs/dbraw/zinc/60/22/85/399602285.db2.gz YGGMJAQYCSTTIZ-UHFFFAOYSA-N 2 1 306.413 2.708 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000668785332 543867025 /nfs/dbraw/zinc/86/70/25/543867025.db2.gz PDZGFNPGNLUZFF-IBGZPJMESA-N 2 1 318.461 2.794 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000668785332 543867027 /nfs/dbraw/zinc/86/70/27/543867027.db2.gz PDZGFNPGNLUZFF-IBGZPJMESA-N 2 1 318.461 2.794 20 30 DFEDMP C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191580104 268006332 /nfs/dbraw/zinc/00/63/32/268006332.db2.gz UTPSMGBTVWEVHW-HOCLYGCPSA-N 2 1 300.450 2.639 20 30 DFEDMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000124982756 425947703 /nfs/dbraw/zinc/94/77/03/425947703.db2.gz PSLVXNOMQVCYKK-UHFFFAOYSA-N 2 1 301.434 2.921 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171640961 426200989 /nfs/dbraw/zinc/20/09/89/426200989.db2.gz QULFNSMRZLUQBY-KRWDZBQOSA-N 2 1 322.412 2.766 20 30 DFEDMP C=CCc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc(OC)c1O ZINC000272646202 426572548 /nfs/dbraw/zinc/57/25/48/426572548.db2.gz OYRYEVHQMILTDH-WBVHZDCISA-N 2 1 316.445 2.655 20 30 DFEDMP CCCC[C@H](C[NH3+])[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423296491 269648641 /nfs/dbraw/zinc/64/86/41/269648641.db2.gz HAZQNYOPJDTMEW-QGZVFWFLSA-N 2 1 300.450 2.634 20 30 DFEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246014466 426791249 /nfs/dbraw/zinc/79/12/49/426791249.db2.gz LOSDNZPEFFOFOC-IAGOWNOFSA-N 2 1 321.509 2.654 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000182187847 427021894 /nfs/dbraw/zinc/02/18/94/427021894.db2.gz DHHYCSUVOYVUIH-UHFFFAOYSA-N 2 1 302.418 2.603 20 30 DFEDMP C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276578396 427104861 /nfs/dbraw/zinc/10/48/61/427104861.db2.gz AQLNQALWJYKAJS-VQIMIIECSA-N 2 1 322.456 2.897 20 30 DFEDMP C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)CC[N@H+]1C ZINC000177821186 271185710 /nfs/dbraw/zinc/18/57/10/271185710.db2.gz LWGRTLRNTMSFRE-YOEHRIQHSA-N 2 1 303.475 2.864 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000264108479 427657423 /nfs/dbraw/zinc/65/74/23/427657423.db2.gz QAZOMOHFTQSTHQ-HNNXBMFYSA-N 2 1 318.465 2.934 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000337170415 427808714 /nfs/dbraw/zinc/80/87/14/427808714.db2.gz CTSJPLAOJQIFRW-IAGOWNOFSA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000337170415 427808716 /nfs/dbraw/zinc/80/87/16/427808716.db2.gz CTSJPLAOJQIFRW-IAGOWNOFSA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000337170415 427808719 /nfs/dbraw/zinc/80/87/19/427808719.db2.gz CTSJPLAOJQIFRW-IAGOWNOFSA-N 2 1 307.482 2.749 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000341890221 428242072 /nfs/dbraw/zinc/24/20/72/428242072.db2.gz SZVTZCUHEAJHGM-NEWSRXKRSA-N 2 1 302.462 2.671 20 30 DFEDMP C[C@@H]1CC[NH+](CC#CC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000342136409 428318628 /nfs/dbraw/zinc/31/86/28/428318628.db2.gz VAJBCNUIYILCES-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000342136409 428318631 /nfs/dbraw/zinc/31/86/31/428318631.db2.gz VAJBCNUIYILCES-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CCS[C@@H](C)CC2)CCS1 ZINC000342136409 428318636 /nfs/dbraw/zinc/31/86/36/428318636.db2.gz VAJBCNUIYILCES-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP C=CCc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347099954 428444058 /nfs/dbraw/zinc/44/40/58/428444058.db2.gz JOZBQPDXGZJYDZ-CQSZACIVSA-N 2 1 304.434 2.561 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc(OC)c1O ZINC000347099954 428444065 /nfs/dbraw/zinc/44/40/65/428444065.db2.gz JOZBQPDXGZJYDZ-CQSZACIVSA-N 2 1 304.434 2.561 20 30 DFEDMP C=CCc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1O ZINC000347142637 428467482 /nfs/dbraw/zinc/46/74/82/428467482.db2.gz WWVPXNFDTVDXAZ-SJPCQFCGSA-N 2 1 316.445 2.844 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1O ZINC000347142637 428467485 /nfs/dbraw/zinc/46/74/85/428467485.db2.gz WWVPXNFDTVDXAZ-SJPCQFCGSA-N 2 1 316.445 2.844 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348133833 428637805 /nfs/dbraw/zinc/63/78/05/428637805.db2.gz CSJFWKIIJAMVFY-WDSOQIARSA-N 2 1 302.462 2.671 20 30 DFEDMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670891 428649528 /nfs/dbraw/zinc/64/95/28/428649528.db2.gz WARIDSRYCLLGHK-DNVCBOLYSA-N 2 1 313.445 2.636 20 30 DFEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCO1 ZINC000353670891 428649531 /nfs/dbraw/zinc/64/95/31/428649531.db2.gz WARIDSRYCLLGHK-DNVCBOLYSA-N 2 1 313.445 2.636 20 30 DFEDMP N#CC1(CCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CCOCC1 ZINC000374160979 428665871 /nfs/dbraw/zinc/66/58/71/428665871.db2.gz LUGJEWNHNCHIBS-FGTMMUONSA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CCOCC1 ZINC000374160979 428665875 /nfs/dbraw/zinc/66/58/75/428665875.db2.gz LUGJEWNHNCHIBS-FGTMMUONSA-N 2 1 317.477 2.503 20 30 DFEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CCOCC1 ZINC000374160979 428665881 /nfs/dbraw/zinc/66/58/81/428665881.db2.gz LUGJEWNHNCHIBS-FGTMMUONSA-N 2 1 317.477 2.503 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354083096 428854021 /nfs/dbraw/zinc/85/40/21/428854021.db2.gz NDXSLPUYIJSXOO-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354083096 428854026 /nfs/dbraw/zinc/85/40/26/428854026.db2.gz NDXSLPUYIJSXOO-KRWDZBQOSA-N 2 1 319.424 2.630 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCSCC#N)C2)c1 ZINC000363582628 428948305 /nfs/dbraw/zinc/94/83/05/428948305.db2.gz NDKDTDYGTRXYJZ-HNNXBMFYSA-N 2 1 304.463 2.771 20 30 DFEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCSCC#N)C2)c1 ZINC000363582628 428948310 /nfs/dbraw/zinc/94/83/10/428948310.db2.gz NDKDTDYGTRXYJZ-HNNXBMFYSA-N 2 1 304.463 2.771 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000491165136 429329469 /nfs/dbraw/zinc/32/94/69/429329469.db2.gz IVJYEIJLORHFCL-HKUYNNGSSA-N 2 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000491165136 429329471 /nfs/dbraw/zinc/32/94/71/429329471.db2.gz IVJYEIJLORHFCL-HKUYNNGSSA-N 2 1 305.510 2.574 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521205 429442890 /nfs/dbraw/zinc/44/28/90/429442890.db2.gz RCZOOMPTGCDGJX-LULLPPNCSA-N 2 1 300.446 2.973 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449521205 429442894 /nfs/dbraw/zinc/44/28/94/429442894.db2.gz RCZOOMPTGCDGJX-LULLPPNCSA-N 2 1 300.446 2.973 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369206334 429919323 /nfs/dbraw/zinc/91/93/23/429919323.db2.gz MQRHNCBTCNANEJ-UHFFFAOYSA-N 2 1 309.417 2.534 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532176 430191313 /nfs/dbraw/zinc/19/13/13/430191313.db2.gz QCGOUFSDPYTEHS-UHFFFAOYSA-N 2 1 309.498 2.609 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639044605 430500611 /nfs/dbraw/zinc/50/06/11/430500611.db2.gz NYMQUOZISKPTDZ-LMMKCTJWSA-N 2 1 300.446 2.881 20 30 DFEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639044605 430500613 /nfs/dbraw/zinc/50/06/13/430500613.db2.gz NYMQUOZISKPTDZ-LMMKCTJWSA-N 2 1 300.446 2.881 20 30 DFEDMP C=CCC1([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000661849444 430865223 /nfs/dbraw/zinc/86/52/23/430865223.db2.gz VNIVBXROCYTBMO-GOSISDBHSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CCC1([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC000661849444 430865228 /nfs/dbraw/zinc/86/52/28/430865228.db2.gz VNIVBXROCYTBMO-GOSISDBHSA-N 2 1 302.462 2.958 20 30 DFEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CCC[NH2+]1 ZINC000662728704 431175626 /nfs/dbraw/zinc/17/56/26/431175626.db2.gz AYTHFKRUXVRTSJ-LPHOPBHVSA-N 2 1 321.509 2.702 20 30 DFEDMP C=CCCn1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000653613939 431459164 /nfs/dbraw/zinc/45/91/64/431459164.db2.gz GZQKDJSDHXSDBO-HZPDHXFCSA-N 2 1 317.481 2.597 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc(OC)c1O ZINC000647498402 431610495 /nfs/dbraw/zinc/61/04/95/431610495.db2.gz GNWZBTMQQJTHRS-ZBFHGGJFSA-N 2 1 304.434 2.689 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc(OC)c1O ZINC000647498402 431610499 /nfs/dbraw/zinc/61/04/99/431610499.db2.gz GNWZBTMQQJTHRS-ZBFHGGJFSA-N 2 1 304.434 2.689 20 30 DFEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)oc2ccccc21 ZINC000184824446 335090124 /nfs/dbraw/zinc/09/01/24/335090124.db2.gz LKCCQMQSIWYWFZ-CQSZACIVSA-N 2 1 314.433 2.630 20 30 DFEDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000565152826 302198136 /nfs/dbraw/zinc/19/81/36/302198136.db2.gz QWRJOIYYEWMMRA-RBUKOAKNSA-N 2 1 315.461 2.836 20 30 DFEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000577054350 318168191 /nfs/dbraw/zinc/16/81/91/318168191.db2.gz CPLJDIYTCAXDLI-IWCVFHTOSA-N 2 1 313.445 2.836 20 30 DFEDMP C=CCCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580215102 333014560 /nfs/dbraw/zinc/01/45/60/333014560.db2.gz OVNCGDLQJVUFCJ-UHFFFAOYSA-N 2 1 321.509 2.655 20 30 DFEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000185760023 333213662 /nfs/dbraw/zinc/21/36/62/333213662.db2.gz WMICFEHWTXWTBB-APWZRJJASA-N 2 1 313.445 2.691 20 30 DFEDMP C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000364459540 333318424 /nfs/dbraw/zinc/31/84/24/333318424.db2.gz JPCNCVYRQJIQET-KRWDZBQOSA-N 2 1 320.525 2.807 20 30 DFEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000365551632 333409938 /nfs/dbraw/zinc/40/99/38/333409938.db2.gz IEFCQDMJYDGLNU-QGZVFWFLSA-N 2 1 309.413 2.637 20 30 DFEDMP N#CCCOCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293539362 334198911 /nfs/dbraw/zinc/19/89/11/334198911.db2.gz KBVWSPNPVZJZLX-IBGZPJMESA-N 2 1 313.445 2.515 20 30 DFEDMP N#CCCOCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293539362 334198912 /nfs/dbraw/zinc/19/89/12/334198912.db2.gz KBVWSPNPVZJZLX-IBGZPJMESA-N 2 1 313.445 2.515 20 30 DFEDMP N#CCCOCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293539362 334198913 /nfs/dbraw/zinc/19/89/13/334198913.db2.gz KBVWSPNPVZJZLX-IBGZPJMESA-N 2 1 313.445 2.515 20 30 DFEDMP N#CCCOCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293539362 334198915 /nfs/dbraw/zinc/19/89/15/334198915.db2.gz KBVWSPNPVZJZLX-IBGZPJMESA-N 2 1 313.445 2.515 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000344683893 335266434 /nfs/dbraw/zinc/26/64/34/335266434.db2.gz OKJKFHIDQBMEAE-XJKSGUPXSA-N 2 1 304.434 2.702 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000344683893 335266435 /nfs/dbraw/zinc/26/64/35/335266435.db2.gz OKJKFHIDQBMEAE-XJKSGUPXSA-N 2 1 304.434 2.702 20 30 DFEDMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329816562 336085492 /nfs/dbraw/zinc/08/54/92/336085492.db2.gz DZIMOPVJDAGKNZ-CABCVRRESA-N 2 1 304.438 2.980 20 30 DFEDMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329816562 336085494 /nfs/dbraw/zinc/08/54/94/336085494.db2.gz DZIMOPVJDAGKNZ-CABCVRRESA-N 2 1 304.438 2.980 20 30 DFEDMP C=C(C)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccc(CO)o1 ZINC000352795670 336237457 /nfs/dbraw/zinc/23/74/57/336237457.db2.gz TWHNODSSRJUCEG-UHFFFAOYSA-N 2 1 303.406 2.745 20 30 DFEDMP C=C(C)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc(CO)o1 ZINC000352795670 336237458 /nfs/dbraw/zinc/23/74/58/336237458.db2.gz TWHNODSSRJUCEG-UHFFFAOYSA-N 2 1 303.406 2.745 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000376108067 337027224 /nfs/dbraw/zinc/02/72/24/337027224.db2.gz AEVWGIUPDQSKSC-QGZVFWFLSA-N 2 1 324.428 2.918 20 30 DFEDMP N#CCC[C@H](C#N)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377767430 337060616 /nfs/dbraw/zinc/06/06/16/337060616.db2.gz MUFAOMDUDPHTSQ-AABGKKOBSA-N 2 1 322.456 2.884 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000378454273 337073259 /nfs/dbraw/zinc/07/32/59/337073259.db2.gz KGCVRPGESQQOKD-LHKMKVQPSA-N 2 1 316.449 2.657 20 30 DFEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000378454271 337073283 /nfs/dbraw/zinc/07/32/83/337073283.db2.gz KGCVRPGESQQOKD-DEORAPPZSA-N 2 1 316.449 2.657 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000192657090 337306084 /nfs/dbraw/zinc/30/60/84/337306084.db2.gz OTIASSZCOHJDNB-XVLXNVKGSA-N 2 1 305.510 2.900 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000192657090 337306085 /nfs/dbraw/zinc/30/60/85/337306085.db2.gz OTIASSZCOHJDNB-XVLXNVKGSA-N 2 1 305.510 2.900 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000192657090 337306086 /nfs/dbraw/zinc/30/60/86/337306086.db2.gz OTIASSZCOHJDNB-XVLXNVKGSA-N 2 1 305.510 2.900 20 30 DFEDMP C=CCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000193427114 337326683 /nfs/dbraw/zinc/32/66/83/337326683.db2.gz HHRXPRKUPNWTKQ-UHFFFAOYSA-N 2 1 321.509 2.609 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194032153 337461492 /nfs/dbraw/zinc/46/14/92/337461492.db2.gz UZKXLCSLZKBUEX-FGTMMUONSA-N 2 1 304.478 2.964 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000435436680 338240135 /nfs/dbraw/zinc/24/01/35/338240135.db2.gz GYLNJGCAZUMFAF-MRXNPFEDSA-N 2 1 304.434 2.703 20 30 DFEDMP C=CCC[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543608442 341051084 /nfs/dbraw/zinc/05/10/84/341051084.db2.gz NQKZFIIRCJCPOG-JKSUJKDBSA-N 2 1 307.507 2.981 20 30 DFEDMP N#Cc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157382122 526728347 /nfs/dbraw/zinc/72/83/47/526728347.db2.gz AKSAYNVXYVGKRR-SFHVURJKSA-N 2 1 313.445 2.887 20 30 DFEDMP N#Cc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157382122 526728349 /nfs/dbraw/zinc/72/83/49/526728349.db2.gz AKSAYNVXYVGKRR-SFHVURJKSA-N 2 1 313.445 2.887 20 30 DFEDMP N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000592154187 398393646 /nfs/dbraw/zinc/39/36/46/398393646.db2.gz QZTKOGVLPDQPLD-LJQANCHMSA-N 2 1 313.445 2.523 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592333 398837964 /nfs/dbraw/zinc/83/79/64/398837964.db2.gz JPISBPJNVBRMBB-SQNIBIBYSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592333 398837966 /nfs/dbraw/zinc/83/79/66/398837966.db2.gz JPISBPJNVBRMBB-SQNIBIBYSA-N 2 1 321.509 2.874 20 30 DFEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598592333 398837969 /nfs/dbraw/zinc/83/79/69/398837969.db2.gz JPISBPJNVBRMBB-SQNIBIBYSA-N 2 1 321.509 2.874 20 30 DFEDMP N#CC1(c2ccc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000594939078 398877196 /nfs/dbraw/zinc/87/71/96/398877196.db2.gz ONJKEDDWZLGRHG-INIZCTEOSA-N 2 1 306.413 2.790 20 30 DFEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271992658 209366913 /nfs/dbraw/zinc/36/69/13/209366913.db2.gz ZZEJJVVJZAAUAT-YOEHRIQHSA-N 2 1 319.424 2.585 20 30 DFEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711066 399120843 /nfs/dbraw/zinc/12/08/43/399120843.db2.gz QRRRKFNYUQZBGR-YTQUADARSA-N 2 1 313.445 2.585 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745972 399160668 /nfs/dbraw/zinc/16/06/68/399160668.db2.gz HFVRVZFYDSLUAO-DLBZAZTESA-N 2 1 321.509 2.654 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745972 399160675 /nfs/dbraw/zinc/16/06/75/399160675.db2.gz HFVRVZFYDSLUAO-DLBZAZTESA-N 2 1 321.509 2.654 20 30 DFEDMP COC1CC[NH+](C2(C[NH2+]C[C@@H](C)CCC#N)CCCC2)CC1 ZINC000602544827 399471445 /nfs/dbraw/zinc/47/14/45/399471445.db2.gz AMHIDJHBCCJXOI-INIZCTEOSA-N 2 1 307.482 2.939 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000611438568 399476880 /nfs/dbraw/zinc/47/68/80/399476880.db2.gz AIPTYASBMXSLQD-KXBFYZLASA-N 2 1 313.445 2.852 20 30 DFEDMP C[C@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602588747 399484663 /nfs/dbraw/zinc/48/46/63/399484663.db2.gz PTINTOIHXOMAIO-WMZOPIPTSA-N 2 1 320.440 2.953 20 30 DFEDMP C[C@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602588747 399484665 /nfs/dbraw/zinc/48/46/65/399484665.db2.gz PTINTOIHXOMAIO-WMZOPIPTSA-N 2 1 320.440 2.953 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602635458 399498580 /nfs/dbraw/zinc/49/85/80/399498580.db2.gz FJPGVAKJGMENFU-HKUYNNGSSA-N 2 1 315.461 2.807 20 30 DFEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602635458 399498582 /nfs/dbraw/zinc/49/85/82/399498582.db2.gz FJPGVAKJGMENFU-HKUYNNGSSA-N 2 1 315.461 2.807 20 30 DFEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156585108 197125370 /nfs/dbraw/zinc/12/53/70/197125370.db2.gz QQHGEXLPIGKSFC-SFHVURJKSA-N 2 1 315.461 2.991 20 30 DFEDMP N#Cc1ccc(F)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602846402 399600599 /nfs/dbraw/zinc/60/05/99/399600599.db2.gz PMDBXWFJODYYFL-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP N#Cc1ccc(F)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602846402 399600603 /nfs/dbraw/zinc/60/06/03/399600603.db2.gz PMDBXWFJODYYFL-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000624357715 399653196 /nfs/dbraw/zinc/65/31/96/399653196.db2.gz CMUYTUUHQZPDMV-HNNXBMFYSA-N 2 1 313.401 2.561 20 30 DFEDMP CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000613044429 399784065 /nfs/dbraw/zinc/78/40/65/399784065.db2.gz FLZHZQCFASIKEI-KRWDZBQOSA-N 2 1 301.434 2.943 20 30 DFEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000245444801 146072579 /nfs/dbraw/zinc/07/25/79/146072579.db2.gz YIHJPSJJVCMKLH-DOTOQJQBSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000245444801 146072583 /nfs/dbraw/zinc/07/25/83/146072583.db2.gz YIHJPSJJVCMKLH-DOTOQJQBSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000245444801 146072585 /nfs/dbraw/zinc/07/25/85/146072585.db2.gz YIHJPSJJVCMKLH-DOTOQJQBSA-N 2 1 301.434 2.599 20 30 DFEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019896 /nfs/dbraw/zinc/01/98/96/196019896.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019898 /nfs/dbraw/zinc/01/98/98/196019898.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 2 1 313.445 2.743 20 30 DFEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129113760 196019900 /nfs/dbraw/zinc/01/99/00/196019900.db2.gz QIJPNKVLDVVOMH-HKUYNNGSSA-N 2 1 313.445 2.743 20 30 DFEDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(C#N)c1 ZINC000349342104 266123150 /nfs/dbraw/zinc/12/31/50/266123150.db2.gz DIANYFJBEFMRFM-UHFFFAOYSA-N 2 1 301.434 2.875 20 30 DFEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(C#N)c1 ZINC000349342104 266123155 /nfs/dbraw/zinc/12/31/55/266123155.db2.gz DIANYFJBEFMRFM-UHFFFAOYSA-N 2 1 301.434 2.875 20 30 DFEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158878987 425949877 /nfs/dbraw/zinc/94/98/77/425949877.db2.gz LOSDNZPEFFOFOC-SJORKVTESA-N 2 1 321.509 2.654 20 30 DFEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092666417 426351726 /nfs/dbraw/zinc/35/17/26/426351726.db2.gz WARUTQCQNHKZDG-HDICACEKSA-N 2 1 320.525 2.807 20 30 DFEDMP CN(CCC#N)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264571840 426573365 /nfs/dbraw/zinc/57/33/65/426573365.db2.gz XDPLJIWHLMNOPI-RBUKOAKNSA-N 2 1 312.461 2.753 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000264571840 426573372 /nfs/dbraw/zinc/57/33/72/426573372.db2.gz XDPLJIWHLMNOPI-RBUKOAKNSA-N 2 1 312.461 2.753 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC000179090838 426750231 /nfs/dbraw/zinc/75/02/31/426750231.db2.gz OXRALQQHVHIXJM-VQIMIIECSA-N 2 1 315.461 2.785 20 30 DFEDMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1C#N ZINC000281709208 426750504 /nfs/dbraw/zinc/75/05/04/426750504.db2.gz OJSIYCAHNTZPPU-UHFFFAOYSA-N 2 1 301.434 2.919 20 30 DFEDMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2)Cc2ccccc2C1 ZINC000267417947 426880904 /nfs/dbraw/zinc/88/09/04/426880904.db2.gz JTSCBNUJPDVMMG-UHFFFAOYSA-N 2 1 308.429 2.512 20 30 DFEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262453949 427358895 /nfs/dbraw/zinc/35/88/95/427358895.db2.gz WMIPJJUJIGBSFQ-HNNXBMFYSA-N 2 1 314.477 2.880 20 30 DFEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)N1 ZINC000262679403 427367522 /nfs/dbraw/zinc/36/75/22/427367522.db2.gz VLIJGVUBFFRBSO-XHSDSOJGSA-N 2 1 314.477 2.602 20 30 DFEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC(C)(C)C ZINC000263280018 427452505 /nfs/dbraw/zinc/45/25/05/427452505.db2.gz ZVIBVKZZGHHMIT-CYBMUJFWSA-N 2 1 308.495 2.849 20 30 DFEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264114744 427660195 /nfs/dbraw/zinc/66/01/95/427660195.db2.gz SBEWWCKSOPRCFH-KBPBESRZSA-N 2 1 308.495 2.663 20 30 DFEDMP C=CCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200867 427728360 /nfs/dbraw/zinc/72/83/60/427728360.db2.gz JMMBGWOZYZKZCI-RTBURBONSA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200867 427728364 /nfs/dbraw/zinc/72/83/64/427728364.db2.gz JMMBGWOZYZKZCI-RTBURBONSA-N 2 1 300.446 2.643 20 30 DFEDMP C=CCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200867 427728366 /nfs/dbraw/zinc/72/83/66/427728366.db2.gz JMMBGWOZYZKZCI-RTBURBONSA-N 2 1 300.446 2.643 20 30 DFEDMP COc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)ccc1C#N ZINC000303987135 427910601 /nfs/dbraw/zinc/91/06/01/427910601.db2.gz KNMTUVDXBIISCH-UHFFFAOYSA-N 2 1 309.413 2.918 20 30 DFEDMP COc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)ccc1C#N ZINC000303987135 427910604 /nfs/dbraw/zinc/91/06/04/427910604.db2.gz KNMTUVDXBIISCH-UHFFFAOYSA-N 2 1 309.413 2.918 20 30 DFEDMP C=C(CC)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358849690 428703335 /nfs/dbraw/zinc/70/33/35/428703335.db2.gz AOALAZGYLVOBRE-IRXDYDNUSA-N 2 1 310.482 2.543 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000375889358 429007932 /nfs/dbraw/zinc/00/79/32/429007932.db2.gz OPSVWIFEGFBUPY-ICSRJNTNSA-N 2 1 324.472 2.743 20 30 DFEDMP C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000453371758 429146402 /nfs/dbraw/zinc/14/64/02/429146402.db2.gz UVPWPKPACQGKDM-UAFMIMERSA-N 2 1 314.473 2.814 20 30 DFEDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000488167045 429177364 /nfs/dbraw/zinc/17/73/64/429177364.db2.gz JMJXXIPFZKKHNB-CEXWTWQISA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C#N ZINC000488167045 429177367 /nfs/dbraw/zinc/17/73/67/429177367.db2.gz JMJXXIPFZKKHNB-CEXWTWQISA-N 2 1 313.445 2.550 20 30 DFEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CCO1 ZINC000442798287 429236824 /nfs/dbraw/zinc/23/68/24/429236824.db2.gz YJUABHKVVWFSQO-MDZRGWNJSA-N 2 1 313.445 2.689 20 30 DFEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CCO1 ZINC000442798287 429236830 /nfs/dbraw/zinc/23/68/30/429236830.db2.gz YJUABHKVVWFSQO-MDZRGWNJSA-N 2 1 313.445 2.689 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000491071882 429322634 /nfs/dbraw/zinc/32/26/34/429322634.db2.gz OEKWAWCESKXXOH-HNNXBMFYSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000491071882 429322637 /nfs/dbraw/zinc/32/26/37/429322637.db2.gz OEKWAWCESKXXOH-HNNXBMFYSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491209555 429335363 /nfs/dbraw/zinc/33/53/63/429335363.db2.gz IQVQAZAAEDQTAZ-KRWDZBQOSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491209555 429335368 /nfs/dbraw/zinc/33/53/68/429335368.db2.gz IQVQAZAAEDQTAZ-KRWDZBQOSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000491454410 429363019 /nfs/dbraw/zinc/36/30/19/429363019.db2.gz YPMLBLYXMHLVPG-KRWDZBQOSA-N 2 1 313.470 2.972 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000491454410 429363023 /nfs/dbraw/zinc/36/30/23/429363023.db2.gz YPMLBLYXMHLVPG-KRWDZBQOSA-N 2 1 313.470 2.972 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449517046 429441533 /nfs/dbraw/zinc/44/15/33/429441533.db2.gz DNWKYJYJUXXLTK-AITUJVMLSA-N 2 1 300.446 2.830 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449517054 429442249 /nfs/dbraw/zinc/44/22/49/429442249.db2.gz DNWKYJYJUXXLTK-KANFNMMFSA-N 2 1 300.446 2.830 20 30 DFEDMP C=CCc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314473 430104783 /nfs/dbraw/zinc/10/47/83/430104783.db2.gz UXZNGTVIYYLTHM-WMLDXEAASA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314473 430104785 /nfs/dbraw/zinc/10/47/85/430104785.db2.gz UXZNGTVIYYLTHM-WMLDXEAASA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314473 430104788 /nfs/dbraw/zinc/10/47/88/430104788.db2.gz UXZNGTVIYYLTHM-WMLDXEAASA-N 2 1 318.461 2.901 20 30 DFEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(OC)c1O ZINC000576314473 430104790 /nfs/dbraw/zinc/10/47/90/430104790.db2.gz UXZNGTVIYYLTHM-WMLDXEAASA-N 2 1 318.461 2.901 20 30 DFEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)oc1C ZINC000562523434 430141808 /nfs/dbraw/zinc/14/18/08/430141808.db2.gz YJQIFSKKBUREDJ-DLBZAZTESA-N 2 1 316.449 2.785 20 30 DFEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOCCC#N)C2)s1 ZINC000568752610 430387284 /nfs/dbraw/zinc/38/72/84/430387284.db2.gz GUZJSYQYBRHAFI-MRXNPFEDSA-N 2 1 321.490 2.741 20 30 DFEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOCCC#N)C2)s1 ZINC000568752610 430387286 /nfs/dbraw/zinc/38/72/86/430387286.db2.gz GUZJSYQYBRHAFI-MRXNPFEDSA-N 2 1 321.490 2.741 20 30 DFEDMP C=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655702068 431088971 /nfs/dbraw/zinc/08/89/71/431088971.db2.gz PIZSPXIEMADBPH-IBGZPJMESA-N 2 1 300.446 2.933 20 30 DFEDMP C=C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655702069 431089209 /nfs/dbraw/zinc/08/92/09/431089209.db2.gz PIZSPXIEMADBPH-LJQANCHMSA-N 2 1 300.446 2.933 20 30 DFEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CCC[NH2+]1 ZINC000662728705 431175251 /nfs/dbraw/zinc/17/52/51/431175251.db2.gz AYTHFKRUXVRTSJ-QFBILLFUSA-N 2 1 321.509 2.702 20 30 DFEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000067452638 288159948 /nfs/dbraw/zinc/15/99/48/288159948.db2.gz XDUXVCJCJOROMU-IYBDPMFKSA-N 2 1 301.434 2.537 20 30 DFEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc(OC)c1O ZINC000647498400 431610474 /nfs/dbraw/zinc/61/04/74/431610474.db2.gz GNWZBTMQQJTHRS-GOEBONIOSA-N 2 1 304.434 2.689 20 30 DFEDMP C=CCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc(OC)c1O ZINC000647498400 431610480 /nfs/dbraw/zinc/61/04/80/431610480.db2.gz GNWZBTMQQJTHRS-GOEBONIOSA-N 2 1 304.434 2.689 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154264561 295295925 /nfs/dbraw/zinc/29/59/25/295295925.db2.gz KTQMKBALFFWPEV-MRXNPFEDSA-N 2 1 301.434 2.731 20 30 DFEDMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccc(C#N)cc1 ZINC000566104022 302259845 /nfs/dbraw/zinc/25/98/45/302259845.db2.gz WYSQGGUXIXNFHU-CYBMUJFWSA-N 2 1 310.401 2.864 20 30 DFEDMP COc1ccccc1[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCCC1 ZINC000104155169 332244149 /nfs/dbraw/zinc/24/41/49/332244149.db2.gz ALRUIRVMWLZNGV-HNNXBMFYSA-N 2 1 318.465 2.535 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000237819037 332392012 /nfs/dbraw/zinc/39/20/12/332392012.db2.gz SGKQMJSSXARXLB-UHFFFAOYSA-N 2 1 301.434 2.945 20 30 DFEDMP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccccn1 ZINC000170906578 333042170 /nfs/dbraw/zinc/04/21/70/333042170.db2.gz NTQQLZSKBMCBGV-ZDUSSCGKSA-N 2 1 315.446 2.707 20 30 DFEDMP C[C@H](CCNC(=[NH2+])Nc1ccccn1)[N@@H+](C)Cc1ccccc1 ZINC000176968778 333123050 /nfs/dbraw/zinc/12/30/50/333123050.db2.gz OYVUXBASYHMBNM-OAHLLOKOSA-N 2 1 311.433 2.719 20 30 DFEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N(C)C2CC2)c2cccs2)CC1 ZINC000262236333 333851594 /nfs/dbraw/zinc/85/15/94/333851594.db2.gz NDSFDZOZAZDBJD-OAHLLOKOSA-N 2 1 320.506 2.930 20 30 DFEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000414309699 333937241 /nfs/dbraw/zinc/93/72/41/333937241.db2.gz VKZXSYNNWLIRKY-IBGZPJMESA-N 2 1 302.462 2.874 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264125656 333953133 /nfs/dbraw/zinc/95/31/33/333953133.db2.gz SEXRMZKVCZIQIY-ZBFHGGJFSA-N 2 1 318.465 2.535 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000294532639 334210684 /nfs/dbraw/zinc/21/06/84/334210684.db2.gz ADRITLUHLIKDRY-UHFFFAOYSA-N 2 1 309.457 2.935 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000294532639 334210686 /nfs/dbraw/zinc/21/06/86/334210686.db2.gz ADRITLUHLIKDRY-UHFFFAOYSA-N 2 1 309.457 2.935 20 30 DFEDMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000329822654 336086299 /nfs/dbraw/zinc/08/62/99/336086299.db2.gz HGZQQNYLOHIXOR-DZGCQCFKSA-N 2 1 304.438 2.836 20 30 DFEDMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000329822654 336086301 /nfs/dbraw/zinc/08/63/01/336086301.db2.gz HGZQQNYLOHIXOR-DZGCQCFKSA-N 2 1 304.438 2.836 20 30 DFEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422128 336217675 /nfs/dbraw/zinc/21/76/75/336217675.db2.gz HCTQNPUWESKTBR-AQNXPRMDSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422128 336217676 /nfs/dbraw/zinc/21/76/76/336217676.db2.gz HCTQNPUWESKTBR-AQNXPRMDSA-N 2 1 314.473 2.767 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422128 336217677 /nfs/dbraw/zinc/21/76/77/336217677.db2.gz HCTQNPUWESKTBR-AQNXPRMDSA-N 2 1 314.473 2.767 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858940 337062741 /nfs/dbraw/zinc/06/27/41/337062741.db2.gz DIAGSXDKQVFXPW-NVXWUHKLSA-N 2 1 324.428 2.868 20 30 DFEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377858940 337062742 /nfs/dbraw/zinc/06/27/42/337062742.db2.gz DIAGSXDKQVFXPW-NVXWUHKLSA-N 2 1 324.428 2.868 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCOCC3)CC1 ZINC000186326364 337255406 /nfs/dbraw/zinc/25/54/06/337255406.db2.gz YJOVULARSAGQNP-ROUUACIJSA-N 2 1 322.493 2.591 20 30 DFEDMP C=CCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193450877 337326598 /nfs/dbraw/zinc/32/65/98/337326598.db2.gz ZAXKAINENOKJQL-DFNIBXOVSA-N 2 1 305.510 2.976 20 30 DFEDMP C=CCCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000556249075 341499176 /nfs/dbraw/zinc/49/91/76/341499176.db2.gz ISSXPBPOUYJTEV-QZTJIDSGSA-N 2 1 324.509 2.933 20 30 DFEDMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645755 214299677 /nfs/dbraw/zinc/29/96/77/214299677.db2.gz SMHVLGDYAJQXHL-CVEARBPZSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000278645755 214299680 /nfs/dbraw/zinc/29/96/80/214299680.db2.gz SMHVLGDYAJQXHL-CVEARBPZSA-N 2 1 301.434 2.710 20 30 DFEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000310094636 231109073 /nfs/dbraw/zinc/10/90/73/231109073.db2.gz UIBOVIRYICDFDT-SFHVURJKSA-N 2 1 322.456 2.899 20 30 DFEDMP C=CC[C@@H](CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000516660657 398358610 /nfs/dbraw/zinc/35/86/10/398358610.db2.gz ATUMCIYTMXUVCI-QGZVFWFLSA-N 2 1 321.509 2.654 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000066243176 398363893 /nfs/dbraw/zinc/36/38/93/398363893.db2.gz LXBJLJHYEDKTEV-OAHLLOKOSA-N 2 1 300.450 2.651 20 30 DFEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592061109 398378610 /nfs/dbraw/zinc/37/86/10/398378610.db2.gz WIXAGFMNDLWACU-UHFFFAOYSA-N 2 1 300.450 2.897 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592061109 398378613 /nfs/dbraw/zinc/37/86/13/398378613.db2.gz WIXAGFMNDLWACU-UHFFFAOYSA-N 2 1 300.450 2.897 20 30 DFEDMP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727054 398443067 /nfs/dbraw/zinc/44/30/67/398443067.db2.gz BAAXKFZNVYSLTL-SJLPKXTDSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727054 398443070 /nfs/dbraw/zinc/44/30/70/398443070.db2.gz BAAXKFZNVYSLTL-SJLPKXTDSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](CCC#N)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000585727054 398443074 /nfs/dbraw/zinc/44/30/74/398443074.db2.gz BAAXKFZNVYSLTL-SJLPKXTDSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](CCC#N)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000585727054 398443077 /nfs/dbraw/zinc/44/30/77/398443077.db2.gz BAAXKFZNVYSLTL-SJLPKXTDSA-N 2 1 300.450 2.775 20 30 DFEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786139 398673692 /nfs/dbraw/zinc/67/36/92/398673692.db2.gz BXYPZJZTNGMFGF-KRWDZBQOSA-N 2 1 323.525 2.852 20 30 DFEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000593950932 398707253 /nfs/dbraw/zinc/70/72/53/398707253.db2.gz CTWLCARTOSTDFY-UHFFFAOYSA-N 2 1 314.389 2.949 20 30 DFEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000593950932 398707256 /nfs/dbraw/zinc/70/72/56/398707256.db2.gz CTWLCARTOSTDFY-UHFFFAOYSA-N 2 1 314.389 2.949 20 30 DFEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000595513708 398954625 /nfs/dbraw/zinc/95/46/25/398954625.db2.gz ZWVSWHDLNAGMHL-UHFFFAOYSA-N 2 1 309.498 2.779 20 30 DFEDMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000599334480 398955749 /nfs/dbraw/zinc/95/57/49/398955749.db2.gz FYHZXIKSKMLNRU-CEXWTWQISA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000599334480 398955750 /nfs/dbraw/zinc/95/57/50/398955750.db2.gz FYHZXIKSKMLNRU-CEXWTWQISA-N 2 1 313.445 2.550 20 30 DFEDMP C[N@H+]1CCCC[C@@H]1CCN1CCN(c2ccsc2C#N)CC1 ZINC000595632969 399011479 /nfs/dbraw/zinc/01/14/79/399011479.db2.gz RMMPBLOSXHGUQW-OAHLLOKOSA-N 2 1 318.490 2.616 20 30 DFEDMP Cn1c[nH+]cc1CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768874 399077318 /nfs/dbraw/zinc/07/73/18/399077318.db2.gz LAMPLHLXIRHBTN-UHFFFAOYSA-N 2 1 324.428 2.520 20 30 DFEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179242988 399128611 /nfs/dbraw/zinc/12/86/11/399128611.db2.gz HCERLLDXYUGKBW-WFASDCNBSA-N 2 1 324.831 2.562 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907513 399130602 /nfs/dbraw/zinc/13/06/02/399130602.db2.gz WNEIDRSCZXYPRX-MAUKXSAKSA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907513 399130604 /nfs/dbraw/zinc/13/06/04/399130604.db2.gz WNEIDRSCZXYPRX-MAUKXSAKSA-N 2 1 301.434 2.662 20 30 DFEDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000618567991 399161366 /nfs/dbraw/zinc/16/13/66/399161366.db2.gz FXPVIRAGXLYLFK-MOPGFXCFSA-N 2 1 315.461 2.692 20 30 DFEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccnc(C#N)c3)C1)CCCC2 ZINC000614742727 399265377 /nfs/dbraw/zinc/26/53/77/399265377.db2.gz TTWVXFQSRGKHGQ-QGZVFWFLSA-N 2 1 321.428 2.784 20 30 DFEDMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccnc(C#N)c3)C1)CCCC2 ZINC000614742727 399265381 /nfs/dbraw/zinc/26/53/81/399265381.db2.gz TTWVXFQSRGKHGQ-QGZVFWFLSA-N 2 1 321.428 2.784 20 30 DFEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)CC1 ZINC000602665057 399509787 /nfs/dbraw/zinc/50/97/87/399509787.db2.gz YIFGFZBOEUPXCL-HNNXBMFYSA-N 2 1 301.409 2.861 20 30 DFEDMP C[C@@H]1CCSCC[NH+]1CC#CC[N@@H+]1CCSCC[C@@H]1C ZINC000625368550 399535908 /nfs/dbraw/zinc/53/59/08/399535908.db2.gz BJCMZTPIBOKVML-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP C[C@@H]1CCSCC[N@H+]1CC#CC[NH+]1CCSCC[C@@H]1C ZINC000625368550 399535913 /nfs/dbraw/zinc/53/59/13/399535913.db2.gz BJCMZTPIBOKVML-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP C[C@@H]1CCSCC[N@@H+]1CC#CC[NH+]1CCSCC[C@@H]1C ZINC000625368550 399535916 /nfs/dbraw/zinc/53/59/16/399535916.db2.gz BJCMZTPIBOKVML-IYBDPMFKSA-N 2 1 312.548 2.645 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715912 399535481 /nfs/dbraw/zinc/53/54/81/399535481.db2.gz PVGZMACMUCKONQ-WMZOPIPTSA-N 2 1 319.493 2.797 20 30 DFEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000156493462 197118026 /nfs/dbraw/zinc/11/80/26/197118026.db2.gz FXBQNLVGBKZHRK-SFHVURJKSA-N 2 1 313.445 2.745 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000156499122 197117860 /nfs/dbraw/zinc/11/78/60/197117860.db2.gz PODUJSCRIHYVEO-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000156499122 197117861 /nfs/dbraw/zinc/11/78/61/197117861.db2.gz PODUJSCRIHYVEO-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP C[NH+](CCCOc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000156499122 197117862 /nfs/dbraw/zinc/11/78/62/197117862.db2.gz PODUJSCRIHYVEO-QGZVFWFLSA-N 2 1 301.434 2.601 20 30 DFEDMP Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000602846815 399599939 /nfs/dbraw/zinc/59/99/39/399599939.db2.gz HOWKPALEURRKMX-UHFFFAOYSA-N 2 1 306.413 2.974 20 30 DFEDMP N#Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000602847207 399600812 /nfs/dbraw/zinc/60/08/12/399600812.db2.gz UMMKXQADFXHCSR-UHFFFAOYSA-N 2 1 310.376 2.805 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000624357716 399652976 /nfs/dbraw/zinc/65/29/76/399652976.db2.gz CMUYTUUHQZPDMV-OAHLLOKOSA-N 2 1 313.401 2.561 20 30 DFEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000289175694 335060599 /nfs/dbraw/zinc/06/05/99/335060599.db2.gz FPGIIWIWVVXVSI-UHFFFAOYSA-N 2 1 320.436 2.790 20 30 DFEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246034301 146115896 /nfs/dbraw/zinc/11/58/96/146115896.db2.gz ODICQUWUNIEKPI-MOPGFXCFSA-N 2 1 313.445 2.542 20 30 DFEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000246034301 146115900 /nfs/dbraw/zinc/11/59/00/146115900.db2.gz ODICQUWUNIEKPI-MOPGFXCFSA-N 2 1 313.445 2.542 20 30 DFEDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352851695 267656634 /nfs/dbraw/zinc/65/66/34/267656634.db2.gz IUOGMXGVHHISLR-UHFFFAOYSA-N 2 1 308.307 2.872 20 30 DFEDMP C[N@H+](CCOc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860410 426087888 /nfs/dbraw/zinc/08/78/88/426087888.db2.gz IYGXYKKQQMHWPA-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[N@@H+](CCOc1ccc(C#N)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860410 426087890 /nfs/dbraw/zinc/08/78/90/426087890.db2.gz IYGXYKKQQMHWPA-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccc(C#N)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860410 426087892 /nfs/dbraw/zinc/08/78/92/426087892.db2.gz IYGXYKKQQMHWPA-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP C[NH+](CCOc1ccc(C#N)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860410 426087895 /nfs/dbraw/zinc/08/78/95/426087895.db2.gz IYGXYKKQQMHWPA-KRWDZBQOSA-N 2 1 301.434 2.743 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000177702359 426507623 /nfs/dbraw/zinc/50/76/23/426507623.db2.gz PODKJDYKWGICNK-PBHICJAKSA-N 2 1 321.490 2.846 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000177702359 426507628 /nfs/dbraw/zinc/50/76/28/426507628.db2.gz PODKJDYKWGICNK-PBHICJAKSA-N 2 1 321.490 2.846 20 30 DFEDMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000264176204 426510593 /nfs/dbraw/zinc/51/05/93/426510593.db2.gz XCUQUPBZCSJZGJ-UHFFFAOYSA-N 2 1 301.434 2.894 20 30 DFEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000264176204 426510600 /nfs/dbraw/zinc/51/06/00/426510600.db2.gz XCUQUPBZCSJZGJ-UHFFFAOYSA-N 2 1 301.434 2.894 20 30 DFEDMP COc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000264142163 426505366 /nfs/dbraw/zinc/50/53/66/426505366.db2.gz WURSCUUQPSPNKT-MRXNPFEDSA-N 2 1 318.465 2.535 20 30 DFEDMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1C#N ZINC000281852252 426778656 /nfs/dbraw/zinc/77/86/56/426778656.db2.gz ZIZOAWGTFTVAQJ-MRXNPFEDSA-N 2 1 301.434 2.777 20 30 DFEDMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC000281852252 426778660 /nfs/dbraw/zinc/77/86/60/426778660.db2.gz ZIZOAWGTFTVAQJ-MRXNPFEDSA-N 2 1 301.434 2.777 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000329520214 427133895 /nfs/dbraw/zinc/13/38/95/427133895.db2.gz OIFALHPSMYUMRP-YCPHGPKFSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000329520214 427133901 /nfs/dbraw/zinc/13/39/01/427133901.db2.gz OIFALHPSMYUMRP-YCPHGPKFSA-N 2 1 318.465 2.831 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191281824 427309210 /nfs/dbraw/zinc/30/92/10/427309210.db2.gz XIRFKLHGLKIRJS-IAGOWNOFSA-N 2 1 314.477 2.983 20 30 DFEDMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285771097 427336027 /nfs/dbraw/zinc/33/60/27/427336027.db2.gz SUZSNRIBUNIVRL-INIZCTEOSA-N 2 1 314.477 2.847 20 30 DFEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262271489 427354971 /nfs/dbraw/zinc/35/49/71/427354971.db2.gz IKXIKPSEQKVWHG-GFCCVEGCSA-N 2 1 310.392 2.669 20 30 DFEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000262529620 427361550 /nfs/dbraw/zinc/36/15/50/427361550.db2.gz MTZLVQJLDPITHN-ZFWWWQNUSA-N 2 1 308.495 2.610 20 30 DFEDMP C[NH+]=C(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)NC(C)(C)C ZINC000263266745 427449094 /nfs/dbraw/zinc/44/90/94/427449094.db2.gz VLBBXDJHVCKIPH-AWEZNQCLSA-N 2 1 306.454 2.688 20 30 DFEDMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286112232 427426512 /nfs/dbraw/zinc/42/65/12/427426512.db2.gz NTNMLYBFPBKBNP-UHFFFAOYSA-N 2 1 323.444 2.712 20 30 DFEDMP C[NH+]=C(NCCCC[N@H+]1CCCC[C@@H]1C)NCc1ccco1 ZINC000264040349 427640097 /nfs/dbraw/zinc/64/00/97/427640097.db2.gz IJFXIOKMSCFZTE-HNNXBMFYSA-N 2 1 306.454 2.599 20 30 DFEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264090168 427654125 /nfs/dbraw/zinc/65/41/25/427654125.db2.gz KVFWGNLGSUKVDU-SFHVURJKSA-N 2 1 316.493 2.501 20 30 DFEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264099045 427655022 /nfs/dbraw/zinc/65/50/22/427655022.db2.gz NPYBFYWJGGJDQG-LLVKDONJSA-N 2 1 303.385 2.523 20 30 DFEDMP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000264125426 427662909 /nfs/dbraw/zinc/66/29/09/427662909.db2.gz RZWQNUFJKOKUPZ-QGZVFWFLSA-N 2 1 320.481 2.735 20 30 DFEDMP C=C(C)COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC000299478472 427765558 /nfs/dbraw/zinc/76/55/58/427765558.db2.gz BANGLENHSOMSOX-UHFFFAOYSA-N 2 1 315.417 2.945 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000337170417 427808580 /nfs/dbraw/zinc/80/85/80/427808580.db2.gz CTSJPLAOJQIFRW-SJORKVTESA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000337170417 427808581 /nfs/dbraw/zinc/80/85/81/427808581.db2.gz CTSJPLAOJQIFRW-SJORKVTESA-N 2 1 307.482 2.749 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000337170417 427808582 /nfs/dbraw/zinc/80/85/82/427808582.db2.gz CTSJPLAOJQIFRW-SJORKVTESA-N 2 1 307.482 2.749 20 30 DFEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377408161 428124830 /nfs/dbraw/zinc/12/48/30/428124830.db2.gz DYAFVCUNGJPTRS-JWTNVVGKSA-N 2 1 313.445 2.884 20 30 DFEDMP C[NH+](CCCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377408161 428124834 /nfs/dbraw/zinc/12/48/34/428124834.db2.gz DYAFVCUNGJPTRS-JWTNVVGKSA-N 2 1 313.445 2.884 20 30 DFEDMP C[NH+](CCCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377408161 428124839 /nfs/dbraw/zinc/12/48/39/428124839.db2.gz DYAFVCUNGJPTRS-JWTNVVGKSA-N 2 1 313.445 2.884 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341882228 428240441 /nfs/dbraw/zinc/24/04/41/428240441.db2.gz GPHSVDNPFPAGBS-YTQUADARSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341882228 428240450 /nfs/dbraw/zinc/24/04/50/428240450.db2.gz GPHSVDNPFPAGBS-YTQUADARSA-N 2 1 302.462 2.814 20 30 DFEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360833327 428455848 /nfs/dbraw/zinc/45/58/48/428455848.db2.gz HDYPNCUVEZVYRB-LJQANCHMSA-N 2 1 315.461 2.884 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347178156 428483098 /nfs/dbraw/zinc/48/30/98/428483098.db2.gz SGKJEOVGFSETKU-MRXNPFEDSA-N 2 1 304.434 2.691 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347178156 428483103 /nfs/dbraw/zinc/48/31/03/428483103.db2.gz SGKJEOVGFSETKU-MRXNPFEDSA-N 2 1 304.434 2.691 20 30 DFEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000373184648 428521662 /nfs/dbraw/zinc/52/16/62/428521662.db2.gz FODYWFYFWNWUMR-XDNAFOTISA-N 2 1 316.449 2.801 20 30 DFEDMP C=C(CC)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000358494408 428604374 /nfs/dbraw/zinc/60/43/74/428604374.db2.gz FQROMSPSYUHSMM-UHFFFAOYSA-N 2 1 301.478 2.702 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348121816 428639044 /nfs/dbraw/zinc/63/90/44/428639044.db2.gz RRVFNAPWCORYMK-KGLIPLIRSA-N 2 1 306.372 2.726 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000420309417 428955339 /nfs/dbraw/zinc/95/53/39/428955339.db2.gz LJNFNNZBEMNWPL-MRXNPFEDSA-N 2 1 303.450 2.534 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000363616711 428955404 /nfs/dbraw/zinc/95/54/04/428955404.db2.gz NJJQYEROMWDUCS-IRXDYDNUSA-N 2 1 316.445 2.976 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363616711 428955409 /nfs/dbraw/zinc/95/54/09/428955409.db2.gz NJJQYEROMWDUCS-IRXDYDNUSA-N 2 1 316.445 2.976 20 30 DFEDMP C=CC[N@H+](CCc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420322140 428956723 /nfs/dbraw/zinc/95/67/23/428956723.db2.gz SCGKYNUBZLWOLM-SFTDATJTSA-N 2 1 324.468 2.648 20 30 DFEDMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000488167049 429177207 /nfs/dbraw/zinc/17/72/07/429177207.db2.gz JMJXXIPFZKKHNB-GUDVDZBRSA-N 2 1 313.445 2.550 20 30 DFEDMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C#N ZINC000488167049 429177212 /nfs/dbraw/zinc/17/72/12/429177212.db2.gz JMJXXIPFZKKHNB-GUDVDZBRSA-N 2 1 313.445 2.550 20 30 DFEDMP C=C(C)C(C)(C)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000424896371 429206295 /nfs/dbraw/zinc/20/62/95/429206295.db2.gz UJMSPOWPWUHOFP-UHFFFAOYSA-N 2 1 321.509 2.607 20 30 DFEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495306716 429198475 /nfs/dbraw/zinc/19/84/75/429198475.db2.gz IFQXDDKIPGUEMU-UHFFFAOYSA-N 2 1 311.470 2.530 20 30 DFEDMP Cc1cc(NCCC[N@H+]2CCc3ccccc3C2)c(C#N)cn1 ZINC000425210838 429247256 /nfs/dbraw/zinc/24/72/56/429247256.db2.gz VYFKHPCIXALKLV-UHFFFAOYSA-N 2 1 306.413 2.544 20 30 DFEDMP C[N@H+]1CC[C@]2(CCN(Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535210 429471368 /nfs/dbraw/zinc/47/13/68/429471368.db2.gz NJIRNUIFLLPPFF-IBGZPJMESA-N 2 1 313.445 2.897 20 30 DFEDMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535210 429471373 /nfs/dbraw/zinc/47/13/73/429471373.db2.gz NJIRNUIFLLPPFF-IBGZPJMESA-N 2 1 313.445 2.897 20 30 DFEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535210 429471375 /nfs/dbraw/zinc/47/13/75/429471375.db2.gz NJIRNUIFLLPPFF-IBGZPJMESA-N 2 1 313.445 2.897 20 30 DFEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000366535210 429471379 /nfs/dbraw/zinc/47/13/79/429471379.db2.gz NJIRNUIFLLPPFF-IBGZPJMESA-N 2 1 313.445 2.897 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528384845 429882687 /nfs/dbraw/zinc/88/26/87/429882687.db2.gz XSDOEWNSSZPBIC-FGTMMUONSA-N 2 1 319.493 2.628 20 30 DFEDMP C[C@H](NC[C@@H](C#N)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562282233 430116482 /nfs/dbraw/zinc/11/64/82/430116482.db2.gz CIQNLXWTINHEPP-UHOSZYNNSA-N 2 1 310.445 2.930 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000567678860 430286919 /nfs/dbraw/zinc/28/69/19/430286919.db2.gz CDHWBZDCICQLLW-UHFFFAOYSA-N 2 1 319.424 2.784 20 30 DFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000651720211 430857640 /nfs/dbraw/zinc/85/76/40/430857640.db2.gz TVEJMSYXZYHSEC-RLLQIKCJSA-N 2 1 314.473 2.958 20 30 DFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000651720211 430857645 /nfs/dbraw/zinc/85/76/45/430857645.db2.gz TVEJMSYXZYHSEC-RLLQIKCJSA-N 2 1 314.473 2.958 20 30 DFEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000649336933 431069444 /nfs/dbraw/zinc/06/94/44/431069444.db2.gz PMKXOJKDTHYTMJ-PMACEKPBSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649336933 431069447 /nfs/dbraw/zinc/06/94/47/431069447.db2.gz PMKXOJKDTHYTMJ-PMACEKPBSA-N 2 1 314.473 2.912 20 30 DFEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000649336933 431069448 /nfs/dbraw/zinc/06/94/48/431069448.db2.gz PMKXOJKDTHYTMJ-PMACEKPBSA-N 2 1 314.473 2.912 20 30 DFEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CCC[NH2+]1 ZINC000662728702 431175211 /nfs/dbraw/zinc/17/52/11/431175211.db2.gz AYTHFKRUXVRTSJ-APWZRJJASA-N 2 1 321.509 2.702 20 30 DFEDMP C=CCc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(OC)c1O ZINC000666997002 431437517 /nfs/dbraw/zinc/43/75/17/431437517.db2.gz QWYBWXLFBYMYEE-INIZCTEOSA-N 2 1 316.445 2.894 20 30 DFEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498286 431607375 /nfs/dbraw/zinc/60/73/75/431607375.db2.gz DNZPJYAJTGEZCW-JKSUJKDBSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498286 431607383 /nfs/dbraw/zinc/60/73/83/431607383.db2.gz DNZPJYAJTGEZCW-JKSUJKDBSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCOCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657658832 431833426 /nfs/dbraw/zinc/83/34/26/431833426.db2.gz GILSUCAFKVFQHG-UHFFFAOYSA-N 2 1 302.462 2.876 20 30 DFEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCCCC1 ZINC000104154951 332244236 /nfs/dbraw/zinc/24/42/36/332244236.db2.gz FCKSDWWAORMFAP-HNNXBMFYSA-N 2 1 304.438 2.654 20 30 DFEDMP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000104178921 332244362 /nfs/dbraw/zinc/24/43/62/332244362.db2.gz MAXRYCOFKKOIBR-AWEZNQCLSA-N 2 1 318.465 2.932 20 30 DFEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000236902327 332244380 /nfs/dbraw/zinc/24/43/80/332244380.db2.gz PTRXDQDFBVJDDP-KRWDZBQOSA-N 2 1 301.434 2.801 20 30 DFEDMP CCCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000158078759 332555978 /nfs/dbraw/zinc/55/59/78/332555978.db2.gz FGBKYBJPXVUUMX-UHFFFAOYSA-N 2 1 323.525 2.833 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170903821 333042069 /nfs/dbraw/zinc/04/20/69/333042069.db2.gz SRSBVTAVYAIWHO-GASCZTMLSA-N 2 1 303.454 2.566 20 30 DFEDMP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccccn1 ZINC000170906581 333042234 /nfs/dbraw/zinc/04/22/34/333042234.db2.gz NTQQLZSKBMCBGV-CYBMUJFWSA-N 2 1 315.446 2.707 20 30 DFEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000170909993 333042260 /nfs/dbraw/zinc/04/22/60/333042260.db2.gz KXNQUPWYROYIDX-KRWDZBQOSA-N 2 1 323.444 2.863 20 30 DFEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])N(C)C)C1 ZINC000170912562 333042431 /nfs/dbraw/zinc/04/24/31/333042431.db2.gz LJOPUMGUMPZWPK-GASCZTMLSA-N 2 1 302.466 2.541 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539660 335124614 /nfs/dbraw/zinc/12/46/14/335124614.db2.gz AOMXJJUBJKWMGT-KRWDZBQOSA-N 2 1 301.390 2.517 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000294539660 335124616 /nfs/dbraw/zinc/12/46/16/335124616.db2.gz AOMXJJUBJKWMGT-KRWDZBQOSA-N 2 1 301.390 2.517 20 30 DFEDMP CC[C@H](CC#N)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184088209 333191778 /nfs/dbraw/zinc/19/17/78/333191778.db2.gz IJEVEVGVEYEHMV-QGZVFWFLSA-N 2 1 314.477 2.999 20 30 DFEDMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000187055993 333227222 /nfs/dbraw/zinc/22/72/22/333227222.db2.gz SNTPFYZXFNCRBT-QGZVFWFLSA-N 2 1 323.444 2.719 20 30 DFEDMP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294949883 335129221 /nfs/dbraw/zinc/12/92/21/335129221.db2.gz INGLHPGLNRKPQS-QUCCMNQESA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294949883 335129222 /nfs/dbraw/zinc/12/92/22/335129222.db2.gz INGLHPGLNRKPQS-QUCCMNQESA-N 3 1 313.489 2.584 20 30 DFEDMP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000294949883 335129223 /nfs/dbraw/zinc/12/92/23/335129223.db2.gz INGLHPGLNRKPQS-QUCCMNQESA-N 3 1 313.489 2.584 20 30 DFEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)N(C)C ZINC000364205597 333272282 /nfs/dbraw/zinc/27/22/82/333272282.db2.gz HJSZKPNAQDAPCT-GDBMZVCRSA-N 2 1 322.884 2.812 20 30 DFEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000295131574 335132551 /nfs/dbraw/zinc/13/25/51/335132551.db2.gz ZZSDUQXRVKZVCP-KRWDZBQOSA-N 2 1 310.445 2.537 20 30 DFEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000295131574 335132552 /nfs/dbraw/zinc/13/25/52/335132552.db2.gz ZZSDUQXRVKZVCP-KRWDZBQOSA-N 2 1 310.445 2.537 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414126549 333899272 /nfs/dbraw/zinc/89/92/72/333899272.db2.gz RMIFXZVULHCVOB-HNNXBMFYSA-N 2 1 303.450 2.651 20 30 DFEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275613853 334072431 /nfs/dbraw/zinc/07/24/31/334072431.db2.gz RDDQOWBFQGYKTA-KRWDZBQOSA-N 2 1 323.444 2.585 20 30 DFEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277319170 334087728 /nfs/dbraw/zinc/08/77/28/334087728.db2.gz BZVAZJCFRZQFLI-GOSISDBHSA-N 2 1 314.477 2.953 20 30 DFEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOCCC#N)CC1 ZINC000293256514 334196543 /nfs/dbraw/zinc/19/65/43/334196543.db2.gz XFVAQPAHRITXMC-UHFFFAOYSA-N 2 1 315.461 2.761 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415118136 334283845 /nfs/dbraw/zinc/28/38/45/334283845.db2.gz DRRXMKWPPYDKJU-GOEBONIOSA-N 2 1 304.434 2.677 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)C2 ZINC000329823772 336086697 /nfs/dbraw/zinc/08/66/97/336086697.db2.gz HSNPQBCMJNEITD-HNNXBMFYSA-N 2 1 318.465 2.975 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000377643407 337057333 /nfs/dbraw/zinc/05/73/33/337057333.db2.gz DMHYWRZDTAFZCR-IAGOWNOFSA-N 2 1 316.445 2.846 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000377643407 337057334 /nfs/dbraw/zinc/05/73/34/337057334.db2.gz DMHYWRZDTAFZCR-IAGOWNOFSA-N 2 1 316.445 2.846 20 30 DFEDMP C#CCOc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863219 337062838 /nfs/dbraw/zinc/06/28/38/337062838.db2.gz DHYGMYNIVBUEEH-QGZVFWFLSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863219 337062839 /nfs/dbraw/zinc/06/28/39/337062839.db2.gz DHYGMYNIVBUEEH-QGZVFWFLSA-N 2 1 309.413 2.590 20 30 DFEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000178583744 337165270 /nfs/dbraw/zinc/16/52/70/337165270.db2.gz LPVSHYVDRQOUQG-GOEBONIOSA-N 2 1 320.506 2.932 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186326385 337255365 /nfs/dbraw/zinc/25/53/65/337255365.db2.gz YJOVULARSAGQNP-QZTJIDSGSA-N 2 1 322.493 2.591 20 30 DFEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000066243183 398363869 /nfs/dbraw/zinc/36/38/69/398363869.db2.gz GOFQRPMZIMEOEX-AWEZNQCLSA-N 2 1 300.450 2.628 20 30 DFEDMP C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727055 398442734 /nfs/dbraw/zinc/44/27/34/398442734.db2.gz BAAXKFZNVYSLTL-WMZOPIPTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000585727055 398442740 /nfs/dbraw/zinc/44/27/40/398442740.db2.gz BAAXKFZNVYSLTL-WMZOPIPTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000585727055 398442743 /nfs/dbraw/zinc/44/27/43/398442743.db2.gz BAAXKFZNVYSLTL-WMZOPIPTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000585727055 398442747 /nfs/dbraw/zinc/44/27/47/398442747.db2.gz BAAXKFZNVYSLTL-WMZOPIPTSA-N 2 1 300.450 2.775 20 30 DFEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962797 290217654 /nfs/dbraw/zinc/21/76/54/290217654.db2.gz YENLYHXISIXQSF-MRXNPFEDSA-N 2 1 314.477 2.577 20 30 DFEDMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174345951 198322164 /nfs/dbraw/zinc/32/21/64/198322164.db2.gz WWHWKAMQGPFSNS-UHFFFAOYSA-N 2 1 313.401 2.772 20 30 DFEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496592 398810410 /nfs/dbraw/zinc/81/04/10/398810410.db2.gz PCDDQYHAYUEVJA-UHFFFAOYSA-N 2 1 315.461 2.688 20 30 DFEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000598621246 398842476 /nfs/dbraw/zinc/84/24/76/398842476.db2.gz SXCWTFUXCQCQGP-GOSISDBHSA-N 2 1 315.461 2.541 20 30 DFEDMP C[C@H](C[NH+]1CCC[C@@H](CC#N)C1)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619554 399004090 /nfs/dbraw/zinc/00/40/90/399004090.db2.gz DEAZYABQVKPGKI-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@H](C[NH+]1CCC[C@@H](CC#N)C1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619554 399004095 /nfs/dbraw/zinc/00/40/95/399004095.db2.gz DEAZYABQVKPGKI-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@@H](C[NH+]1CCC[C@H](CC#N)C1)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619554 399004102 /nfs/dbraw/zinc/00/41/02/399004102.db2.gz DEAZYABQVKPGKI-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@@H](C[NH+]1CCC[C@H](CC#N)C1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619554 399004109 /nfs/dbraw/zinc/00/41/09/399004109.db2.gz DEAZYABQVKPGKI-BCDXTJNWSA-N 2 1 302.466 2.874 20 30 DFEDMP N#CC[C@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620781 399006114 /nfs/dbraw/zinc/00/61/14/399006114.db2.gz QSJKQLDZWMWVSF-OEHAVNEVSA-N 2 1 300.450 2.794 20 30 DFEDMP N#CC[C@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620781 399006119 /nfs/dbraw/zinc/00/61/19/399006119.db2.gz QSJKQLDZWMWVSF-OEHAVNEVSA-N 2 1 300.450 2.794 20 30 DFEDMP N#CC[C@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620781 399006122 /nfs/dbraw/zinc/00/61/22/399006122.db2.gz QSJKQLDZWMWVSF-OEHAVNEVSA-N 2 1 300.450 2.794 20 30 DFEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250778 212224470 /nfs/dbraw/zinc/22/44/70/212224470.db2.gz GPVHVFIZGHNBOC-HZPDHXFCSA-N 2 1 303.450 2.644 20 30 DFEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275250778 212224473 /nfs/dbraw/zinc/22/44/73/212224473.db2.gz GPVHVFIZGHNBOC-HZPDHXFCSA-N 2 1 303.450 2.644 20 30 DFEDMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C#N ZINC000600711060 399120506 /nfs/dbraw/zinc/12/05/06/399120506.db2.gz QRRRKFNYUQZBGR-QXAKKESOSA-N 2 1 313.445 2.585 20 30 DFEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000595895931 399127033 /nfs/dbraw/zinc/12/70/33/399127033.db2.gz WMUVYOMSAHNCRU-UXHICEINSA-N 2 1 305.425 2.775 20 30 DFEDMP C#CCSCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274896978 212018183 /nfs/dbraw/zinc/01/81/83/212018183.db2.gz KKPABDWSSOYMTJ-WMZOPIPTSA-N 2 1 302.487 2.853 20 30 DFEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC000192193877 335027377 /nfs/dbraw/zinc/02/73/77/335027377.db2.gz FGZSYCLMNQKBPN-QUCCMNQESA-N 2 1 314.473 2.765 20 30 DFEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC000192193877 335027378 /nfs/dbraw/zinc/02/73/78/335027378.db2.gz FGZSYCLMNQKBPN-QUCCMNQESA-N 2 1 314.473 2.765 20 30 DFEDMP C=CCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286231496 335030672 /nfs/dbraw/zinc/03/06/72/335030672.db2.gz ZDZCXJZCHMMJEJ-FQEVSTJZSA-N 2 1 313.489 2.845 20 30 DFEDMP C=CCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286231504 335030900 /nfs/dbraw/zinc/03/09/00/335030900.db2.gz ZDZCXJZCHMMJEJ-HXUWFJFHSA-N 2 1 313.489 2.845 20 30 DFEDMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)[nH+]1 ZINC000610993536 399425960 /nfs/dbraw/zinc/42/59/60/399425960.db2.gz WUKJGVXDFPGHGF-INIZCTEOSA-N 2 1 307.401 2.591 20 30 DFEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000602502192 399461800 /nfs/dbraw/zinc/46/18/00/399461800.db2.gz JFZLCFWXJGXONA-IRXDYDNUSA-N 2 1 307.482 2.939 20 30 DFEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C)C1 ZINC000602545733 399472448 /nfs/dbraw/zinc/47/24/48/399472448.db2.gz OJWMQFSWLXWBTC-FCCDEINASA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H]1C[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000156636335 197129157 /nfs/dbraw/zinc/12/91/57/197129157.db2.gz CFTBPQBPCSRJBN-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]1C[C@@H]([NH+](C)CCCOc2cccc(C#N)c2)CC[N@H+]1C ZINC000156636335 197129159 /nfs/dbraw/zinc/12/91/59/197129159.db2.gz CFTBPQBPCSRJBN-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]1C[C@@H]([N@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156636335 197129161 /nfs/dbraw/zinc/12/91/61/197129161.db2.gz CFTBPQBPCSRJBN-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP C[C@H]1C[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)CC[NH+]1C ZINC000156636335 197129163 /nfs/dbraw/zinc/12/91/63/197129163.db2.gz CFTBPQBPCSRJBN-RDJZCZTQSA-N 2 1 301.434 2.742 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)Cc2ccccc2)CC1 ZINC000152997808 196843062 /nfs/dbraw/zinc/84/30/62/196843062.db2.gz RVOJPBZSBHVNND-IBGZPJMESA-N 2 1 302.462 2.874 20 30 DFEDMP C=CCc1cc(C[N@H+](CC)CCC[NH+](C)C)cc(OC)c1O ZINC000289511903 335064166 /nfs/dbraw/zinc/06/41/66/335064166.db2.gz URVPRWMVZYNEQD-UHFFFAOYSA-N 2 1 306.450 2.903 20 30 DFEDMP C=CCc1cc(C[N@@H+](CC)CCC[NH+](C)C)cc(OC)c1O ZINC000289511903 335064167 /nfs/dbraw/zinc/06/41/67/335064167.db2.gz URVPRWMVZYNEQD-UHFFFAOYSA-N 2 1 306.450 2.903 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000354077878 146895469 /nfs/dbraw/zinc/89/54/69/146895469.db2.gz JRLDGTVPAIFPER-OAHLLOKOSA-N 2 1 307.463 2.552 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000361530534 149140358 /nfs/dbraw/zinc/14/03/58/149140358.db2.gz KHIJFOQRCORCDQ-HNNXBMFYSA-N 2 1 322.412 2.845 20 30 DFEDMP C=C(C)COc1cc(C[N@@H+](C)CC2CN(C)C2)ccc1OC ZINC000668539626 543820592 /nfs/dbraw/zinc/82/05/92/543820592.db2.gz FSOSKPNFGMZJDC-UHFFFAOYSA-N 2 1 304.434 2.644 20 30 DFEDMP C=C(C)COc1cc(CN(C)CC2C[NH+](C)C2)ccc1OC ZINC000668539626 543820595 /nfs/dbraw/zinc/82/05/95/543820595.db2.gz FSOSKPNFGMZJDC-UHFFFAOYSA-N 2 1 304.434 2.644 20 30 DFEDMP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)cn1 ZINC000399554416 267301823 /nfs/dbraw/zinc/30/18/23/267301823.db2.gz AULVJUZKAWOHRW-SFHVURJKSA-N 2 1 306.413 2.760 20 30 DFEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000157400814 425938198 /nfs/dbraw/zinc/93/81/98/425938198.db2.gz FNUUJPARGLHCNM-OAHLLOKOSA-N 2 1 318.465 2.790 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OCC)ccc2O)CC1 ZINC000106245202 425971733 /nfs/dbraw/zinc/97/17/33/425971733.db2.gz KTUFYRBXVYVAAF-UHFFFAOYSA-N 2 1 304.434 2.921 20 30 DFEDMP N#Cc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166555852 426128402 /nfs/dbraw/zinc/12/84/02/426128402.db2.gz YQKAISDGUWPQFZ-CEXWTWQISA-N 2 1 324.472 2.743 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873051 426247291 /nfs/dbraw/zinc/24/72/91/426247291.db2.gz XGXYQBCZRZPDAM-NVXWUHKLSA-N 2 1 302.466 2.601 20 30 DFEDMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000090004427 426324318 /nfs/dbraw/zinc/32/43/18/426324318.db2.gz JZVKOGRUUMDXEI-KRWDZBQOSA-N 2 1 311.404 2.865 20 30 DFEDMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000090004427 426324320 /nfs/dbraw/zinc/32/43/20/426324320.db2.gz JZVKOGRUUMDXEI-KRWDZBQOSA-N 2 1 311.404 2.865 20 30 DFEDMP CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289400903 426647818 /nfs/dbraw/zinc/64/78/18/426647818.db2.gz GMVUFSKJUKIDFZ-UHFFFAOYSA-N 2 1 310.445 2.980 20 30 DFEDMP CCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290659993 426813982 /nfs/dbraw/zinc/81/39/82/426813982.db2.gz NVFGDQOACNAGSR-KRWDZBQOSA-N 2 1 302.466 2.603 20 30 DFEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000329539367 427137646 /nfs/dbraw/zinc/13/76/46/427137646.db2.gz WALLWLADZKIODS-HUUCEWRRSA-N 2 1 304.438 2.585 20 30 DFEDMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000329539367 427137650 /nfs/dbraw/zinc/13/76/50/427137650.db2.gz WALLWLADZKIODS-HUUCEWRRSA-N 2 1 304.438 2.585 20 30 DFEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000329539367 427137656 /nfs/dbraw/zinc/13/76/56/427137656.db2.gz WALLWLADZKIODS-HUUCEWRRSA-N 2 1 304.438 2.585 20 30 DFEDMP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000285786705 427338439 /nfs/dbraw/zinc/33/84/39/427338439.db2.gz UKZIRGLYTLTTSX-KRWDZBQOSA-N 2 1 324.472 2.601 20 30 DFEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278999302 427527270 /nfs/dbraw/zinc/52/72/70/427527270.db2.gz RDIIZDDXPKJZDP-HZPDHXFCSA-N 2 1 309.413 2.808 20 30 DFEDMP C#CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271527499 427572607 /nfs/dbraw/zinc/57/26/07/427572607.db2.gz RJZMIVHQSUVPQS-FUHWJXTLSA-N 2 1 302.487 2.996 20 30 DFEDMP C#CCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271527499 427572615 /nfs/dbraw/zinc/57/26/15/427572615.db2.gz RJZMIVHQSUVPQS-FUHWJXTLSA-N 2 1 302.487 2.996 20 30 DFEDMP C[N@@H+](CCCOc1cccc(C#N)c1)CCC[NH+]1CCCC1 ZINC000337285024 427831967 /nfs/dbraw/zinc/83/19/67/427831967.db2.gz ZNQGTPNWUSCKNL-UHFFFAOYSA-N 2 1 301.434 2.745 20 30 DFEDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000355657272 427838307 /nfs/dbraw/zinc/83/83/07/427838307.db2.gz WHVCEPFDGCTLKC-UHFFFAOYSA-N 2 1 322.412 2.593 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341882226 428240471 /nfs/dbraw/zinc/24/04/71/428240471.db2.gz GPHSVDNPFPAGBS-WDSOQIARSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000341882226 428240474 /nfs/dbraw/zinc/24/04/74/428240474.db2.gz GPHSVDNPFPAGBS-WDSOQIARSA-N 2 1 302.462 2.814 20 30 DFEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346848873 428346061 /nfs/dbraw/zinc/34/60/61/428346061.db2.gz OODQDXDCXRIROC-ULQDDVLXSA-N 2 1 316.445 2.689 20 30 DFEDMP C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000373073579 428515235 /nfs/dbraw/zinc/51/52/35/428515235.db2.gz FDRALYJINVWIQB-QZTJIDSGSA-N 2 1 320.525 2.664 20 30 DFEDMP C=CCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000373202631 428523404 /nfs/dbraw/zinc/52/34/04/428523404.db2.gz CTYFROHINQNBMH-LDLYASANSA-N 2 1 300.446 2.974 20 30 DFEDMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21)[NH+]1CCCC1 ZINC000373224183 428523945 /nfs/dbraw/zinc/52/39/45/428523945.db2.gz PYDRIGKUIVKJSC-SFFUCWETSA-N 2 1 305.466 2.690 20 30 DFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000362033274 428611173 /nfs/dbraw/zinc/61/11/73/428611173.db2.gz TVLYIRKKWOSGOP-ZRSRNVLSSA-N 2 1 319.493 2.936 20 30 DFEDMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000362033274 428611178 /nfs/dbraw/zinc/61/11/78/428611178.db2.gz TVLYIRKKWOSGOP-ZRSRNVLSSA-N 2 1 319.493 2.936 20 30 DFEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000411259798 428766422 /nfs/dbraw/zinc/76/64/22/428766422.db2.gz YAFCDUQEJSLNTG-SFHVURJKSA-N 2 1 318.509 2.562 20 30 DFEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000354107132 428866736 /nfs/dbraw/zinc/86/67/36/428866736.db2.gz OFHXGZMGLJYKAL-AWEZNQCLSA-N 2 1 307.463 2.552 20 30 DFEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000453348702 429148043 /nfs/dbraw/zinc/14/80/43/429148043.db2.gz IAJJYHNJGRWMCJ-IVDHNXQLSA-N 2 1 312.457 2.830 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491209556 429334954 /nfs/dbraw/zinc/33/49/54/429334954.db2.gz IQVQAZAAEDQTAZ-QGZVFWFLSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000491209556 429334957 /nfs/dbraw/zinc/33/49/57/429334957.db2.gz IQVQAZAAEDQTAZ-QGZVFWFLSA-N 2 1 315.461 2.565 20 30 DFEDMP C#CC[N@H+](C)CCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000491803039 429412921 /nfs/dbraw/zinc/41/29/21/429412921.db2.gz HZUYBHXHQYPFCG-IEBWSBKVSA-N 3 1 305.510 2.574 20 30 DFEDMP C#CCN(C)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000491803039 429412925 /nfs/dbraw/zinc/41/29/25/429412925.db2.gz HZUYBHXHQYPFCG-IEBWSBKVSA-N 3 1 305.510 2.574 20 30 DFEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000368492186 429856229 /nfs/dbraw/zinc/85/62/29/429856229.db2.gz AJFAVDXORLHFFC-FPSMNIFISA-N 2 1 305.466 2.548 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000368492186 429856232 /nfs/dbraw/zinc/85/62/32/429856232.db2.gz AJFAVDXORLHFFC-FPSMNIFISA-N 2 1 305.466 2.548 20 30 DFEDMP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851570 429898883 /nfs/dbraw/zinc/89/88/83/429898883.db2.gz RFFOLHLTUZNWPW-UHFFFAOYSA-N 2 1 313.445 2.633 20 30 DFEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851570 429898885 /nfs/dbraw/zinc/89/88/85/429898885.db2.gz RFFOLHLTUZNWPW-UHFFFAOYSA-N 2 1 313.445 2.633 20 30 DFEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000369054402 429909559 /nfs/dbraw/zinc/90/95/59/429909559.db2.gz KNRYQFFQAMUNIT-SJORKVTESA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000369054402 429909560 /nfs/dbraw/zinc/90/95/60/429909560.db2.gz KNRYQFFQAMUNIT-SJORKVTESA-N 2 1 305.466 2.503 20 30 DFEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)CC[C@@H]21 ZINC000369054402 429909561 /nfs/dbraw/zinc/90/95/61/429909561.db2.gz KNRYQFFQAMUNIT-SJORKVTESA-N 2 1 305.466 2.503 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000369343479 429925270 /nfs/dbraw/zinc/92/52/70/429925270.db2.gz NOROFNKFSNJGNM-MNEFBYGVSA-N 2 1 313.445 2.537 20 30 DFEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCC(C)(C)C#N ZINC000369350893 429927895 /nfs/dbraw/zinc/92/78/95/429927895.db2.gz XSEHAJOVHKZSBQ-BRWVUGGUSA-N 2 1 307.482 2.890 20 30 DFEDMP C=C(C)C[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000574097292 430010177 /nfs/dbraw/zinc/01/01/77/430010177.db2.gz JPAKIQJJMSIPOK-UHFFFAOYSA-N 2 1 321.509 2.798 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](Cc2ccccc2)OC)CC1 ZINC000638524706 430367817 /nfs/dbraw/zinc/36/78/17/430367817.db2.gz REOOYYHZCCRTTO-LJQANCHMSA-N 2 1 302.462 2.874 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000555879154 430675614 /nfs/dbraw/zinc/67/56/14/430675614.db2.gz VPKFVKZXXUYRAY-CVEARBPZSA-N 2 1 313.445 2.804 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000555879154 430675615 /nfs/dbraw/zinc/67/56/15/430675615.db2.gz VPKFVKZXXUYRAY-CVEARBPZSA-N 2 1 313.445 2.804 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000237823094 332392741 /nfs/dbraw/zinc/39/27/41/332392741.db2.gz XVHAQOMNDNGPDI-QGZVFWFLSA-N 2 1 313.445 2.943 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000295106783 335132557 /nfs/dbraw/zinc/13/25/57/335132557.db2.gz WVOQJPQQALRPPH-QGZVFWFLSA-N 2 1 318.461 2.570 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000295106783 335132558 /nfs/dbraw/zinc/13/25/58/335132558.db2.gz WVOQJPQQALRPPH-QGZVFWFLSA-N 2 1 318.461 2.570 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000295114211 335132049 /nfs/dbraw/zinc/13/20/49/335132049.db2.gz XSNIBFSANJDQOX-INIZCTEOSA-N 2 1 304.459 2.777 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000295114211 335132051 /nfs/dbraw/zinc/13/20/51/335132051.db2.gz XSNIBFSANJDQOX-INIZCTEOSA-N 2 1 304.459 2.777 20 30 DFEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C1 ZINC000273311538 334045230 /nfs/dbraw/zinc/04/52/30/334045230.db2.gz BZJRFBQDCCNXMR-OAHLLOKOSA-N 2 1 314.477 2.827 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415035085 334260426 /nfs/dbraw/zinc/26/04/26/334260426.db2.gz DFAQCLRIMMESDS-MRXNPFEDSA-N 2 1 304.434 2.867 20 30 DFEDMP N#CC1(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCOCC1 ZINC000366849915 335203206 /nfs/dbraw/zinc/20/32/06/335203206.db2.gz JNMMJTPZPWLYNI-SFHVURJKSA-N 2 1 319.493 2.895 20 30 DFEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105457980 336387661 /nfs/dbraw/zinc/38/76/61/336387661.db2.gz GYGAXNMVZHXGRB-KRWDZBQOSA-N 2 1 300.446 2.909 20 30 DFEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105457980 336387662 /nfs/dbraw/zinc/38/76/62/336387662.db2.gz GYGAXNMVZHXGRB-KRWDZBQOSA-N 2 1 300.446 2.909 20 30 DFEDMP C=CCC[C@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305092842 337013188 /nfs/dbraw/zinc/01/31/88/337013188.db2.gz QODDWJWLUIDSIG-SCTDSRPQSA-N 2 1 324.509 2.525 20 30 DFEDMP C#CCOc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863218 337062809 /nfs/dbraw/zinc/06/28/09/337062809.db2.gz DHYGMYNIVBUEEH-KRWDZBQOSA-N 2 1 309.413 2.590 20 30 DFEDMP C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377863218 337062810 /nfs/dbraw/zinc/06/28/10/337062810.db2.gz DHYGMYNIVBUEEH-KRWDZBQOSA-N 2 1 309.413 2.590 20 30 DFEDMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C(C)C ZINC000378453909 337073189 /nfs/dbraw/zinc/07/31/89/337073189.db2.gz OOYGBDWDTZJUPF-FJIDUMEYSA-N 2 1 307.482 2.935 20 30 DFEDMP CC(C)[NH+](CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C(C)C ZINC000378453911 337073252 /nfs/dbraw/zinc/07/32/52/337073252.db2.gz OOYGBDWDTZJUPF-MLHJIOFPSA-N 2 1 307.482 2.935 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCOCC3)CC1 ZINC000186326349 337255410 /nfs/dbraw/zinc/25/54/10/337255410.db2.gz YJOVULARSAGQNP-ZWKOTPCHSA-N 2 1 322.493 2.591 20 30 DFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430582109 338109155 /nfs/dbraw/zinc/10/91/55/338109155.db2.gz KBQGGXSEXVZHPT-CQSZACIVSA-N 2 1 323.506 2.568 20 30 DFEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582109 338109156 /nfs/dbraw/zinc/10/91/56/338109156.db2.gz KBQGGXSEXVZHPT-CQSZACIVSA-N 2 1 323.506 2.568 20 30 DFEDMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H](C#N)C3)CCCC2)CC1 ZINC000442787388 338431443 /nfs/dbraw/zinc/43/14/43/338431443.db2.gz DCBGIUSRZMRHJI-JKSUJKDBSA-N 2 1 305.466 2.692 20 30 DFEDMP C=C(C)C[N@H+](CCc1cncn1C)Cc1cnn(C(C)C)c1 ZINC000459467704 339030897 /nfs/dbraw/zinc/03/08/97/339030897.db2.gz QDSYDNJAGDHVGH-UHFFFAOYSA-N 2 1 301.438 2.818 20 30 DFEDMP C=CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000066243131 398363851 /nfs/dbraw/zinc/36/38/51/398363851.db2.gz RBWHIXJPZVIXIR-OAHLLOKOSA-N 2 1 300.450 2.651 20 30 DFEDMP Cc1nc2c(n1[C@@H]1CCN(Cc3ccncc3C#N)C1)CCCC2 ZINC000592107358 398385241 /nfs/dbraw/zinc/38/52/41/398385241.db2.gz JIEHCBMNNJAARI-QGZVFWFLSA-N 2 1 321.428 2.784 20 30 DFEDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1C ZINC000331952648 234313413 /nfs/dbraw/zinc/31/34/13/234313413.db2.gz RDMKIXYHHIUUJW-KSSFIOAISA-N 2 1 323.444 2.531 20 30 DFEDMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000595500893 398951165 /nfs/dbraw/zinc/95/11/65/398951165.db2.gz GJYPRJHOJSZLNC-ZWKOTPCHSA-N 2 1 303.450 2.712 20 30 DFEDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000595500893 398951168 /nfs/dbraw/zinc/95/11/68/398951168.db2.gz GJYPRJHOJSZLNC-ZWKOTPCHSA-N 2 1 303.450 2.712 20 30 DFEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595764152 399075621 /nfs/dbraw/zinc/07/56/21/399075621.db2.gz FFVULDPQWHTBER-SFHVURJKSA-N 2 1 313.445 2.638 20 30 DFEDMP CC(CC[NH+]1CC[C@](C)(C#N)C1)CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841832 399110014 /nfs/dbraw/zinc/11/00/14/399110014.db2.gz ORNHLSKVVUPUOK-QZTJIDSGSA-N 2 1 302.466 2.874 20 30 DFEDMP C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000600726697 399126819 /nfs/dbraw/zinc/12/68/19/399126819.db2.gz GSKONVXZGJCVSD-WMZOPIPTSA-N 2 1 315.461 2.541 20 30 DFEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908206 399130300 /nfs/dbraw/zinc/13/03/00/399130300.db2.gz ZUFSASSIWRTAOM-MAUKXSAKSA-N 2 1 301.434 2.662 20 30 DFEDMP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595908206 399130304 /nfs/dbraw/zinc/13/03/04/399130304.db2.gz ZUFSASSIWRTAOM-MAUKXSAKSA-N 2 1 301.434 2.662 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745990 399160415 /nfs/dbraw/zinc/16/04/15/399160415.db2.gz HFVRVZFYDSLUAO-IAGOWNOFSA-N 2 1 321.509 2.654 20 30 DFEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745990 399160420 /nfs/dbraw/zinc/16/04/20/399160420.db2.gz HFVRVZFYDSLUAO-IAGOWNOFSA-N 2 1 321.509 2.654 20 30 DFEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602510367 399464194 /nfs/dbraw/zinc/46/41/94/399464194.db2.gz MRVYTKPUPWXDDW-GJZGRUSLSA-N 2 1 304.438 2.516 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000602516231 399465696 /nfs/dbraw/zinc/46/56/96/399465696.db2.gz WKDCOXZJKMQAFZ-ZACQAIPSSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000602516231 399465698 /nfs/dbraw/zinc/46/56/98/399465698.db2.gz WKDCOXZJKMQAFZ-ZACQAIPSSA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000602559054 399475270 /nfs/dbraw/zinc/47/52/70/399475270.db2.gz AWIQPTPKMGKCDO-MGNMYUMUSA-N 2 1 305.466 2.690 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000602559054 399475273 /nfs/dbraw/zinc/47/52/73/399475273.db2.gz AWIQPTPKMGKCDO-MGNMYUMUSA-N 2 1 305.466 2.690 20 30 DFEDMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602581275 399482239 /nfs/dbraw/zinc/48/22/39/399482239.db2.gz JENWBGITKWDCAI-DLBZAZTESA-N 2 1 307.482 2.795 20 30 DFEDMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602581275 399482242 /nfs/dbraw/zinc/48/22/42/399482242.db2.gz JENWBGITKWDCAI-DLBZAZTESA-N 2 1 307.482 2.795 20 30 DFEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000602715908 399534896 /nfs/dbraw/zinc/53/48/96/399534896.db2.gz PVGZMACMUCKONQ-AEFFLSMTSA-N 2 1 319.493 2.797 20 30 DFEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000612181105 399599077 /nfs/dbraw/zinc/59/90/77/399599077.db2.gz MMDDREZSYJJQFI-UHFFFAOYSA-N 2 1 321.359 2.876 20 30 DFEDMP COc1ccc(C#N)cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846413 399599960 /nfs/dbraw/zinc/59/99/60/399599960.db2.gz PUXIUDLDRURTPO-UHFFFAOYSA-N 2 1 322.412 2.674 20 30 DFEDMP Cc1cc(C#N)ccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847082 399600486 /nfs/dbraw/zinc/60/04/86/399600486.db2.gz SKLVMCRSKSWQRL-UHFFFAOYSA-N 2 1 306.413 2.974 20 30 DFEDMP C=CC[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC=C)C3)COC2)C1 ZINC000625700886 399617620 /nfs/dbraw/zinc/61/76/20/399617620.db2.gz FOCYYDNARGTPBM-ROUUACIJSA-N 2 1 304.478 2.799 20 30 DFEDMP C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000617503638 399720740 /nfs/dbraw/zinc/72/07/40/399720740.db2.gz RYJIUUDLFSGLDR-KRWDZBQOSA-N 2 1 323.525 2.901 20 30 DFEDMP C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000617503638 399720741 /nfs/dbraw/zinc/72/07/41/399720741.db2.gz RYJIUUDLFSGLDR-KRWDZBQOSA-N 2 1 323.525 2.901 20 30 DFEDMP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130492 542750154 /nfs/dbraw/zinc/75/01/54/542750154.db2.gz VICIPBXDMHKHIE-IPMKNSEASA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130492 542750157 /nfs/dbraw/zinc/75/01/57/542750157.db2.gz VICIPBXDMHKHIE-IPMKNSEASA-N 2 1 305.510 2.901 20 30 DFEDMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000166130492 542750161 /nfs/dbraw/zinc/75/01/61/542750161.db2.gz VICIPBXDMHKHIE-IPMKNSEASA-N 2 1 305.510 2.901 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000245444802 146072118 /nfs/dbraw/zinc/07/21/18/146072118.db2.gz YIHJPSJJVCMKLH-RDJZCZTQSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000245444802 146072122 /nfs/dbraw/zinc/07/21/22/146072122.db2.gz YIHJPSJJVCMKLH-RDJZCZTQSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000245444802 146072126 /nfs/dbraw/zinc/07/21/26/146072126.db2.gz YIHJPSJJVCMKLH-RDJZCZTQSA-N 2 1 301.434 2.599 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488440666 267058436 /nfs/dbraw/zinc/05/84/36/267058436.db2.gz BSTNECCSRDSRJW-LJQANCHMSA-N 2 1 315.461 2.799 20 30 DFEDMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(C#N)s1 ZINC000134979427 426201837 /nfs/dbraw/zinc/20/18/37/426201837.db2.gz FSNWHRSRDHDUIM-UONOGXRCSA-N 2 1 319.474 2.771 20 30 DFEDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135120228 426206434 /nfs/dbraw/zinc/20/64/34/426206434.db2.gz YJIALBMJUSELIS-MRXNPFEDSA-N 2 1 301.434 2.731 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136872965 426247363 /nfs/dbraw/zinc/24/73/63/426247363.db2.gz XGXYQBCZRZPDAM-DOTOQJQBSA-N 2 1 302.466 2.601 20 30 DFEDMP CC(C)OCC[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000176981470 426431048 /nfs/dbraw/zinc/43/10/48/426431048.db2.gz YPRHYLRJZDRKGI-UHFFFAOYSA-N 2 1 307.463 2.599 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340879186 269026108 /nfs/dbraw/zinc/02/61/08/269026108.db2.gz UAKMYBVQCUSTMR-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340879186 269026113 /nfs/dbraw/zinc/02/61/13/269026113.db2.gz UAKMYBVQCUSTMR-QGZVFWFLSA-N 2 1 319.424 2.630 20 30 DFEDMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000123751642 426451282 /nfs/dbraw/zinc/45/12/82/426451282.db2.gz GOQAMQXVWWLAMR-OAHLLOKOSA-N 2 1 312.392 2.886 20 30 DFEDMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000195164936 426505478 /nfs/dbraw/zinc/50/54/78/426505478.db2.gz MTABEBPBSNUARE-SFHVURJKSA-N 2 1 314.477 2.555 20 30 DFEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000265199328 426594779 /nfs/dbraw/zinc/59/47/79/426594779.db2.gz AKTPARIBJYXMNE-JKSUJKDBSA-N 2 1 309.498 2.532 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245768344 426769439 /nfs/dbraw/zinc/76/94/39/426769439.db2.gz RGCKQUNNANOXRM-WMZOPIPTSA-N 2 1 313.445 2.895 20 30 DFEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245768344 426769441 /nfs/dbraw/zinc/76/94/41/426769441.db2.gz RGCKQUNNANOXRM-WMZOPIPTSA-N 2 1 313.445 2.895 20 30 DFEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000267457928 426879413 /nfs/dbraw/zinc/87/94/13/426879413.db2.gz UEFJGYBBRVNRQF-OAHLLOKOSA-N 2 1 318.465 2.505 20 30 DFEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000189976889 426991436 /nfs/dbraw/zinc/99/14/36/426991436.db2.gz RDSCGYZILKFRKX-INIZCTEOSA-N 2 1 314.477 2.577 20 30 DFEDMP C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276578385 427104406 /nfs/dbraw/zinc/10/44/06/427104406.db2.gz AQLNQALWJYKAJS-APWZRJJASA-N 2 1 322.456 2.897 20 30 DFEDMP CC[NH+]=C(NCc1ccsc1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261959906 427346497 /nfs/dbraw/zinc/34/64/97/427346497.db2.gz JXHILACDXXRCLL-UKRRQHHQSA-N 2 1 308.495 2.532 20 30 DFEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191228819 427291731 /nfs/dbraw/zinc/29/17/31/427291731.db2.gz TZTQDPWMORUNPT-UHFFFAOYSA-N 2 1 302.466 2.841 20 30 DFEDMP CNC(NCc1ccccc1C[N@@H+](C)C1CCCCC1)=[NH+]C ZINC000264103532 427657666 /nfs/dbraw/zinc/65/76/66/427657666.db2.gz OVCJBAQJIFOFLR-UHFFFAOYSA-N 2 1 302.466 2.746 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264128659 427663577 /nfs/dbraw/zinc/66/35/77/427663577.db2.gz SYCYYFFWZXLNOI-QGZVFWFLSA-N 2 1 318.465 2.537 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000295047319 427672842 /nfs/dbraw/zinc/67/28/42/427672842.db2.gz PYOKCVZFKAJRMX-MRXNPFEDSA-N 2 1 304.434 2.700 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000295047319 427672846 /nfs/dbraw/zinc/67/28/46/427672846.db2.gz PYOKCVZFKAJRMX-MRXNPFEDSA-N 2 1 304.434 2.700 20 30 DFEDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352821990 428265225 /nfs/dbraw/zinc/26/52/25/428265225.db2.gz CAXTXMANTPBKDR-UHFFFAOYSA-N 2 1 309.335 2.929 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC[N@@H+]1C ZINC000370634309 428260245 /nfs/dbraw/zinc/26/02/45/428260245.db2.gz KUKFUTDGTCJSNS-NJAFHUGGSA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3C#N)C2)CC[N@H+]1C ZINC000370634309 428260252 /nfs/dbraw/zinc/26/02/52/428260252.db2.gz KUKFUTDGTCJSNS-NJAFHUGGSA-N 2 1 312.461 2.599 20 30 DFEDMP C[C@H]1CC[NH+](CC#CC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000342136406 428317302 /nfs/dbraw/zinc/31/73/02/428317302.db2.gz VAJBCNUIYILCES-HOTGVXAUSA-N 2 1 312.548 2.645 20 30 DFEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347203843 428492632 /nfs/dbraw/zinc/49/26/32/428492632.db2.gz KWDHZORNOHNDBN-ZBFHGGJFSA-N 2 1 304.434 2.819 20 30 DFEDMP C=CCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000373202632 428524351 /nfs/dbraw/zinc/52/43/51/428524351.db2.gz CTYFROHINQNBMH-REPLKXPHSA-N 2 1 300.446 2.974 20 30 DFEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCCSCC#N)CC2)C1CC1 ZINC000374296258 428672351 /nfs/dbraw/zinc/67/23/51/428672351.db2.gz OQMKRVRJMDNBCQ-OAHLLOKOSA-N 2 1 307.507 2.830 20 30 DFEDMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000353749326 428693467 /nfs/dbraw/zinc/69/34/67/428693467.db2.gz FNKZLNHBJHTCFD-HOCLYGCPSA-N 2 1 311.433 2.511 20 30 DFEDMP N#CC1(CC[N@H+]2CC[C@H](CN3CCOCC3)C2)CCCCC1 ZINC000411317089 428777075 /nfs/dbraw/zinc/77/70/75/428777075.db2.gz XZDKLBGSVSYGTK-KRWDZBQOSA-N 2 1 305.466 2.505 20 30 DFEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000363167003 428873869 /nfs/dbraw/zinc/87/38/69/428873869.db2.gz BOULIUIHRXLMNZ-IKGGRYGDSA-N 2 1 307.482 2.795 20 30 DFEDMP C=CCCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363308300 428901850 /nfs/dbraw/zinc/90/18/50/428901850.db2.gz BPXCNAIGSMXPEQ-UHFFFAOYSA-N 2 1 321.509 2.655 20 30 DFEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000420317600 428958351 /nfs/dbraw/zinc/95/83/51/428958351.db2.gz ZPHQOKKKAXWPEY-UHFFFAOYSA-N 2 1 315.461 2.549 20 30 DFEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887107 429238654 /nfs/dbraw/zinc/23/86/54/429238654.db2.gz WPSZQCKYDLEEGQ-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887107 429238659 /nfs/dbraw/zinc/23/86/59/429238659.db2.gz WPSZQCKYDLEEGQ-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887107 429238663 /nfs/dbraw/zinc/23/86/63/429238663.db2.gz WPSZQCKYDLEEGQ-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000442887107 429238668 /nfs/dbraw/zinc/23/86/68/429238668.db2.gz WPSZQCKYDLEEGQ-YOEHRIQHSA-N 2 1 301.434 2.871 20 30 DFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000491071883 429322348 /nfs/dbraw/zinc/32/23/48/429322348.db2.gz OEKWAWCESKXXOH-OAHLLOKOSA-N 2 1 304.434 2.618 20 30 DFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000491071883 429322354 /nfs/dbraw/zinc/32/23/54/429322354.db2.gz OEKWAWCESKXXOH-OAHLLOKOSA-N 2 1 304.434 2.618 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420516 429822329 /nfs/dbraw/zinc/82/23/29/429822329.db2.gz KPHWULIENOEQDU-JKSUJKDBSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000432420516 429822332 /nfs/dbraw/zinc/82/23/32/429822332.db2.gz KPHWULIENOEQDU-JKSUJKDBSA-N 2 1 301.434 2.710 20 30 DFEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528384847 429883154 /nfs/dbraw/zinc/88/31/54/429883154.db2.gz XSDOEWNSSZPBIC-KZNAEPCWSA-N 2 1 319.493 2.628 20 30 DFEDMP C=CCCCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000575988857 430101869 /nfs/dbraw/zinc/10/18/69/430101869.db2.gz JPXAOMBROWCUME-LJQANCHMSA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000575988857 430101875 /nfs/dbraw/zinc/10/18/75/430101875.db2.gz JPXAOMBROWCUME-LJQANCHMSA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000575988857 430101879 /nfs/dbraw/zinc/10/18/79/430101879.db2.gz JPXAOMBROWCUME-LJQANCHMSA-N 2 1 321.509 2.609 20 30 DFEDMP C=CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000575988857 430101883 /nfs/dbraw/zinc/10/18/83/430101883.db2.gz JPXAOMBROWCUME-LJQANCHMSA-N 2 1 321.509 2.609 20 30 DFEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000249413162 278395816 /nfs/dbraw/zinc/39/58/16/278395816.db2.gz YMWPYEWUHAMWEM-HZPDHXFCSA-N 2 1 315.461 2.644 20 30 DFEDMP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000661760716 430834863 /nfs/dbraw/zinc/83/48/63/430834863.db2.gz XTCKORDBJZREEK-KRWDZBQOSA-N 2 1 317.477 2.692 20 30 DFEDMP C=CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)COC ZINC000661241179 431790306 /nfs/dbraw/zinc/79/03/06/431790306.db2.gz XRFZOMODAQGDJI-KRWDZBQOSA-N 2 1 318.461 2.542 20 30 DFEDMP C=CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)COC ZINC000661241179 431790312 /nfs/dbraw/zinc/79/03/12/431790312.db2.gz XRFZOMODAQGDJI-KRWDZBQOSA-N 2 1 318.461 2.542 20 30 DFEDMP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000661381234 431839055 /nfs/dbraw/zinc/83/90/55/431839055.db2.gz YCGPOUZAMAPOJD-IEBWSBKVSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000661381234 431839056 /nfs/dbraw/zinc/83/90/56/431839056.db2.gz YCGPOUZAMAPOJD-IEBWSBKVSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381234 431839058 /nfs/dbraw/zinc/83/90/58/431839058.db2.gz YCGPOUZAMAPOJD-IEBWSBKVSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000661381234 431839060 /nfs/dbraw/zinc/83/90/60/431839060.db2.gz YCGPOUZAMAPOJD-IEBWSBKVSA-N 2 1 302.462 2.767 20 30 DFEDMP C=CCC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccco1 ZINC000560515968 332348959 /nfs/dbraw/zinc/34/89/59/332348959.db2.gz DTQNVZBSMXENSE-KRWDZBQOSA-N 2 1 305.466 2.904 20 30 DFEDMP Cc1cc(N2CCC([NH2+]CC(C)(C)CCC#N)CC2)nc(C)[nH+]1 ZINC000178615219 333141202 /nfs/dbraw/zinc/14/12/02/333141202.db2.gz PDPMNESYURHEBS-UHFFFAOYSA-N 2 1 315.465 2.982 20 30 DFEDMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000179836175 333155618 /nfs/dbraw/zinc/15/56/18/333155618.db2.gz MTVRMIZQLYKGMI-UHFFFAOYSA-N 2 1 314.477 2.999 20 30 DFEDMP CCCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264128658 333953138 /nfs/dbraw/zinc/95/31/38/333953138.db2.gz SYCYYFFWZXLNOI-KRWDZBQOSA-N 2 1 318.465 2.537 20 30 DFEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290756587 334174656 /nfs/dbraw/zinc/17/46/56/334174656.db2.gz YUYMJGHBAQFLMW-SFHVURJKSA-N 2 1 314.477 2.769 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000344657317 335269229 /nfs/dbraw/zinc/26/92/29/335269229.db2.gz AXUYLJXABADQEN-GOEBONIOSA-N 2 1 304.434 2.832 20 30 DFEDMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000344657317 335269230 /nfs/dbraw/zinc/26/92/30/335269230.db2.gz AXUYLJXABADQEN-GOEBONIOSA-N 2 1 304.434 2.832 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000329789467 336082102 /nfs/dbraw/zinc/08/21/02/336082102.db2.gz SLHAENRFZHIMIK-LZWOXQAQSA-N 2 1 318.465 2.831 20 30 DFEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C2 ZINC000329789467 336082103 /nfs/dbraw/zinc/08/21/03/336082103.db2.gz SLHAENRFZHIMIK-LZWOXQAQSA-N 2 1 318.465 2.831 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C2(C(=O)OC)CCC2)CC1 ZINC000354092457 336458883 /nfs/dbraw/zinc/45/88/83/336458883.db2.gz NZWLOMDUIBVCCZ-MRXNPFEDSA-N 2 1 308.466 2.738 20 30 DFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354327602 336467016 /nfs/dbraw/zinc/46/70/16/336467016.db2.gz HNGXYVVXXSPQKO-YQQAZPJKSA-N 2 1 308.466 2.594 20 30 DFEDMP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000370644315 336889313 /nfs/dbraw/zinc/88/93/13/336889313.db2.gz WSBQBEVAWWFBAO-KRWDZBQOSA-N 2 1 324.428 2.918 20 30 DFEDMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2)nc(C)[nH+]1 ZINC000376460871 337033912 /nfs/dbraw/zinc/03/39/12/337033912.db2.gz BBOOGLCYEMFDTA-ULQDDVLXSA-N 2 1 313.449 2.734 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000377643411 337057242 /nfs/dbraw/zinc/05/72/42/337057242.db2.gz DMHYWRZDTAFZCR-SJORKVTESA-N 2 1 316.445 2.846 20 30 DFEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000377643411 337057243 /nfs/dbraw/zinc/05/72/43/337057243.db2.gz DMHYWRZDTAFZCR-SJORKVTESA-N 2 1 316.445 2.846 20 30 DFEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377660519 337057795 /nfs/dbraw/zinc/05/77/95/337057795.db2.gz XLACZNVPFFMVIR-UHFFFAOYSA-N 2 1 319.452 2.860 20 30 DFEDMP C=C(Cl)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000175797471 337149182 /nfs/dbraw/zinc/14/91/82/337149182.db2.gz RVAIPUJPGKYABC-GJZGRUSLSA-N 2 1 300.874 2.950 20 30 DFEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000318303231 533873095 /nfs/dbraw/zinc/87/30/95/533873095.db2.gz PCJNTULNUYZXLI-HNNXBMFYSA-N 2 1 301.434 2.921 20 30 DFEDMP COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000318303231 533873105 /nfs/dbraw/zinc/87/31/05/533873105.db2.gz PCJNTULNUYZXLI-HNNXBMFYSA-N 2 1 301.434 2.921 20 30 DFEDMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000191351964 523169078 /nfs/dbraw/zinc/16/90/78/523169078.db2.gz OPHOCJGQXOZTGE-GOSISDBHSA-N 2 1 322.456 2.851 20 30 DFEDMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000191351964 523169089 /nfs/dbraw/zinc/16/90/89/523169089.db2.gz OPHOCJGQXOZTGE-GOSISDBHSA-N 2 1 322.456 2.851 20 30 DFEDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000191351964 523169096 /nfs/dbraw/zinc/16/90/96/523169096.db2.gz OPHOCJGQXOZTGE-GOSISDBHSA-N 2 1 322.456 2.851 20 30 DFEDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000191351964 523169106 /nfs/dbraw/zinc/16/91/06/523169106.db2.gz OPHOCJGQXOZTGE-GOSISDBHSA-N 2 1 322.456 2.851 20 30 DFEDMP