smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381685 598384323 /nfs/dbraw/zinc/38/43/23/598384323.db2.gz OUEJULZOLICZHK-IBGZPJMESA-N 2 2 393.495 0.999 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381685 598384325 /nfs/dbraw/zinc/38/43/25/598384325.db2.gz OUEJULZOLICZHK-IBGZPJMESA-N 2 2 393.495 0.999 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381685 598384327 /nfs/dbraw/zinc/38/43/27/598384327.db2.gz OUEJULZOLICZHK-IBGZPJMESA-N 2 2 393.495 0.999 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381685 598384328 /nfs/dbraw/zinc/38/43/28/598384328.db2.gz OUEJULZOLICZHK-IBGZPJMESA-N 2 2 393.495 0.999 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644844205 1192344867 /nfs/dbraw/zinc/34/48/67/1192344867.db2.gz NLNHSNXJROFOEU-NEWSRXKRSA-N 2 2 392.544 0.711 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644844205 1192344870 /nfs/dbraw/zinc/34/48/70/1192344870.db2.gz NLNHSNXJROFOEU-NEWSRXKRSA-N 2 2 392.544 0.711 20 30 GCEDLP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532389 1192363246 /nfs/dbraw/zinc/36/32/46/1192363246.db2.gz XWQUGOUMNAVQCT-WCLQXYBISA-N 2 2 383.496 0.491 20 30 GCEDLP CN1CC[NH+](C)C[C@@H]1CNc1nc(NC[C@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000278381445 1186922151 /nfs/dbraw/zinc/92/21/51/1186922151.db2.gz LONKIPPECJUEQH-ROUUACIJSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@@H]1CNc1nc(NC[C@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000278381445 1186922156 /nfs/dbraw/zinc/92/21/56/1186922156.db2.gz LONKIPPECJUEQH-ROUUACIJSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@@H]1CNc1ccc(C#N)c(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000278381445 1186922158 /nfs/dbraw/zinc/92/21/58/1186922158.db2.gz LONKIPPECJUEQH-ROUUACIJSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@@H]1CNc1ccc(C#N)c(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000278381445 1186922161 /nfs/dbraw/zinc/92/21/61/1186922161.db2.gz LONKIPPECJUEQH-ROUUACIJSA-N 2 2 386.548 0.269 20 30 GCEDLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330242424 1189723277 /nfs/dbraw/zinc/72/32/77/1189723277.db2.gz CDUSDKDZQOGANP-QUCCMNQESA-N 2 2 376.501 0.800 20 30 GCEDLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330242424 1189723282 /nfs/dbraw/zinc/72/32/82/1189723282.db2.gz CDUSDKDZQOGANP-QUCCMNQESA-N 2 2 376.501 0.800 20 30 GCEDLP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330242424 1189723287 /nfs/dbraw/zinc/72/32/87/1189723287.db2.gz CDUSDKDZQOGANP-QUCCMNQESA-N 2 2 376.501 0.800 20 30 GCEDLP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330242424 1189723289 /nfs/dbraw/zinc/72/32/89/1189723289.db2.gz CDUSDKDZQOGANP-QUCCMNQESA-N 2 2 376.501 0.800 20 30 GCEDLP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970601 1193933816 /nfs/dbraw/zinc/93/38/16/1193933816.db2.gz MPCOTHGPWLMNGL-WMZOPIPTSA-N 2 2 375.521 0.506 20 30 GCEDLP C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262507628 1193949624 /nfs/dbraw/zinc/94/96/24/1193949624.db2.gz LNHGTLSOANIRSL-QGZVFWFLSA-N 2 2 379.480 0.658 20 30 GCEDLP C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262507628 1193949627 /nfs/dbraw/zinc/94/96/27/1193949627.db2.gz LNHGTLSOANIRSL-QGZVFWFLSA-N 2 2 379.480 0.658 20 30 GCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 ZINC000263075745 1193961632 /nfs/dbraw/zinc/96/16/32/1193961632.db2.gz CKEXFKUOKSJNCC-HZPDHXFCSA-N 2 2 375.521 0.801 20 30 GCEDLP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423041139 1194721381 /nfs/dbraw/zinc/72/13/81/1194721381.db2.gz WEWZLGPDMJWOMQ-IRXDYDNUSA-N 2 2 383.496 0.801 20 30 GCEDLP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC000423041139 1194721384 /nfs/dbraw/zinc/72/13/84/1194721384.db2.gz WEWZLGPDMJWOMQ-IRXDYDNUSA-N 2 2 383.496 0.801 20 30 GCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261996454 1195332497 /nfs/dbraw/zinc/33/24/97/1195332497.db2.gz SOCXSNRUJLQLST-KRWDZBQOSA-N 2 2 396.605 0.239 20 30 GCEDLP C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330228993 1196091232 /nfs/dbraw/zinc/09/12/32/1196091232.db2.gz PYJZWFBTOWIIQZ-UYAOXDASSA-N 2 2 392.544 0.664 20 30 GCEDLP C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000895915760 1196117880 /nfs/dbraw/zinc/11/78/80/1196117880.db2.gz JLEULGJMJXZFOH-UHFFFAOYSA-N 2 2 391.541 0.024 20 30 GCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329113062 1196165936 /nfs/dbraw/zinc/16/59/36/1196165936.db2.gz LBBWEFMFUCRYRX-HNNXBMFYSA-N 2 2 389.566 0.282 20 30 GCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000329113062 1196165937 /nfs/dbraw/zinc/16/59/37/1196165937.db2.gz LBBWEFMFUCRYRX-HNNXBMFYSA-N 2 2 389.566 0.282 20 30 GCEDLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000329871631 1196235348 /nfs/dbraw/zinc/23/53/48/1196235348.db2.gz AXUZTLIMFQJPRJ-UHFFFAOYSA-N 2 2 390.550 0.410 20 30 GCEDLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000329871631 1196235351 /nfs/dbraw/zinc/23/53/51/1196235351.db2.gz AXUZTLIMFQJPRJ-UHFFFAOYSA-N 2 2 390.550 0.410 20 30 GCEDLP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000330155697 1196256770 /nfs/dbraw/zinc/25/67/70/1196256770.db2.gz YKXFKSKXSIJENX-ULQDDVLXSA-N 2 2 381.521 0.248 20 30 GCEDLP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000330155697 1196256774 /nfs/dbraw/zinc/25/67/74/1196256774.db2.gz YKXFKSKXSIJENX-ULQDDVLXSA-N 2 2 381.521 0.248 20 30 GCEDLP C[NH+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC(C)(C)C ZINC000263276718 1197257476 /nfs/dbraw/zinc/25/74/76/1197257476.db2.gz YSHKAYRTLDMOGD-UHFFFAOYSA-N 2 2 382.534 0.497 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000672356294 1199215284 /nfs/dbraw/zinc/21/52/84/1199215284.db2.gz DDPQHUNAQPKFJS-GOSISDBHSA-N 2 2 378.517 0.466 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637485 1199287653 /nfs/dbraw/zinc/28/76/53/1199287653.db2.gz IIMWRQAYQXKSIZ-BQFCYCMXSA-N 2 2 378.517 0.369 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637485 1199287656 /nfs/dbraw/zinc/28/76/56/1199287656.db2.gz IIMWRQAYQXKSIZ-BQFCYCMXSA-N 2 2 378.517 0.369 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563670 1201135079 /nfs/dbraw/zinc/13/50/79/1201135079.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563670 1201135085 /nfs/dbraw/zinc/13/50/85/1201135085.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563670 1201135089 /nfs/dbraw/zinc/13/50/89/1201135089.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563670 1201135093 /nfs/dbraw/zinc/13/50/93/1201135093.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923578096 1201151547 /nfs/dbraw/zinc/15/15/47/1201151547.db2.gz CIBRYURFUZWYSY-QZTJIDSGSA-N 2 2 390.553 0.147 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923578096 1201151550 /nfs/dbraw/zinc/15/15/50/1201151550.db2.gz CIBRYURFUZWYSY-QZTJIDSGSA-N 2 2 390.553 0.147 20 30 GCEDLP C#Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000729979474 1201422560 /nfs/dbraw/zinc/42/25/60/1201422560.db2.gz BESMCXLJUKMZNP-UHFFFAOYSA-N 2 2 383.496 0.373 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162503 1201523879 /nfs/dbraw/zinc/52/38/79/1201523879.db2.gz IANZDBQWUUYWTP-CGXNFDGLSA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162503 1201523881 /nfs/dbraw/zinc/52/38/81/1201523881.db2.gz IANZDBQWUUYWTP-CGXNFDGLSA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162503 1201523883 /nfs/dbraw/zinc/52/38/83/1201523883.db2.gz IANZDBQWUUYWTP-CGXNFDGLSA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162503 1201523885 /nfs/dbraw/zinc/52/38/85/1201523885.db2.gz IANZDBQWUUYWTP-CGXNFDGLSA-N 2 2 398.551 0.973 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109305455 1202018831 /nfs/dbraw/zinc/01/88/31/1202018831.db2.gz KEWGXZSMZGOGBE-HMDCTGQHSA-N 2 2 391.516 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109305455 1202018833 /nfs/dbraw/zinc/01/88/33/1202018833.db2.gz KEWGXZSMZGOGBE-HMDCTGQHSA-N 2 2 391.516 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305455 1202018834 /nfs/dbraw/zinc/01/88/34/1202018834.db2.gz KEWGXZSMZGOGBE-HMDCTGQHSA-N 2 2 391.516 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305455 1202018837 /nfs/dbraw/zinc/01/88/37/1202018837.db2.gz KEWGXZSMZGOGBE-HMDCTGQHSA-N 2 2 391.516 0.450 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511900483 1192194949 /nfs/dbraw/zinc/19/49/49/1192194949.db2.gz HEQYPFISTDNJCU-DLBZAZTESA-N 2 2 378.521 0.605 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511900483 1192194951 /nfs/dbraw/zinc/19/49/51/1192194951.db2.gz HEQYPFISTDNJCU-DLBZAZTESA-N 2 2 378.521 0.605 20 30 GCEDLP COCC[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](CCOC)CC3)n2)CC1 ZINC000276426560 1185811106 /nfs/dbraw/zinc/81/11/06/1185811106.db2.gz JBRONZLAXAOXSM-UHFFFAOYSA-N 2 2 388.516 0.490 20 30 GCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000891607536 1185938164 /nfs/dbraw/zinc/93/81/64/1185938164.db2.gz OIFPPUFSWCOTKI-FQEVSTJZSA-N 2 2 397.523 0.586 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000891607536 1185938166 /nfs/dbraw/zinc/93/81/66/1185938166.db2.gz OIFPPUFSWCOTKI-FQEVSTJZSA-N 2 2 397.523 0.586 20 30 GCEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423311 1189502413 /nfs/dbraw/zinc/50/24/13/1189502413.db2.gz BKHZWFSAYAJIOO-QGZVFWFLSA-N 2 2 378.517 0.877 20 30 GCEDLP CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262012708 1193936042 /nfs/dbraw/zinc/93/60/42/1193936042.db2.gz XASCCRRFXOMQBF-HKUYNNGSSA-N 2 2 389.548 0.896 20 30 GCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261854779 1194424605 /nfs/dbraw/zinc/42/46/05/1194424605.db2.gz YLTKZTLWWRHVRP-GOSISDBHSA-N 2 2 396.561 0.311 20 30 GCEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000424171936 1194804681 /nfs/dbraw/zinc/80/46/81/1194804681.db2.gz KASNZCMNHLMJAL-HOTGVXAUSA-N 2 2 387.488 0.419 20 30 GCEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000424171936 1194804683 /nfs/dbraw/zinc/80/46/83/1194804683.db2.gz KASNZCMNHLMJAL-HOTGVXAUSA-N 2 2 387.488 0.419 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)CC2)o1 ZINC000520423751 1195632436 /nfs/dbraw/zinc/63/24/36/1195632436.db2.gz JSNPKQQMUGZXPZ-HNNXBMFYSA-N 2 2 383.456 0.726 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)CC2)o1 ZINC000520423751 1195632439 /nfs/dbraw/zinc/63/24/39/1195632439.db2.gz JSNPKQQMUGZXPZ-HNNXBMFYSA-N 2 2 383.456 0.726 20 30 GCEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328813206 1195665954 /nfs/dbraw/zinc/66/59/54/1195665954.db2.gz FUZIECJTHWECSF-WBVHZDCISA-N 2 2 388.516 0.884 20 30 GCEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328813206 1195665957 /nfs/dbraw/zinc/66/59/57/1195665957.db2.gz FUZIECJTHWECSF-WBVHZDCISA-N 2 2 388.516 0.884 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550580654 1196093363 /nfs/dbraw/zinc/09/33/63/1196093363.db2.gz IPTSYSDWWGQWOY-HOTGVXAUSA-N 2 2 380.533 0.757 20 30 GCEDLP C[NH+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CCCC1 ZINC000263227852 1197253600 /nfs/dbraw/zinc/25/36/00/1197253600.db2.gz GYPWESWWIKLZPH-UHFFFAOYSA-N 2 2 394.545 0.641 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000139988188 1200187174 /nfs/dbraw/zinc/18/71/74/1200187174.db2.gz DEEGYSGGQKVPFX-SJLPKXTDSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC2)o1 ZINC000139988188 1200187181 /nfs/dbraw/zinc/18/71/81/1200187181.db2.gz DEEGYSGGQKVPFX-SJLPKXTDSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC2)o1 ZINC000139988188 1200187186 /nfs/dbraw/zinc/18/71/86/1200187186.db2.gz DEEGYSGGQKVPFX-SJLPKXTDSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC2)o1 ZINC000139988188 1200187190 /nfs/dbraw/zinc/18/71/90/1200187190.db2.gz DEEGYSGGQKVPFX-SJLPKXTDSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000246602852 1200413093 /nfs/dbraw/zinc/41/30/93/1200413093.db2.gz DEEGYSGGQKVPFX-FUHWJXTLSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)o1 ZINC000246602852 1200413099 /nfs/dbraw/zinc/41/30/99/1200413099.db2.gz DEEGYSGGQKVPFX-FUHWJXTLSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC2)o1 ZINC000246602852 1200413104 /nfs/dbraw/zinc/41/31/04/1200413104.db2.gz DEEGYSGGQKVPFX-FUHWJXTLSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC2)o1 ZINC000246602852 1200413106 /nfs/dbraw/zinc/41/31/06/1200413106.db2.gz DEEGYSGGQKVPFX-FUHWJXTLSA-N 2 2 386.500 0.919 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162510 1201523826 /nfs/dbraw/zinc/52/38/26/1201523826.db2.gz IANZDBQWUUYWTP-WOZUAGRISA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162510 1201523830 /nfs/dbraw/zinc/52/38/30/1201523830.db2.gz IANZDBQWUUYWTP-WOZUAGRISA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162510 1201523836 /nfs/dbraw/zinc/52/38/36/1201523836.db2.gz IANZDBQWUUYWTP-WOZUAGRISA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162510 1201523838 /nfs/dbraw/zinc/52/38/38/1201523838.db2.gz IANZDBQWUUYWTP-WOZUAGRISA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162507 1201523912 /nfs/dbraw/zinc/52/39/12/1201523912.db2.gz IANZDBQWUUYWTP-TUFLPTIASA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162507 1201523915 /nfs/dbraw/zinc/52/39/15/1201523915.db2.gz IANZDBQWUUYWTP-TUFLPTIASA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162507 1201523916 /nfs/dbraw/zinc/52/39/16/1201523916.db2.gz IANZDBQWUUYWTP-TUFLPTIASA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162507 1201523919 /nfs/dbraw/zinc/52/39/19/1201523919.db2.gz IANZDBQWUUYWTP-TUFLPTIASA-N 2 2 398.551 0.973 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402110 1202038525 /nfs/dbraw/zinc/03/85/25/1202038525.db2.gz IEPLTJJHJBEKHG-VUHPKUFZSA-N 2 2 375.517 0.810 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109402110 1202038529 /nfs/dbraw/zinc/03/85/29/1202038529.db2.gz IEPLTJJHJBEKHG-VUHPKUFZSA-N 2 2 375.517 0.810 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718807 1202111417 /nfs/dbraw/zinc/11/14/17/1202111417.db2.gz LDQYWLXIWBCSBD-MHORFTMASA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718807 1202111419 /nfs/dbraw/zinc/11/14/19/1202111419.db2.gz LDQYWLXIWBCSBD-MHORFTMASA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109718807 1202111421 /nfs/dbraw/zinc/11/14/21/1202111421.db2.gz LDQYWLXIWBCSBD-MHORFTMASA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109718807 1202111423 /nfs/dbraw/zinc/11/14/23/1202111423.db2.gz LDQYWLXIWBCSBD-MHORFTMASA-N 2 2 375.517 0.812 20 30 GCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C#Cc3cccnc3)CC2)C1=O ZINC001177776944 1205775323 /nfs/dbraw/zinc/77/53/23/1205775323.db2.gz IIZZUXSDTBWFSG-UHFFFAOYSA-N 2 2 383.496 0.130 20 30 GCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C#Cc3cccnc3)CC2)C1=O ZINC001177776944 1205775324 /nfs/dbraw/zinc/77/53/24/1205775324.db2.gz IIZZUXSDTBWFSG-UHFFFAOYSA-N 2 2 383.496 0.130 20 30 GCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccccc3C#N)CC2)C1=O ZINC001181798923 1205850219 /nfs/dbraw/zinc/85/02/19/1205850219.db2.gz RPZZTXMNZZBZOF-UHFFFAOYSA-N 2 2 397.523 0.798 20 30 GCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccccc3C#N)CC2)C1=O ZINC001181798923 1205850221 /nfs/dbraw/zinc/85/02/21/1205850221.db2.gz RPZZTXMNZZBZOF-UHFFFAOYSA-N 2 2 397.523 0.798 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001183043465 1205885761 /nfs/dbraw/zinc/88/57/61/1205885761.db2.gz SJCPGGRMSUUBAI-FXAWDEMLSA-N 2 2 379.501 0.893 20 30 GCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323293 1205979307 /nfs/dbraw/zinc/97/93/07/1205979307.db2.gz UQIJIQJRFGNMTA-FCGDIQPGSA-N 2 2 390.528 0.439 20 30 GCEDLP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323293 1205979309 /nfs/dbraw/zinc/97/93/09/1205979309.db2.gz UQIJIQJRFGNMTA-FCGDIQPGSA-N 2 2 390.528 0.439 20 30 GCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323293 1205979312 /nfs/dbraw/zinc/97/93/12/1205979312.db2.gz UQIJIQJRFGNMTA-FCGDIQPGSA-N 2 2 390.528 0.439 20 30 GCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323293 1205979313 /nfs/dbraw/zinc/97/93/13/1205979313.db2.gz UQIJIQJRFGNMTA-FCGDIQPGSA-N 2 2 390.528 0.439 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644844219 1192345320 /nfs/dbraw/zinc/34/53/20/1192345320.db2.gz NLNHSNXJROFOEU-WDSOQIARSA-N 2 2 392.544 0.711 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644844219 1192345324 /nfs/dbraw/zinc/34/53/24/1192345324.db2.gz NLNHSNXJROFOEU-WDSOQIARSA-N 2 2 392.544 0.711 20 30 GCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112532119 1192361403 /nfs/dbraw/zinc/36/14/03/1192361403.db2.gz IMODFZVTQZHSFO-ROYATCLZSA-N 2 2 384.484 0.382 20 30 GCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(C)C ZINC000276586293 1185916950 /nfs/dbraw/zinc/91/69/50/1185916950.db2.gz UPZQXDUGZVTMGX-QZTJIDSGSA-N 2 2 395.548 0.513 20 30 GCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C(C)C ZINC000276586293 1185916953 /nfs/dbraw/zinc/91/69/53/1185916953.db2.gz UPZQXDUGZVTMGX-QZTJIDSGSA-N 2 2 395.548 0.513 20 30 GCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(C)C ZINC000276586291 1185917045 /nfs/dbraw/zinc/91/70/45/1185917045.db2.gz UPZQXDUGZVTMGX-MSOLQXFVSA-N 2 2 395.548 0.513 20 30 GCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C(C)C ZINC000276586291 1185917046 /nfs/dbraw/zinc/91/70/46/1185917046.db2.gz UPZQXDUGZVTMGX-MSOLQXFVSA-N 2 2 395.548 0.513 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000891606542 1185940152 /nfs/dbraw/zinc/94/01/52/1185940152.db2.gz GQUBWWDWSFAPOZ-IBGZPJMESA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000891606542 1185940154 /nfs/dbraw/zinc/94/01/54/1185940154.db2.gz GQUBWWDWSFAPOZ-IBGZPJMESA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000891606542 1185940157 /nfs/dbraw/zinc/94/01/57/1185940157.db2.gz GQUBWWDWSFAPOZ-IBGZPJMESA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000891606542 1185940160 /nfs/dbraw/zinc/94/01/60/1185940160.db2.gz GQUBWWDWSFAPOZ-IBGZPJMESA-N 2 2 397.523 0.981 20 30 GCEDLP CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262012714 1193935935 /nfs/dbraw/zinc/93/59/35/1193935935.db2.gz XASCCRRFXOMQBF-PKOBYXMFSA-N 2 2 389.548 0.896 20 30 GCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273474391 1194566137 /nfs/dbraw/zinc/56/61/37/1194566137.db2.gz JZCILFDMNGIZTD-CQSZACIVSA-N 2 2 383.474 0.757 20 30 GCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273474391 1194566140 /nfs/dbraw/zinc/56/61/40/1194566140.db2.gz JZCILFDMNGIZTD-CQSZACIVSA-N 2 2 383.474 0.757 20 30 GCEDLP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261951109 1195213842 /nfs/dbraw/zinc/21/38/42/1195213842.db2.gz HKXPSORDAQCKNG-XHSDSOJGSA-N 2 2 382.534 0.765 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550580657 1196093307 /nfs/dbraw/zinc/09/33/07/1196093307.db2.gz IPTSYSDWWGQWOY-IYBDPMFKSA-N 2 2 380.533 0.757 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550580657 1196093310 /nfs/dbraw/zinc/09/33/10/1196093310.db2.gz IPTSYSDWWGQWOY-IYBDPMFKSA-N 2 2 380.533 0.757 20 30 GCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049358 1196246359 /nfs/dbraw/zinc/24/63/59/1196246359.db2.gz DXRBLVHLECKNRE-WCIQWLHISA-N 2 2 375.513 0.670 20 30 GCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049358 1196246360 /nfs/dbraw/zinc/24/63/60/1196246360.db2.gz DXRBLVHLECKNRE-WCIQWLHISA-N 2 2 375.513 0.670 20 30 GCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049511 1196246371 /nfs/dbraw/zinc/24/63/71/1196246371.db2.gz LUWHYTJQKLSSLR-WCIQWLHISA-N 2 2 375.513 0.670 20 30 GCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]2C1 ZINC001088049511 1196246373 /nfs/dbraw/zinc/24/63/73/1196246373.db2.gz LUWHYTJQKLSSLR-WCIQWLHISA-N 2 2 375.513 0.670 20 30 GCEDLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000531356976 1197067251 /nfs/dbraw/zinc/06/72/51/1197067251.db2.gz BOLAWKDDZVLNCX-UHFFFAOYSA-N 2 2 380.514 0.425 20 30 GCEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263104546 1197233319 /nfs/dbraw/zinc/23/33/19/1197233319.db2.gz OWVFVPRYBOACNT-SFHVURJKSA-N 3 2 380.581 0.432 20 30 GCEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263104546 1197233322 /nfs/dbraw/zinc/23/33/22/1197233322.db2.gz OWVFVPRYBOACNT-SFHVURJKSA-N 3 2 380.581 0.432 20 30 GCEDLP CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000437466267 1200776658 /nfs/dbraw/zinc/77/66/58/1200776658.db2.gz IRAQCIGJMARVBE-UHFFFAOYSA-N 2 2 389.504 0.759 20 30 GCEDLP CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000437466267 1200776668 /nfs/dbraw/zinc/77/66/68/1200776668.db2.gz IRAQCIGJMARVBE-UHFFFAOYSA-N 2 2 389.504 0.759 20 30 GCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000923365216 1200965503 /nfs/dbraw/zinc/96/55/03/1200965503.db2.gz CVXHWALRGSTRDE-QGZVFWFLSA-N 2 2 382.468 0.872 20 30 GCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000923369350 1200969117 /nfs/dbraw/zinc/96/91/17/1200969117.db2.gz XVVDXXNJXSTOSF-QGZVFWFLSA-N 2 2 382.468 0.872 20 30 GCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000923369347 1200969242 /nfs/dbraw/zinc/96/92/42/1200969242.db2.gz XVVDXXNJXSTOSF-KRWDZBQOSA-N 2 2 382.468 0.872 20 30 GCEDLP CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611581362 1201105544 /nfs/dbraw/zinc/10/55/44/1201105544.db2.gz COUWUBDAUYBTFJ-CQSZACIVSA-N 2 2 388.520 0.606 20 30 GCEDLP CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611581362 1201105548 /nfs/dbraw/zinc/10/55/48/1201105548.db2.gz COUWUBDAUYBTFJ-CQSZACIVSA-N 2 2 388.520 0.606 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CCC[N@H+](CC#C)C3)CCC2)C1 ZINC000923567467 1201130023 /nfs/dbraw/zinc/13/00/23/1201130023.db2.gz AOCJXJGEKQWTHW-RTBURBONSA-N 2 2 384.524 0.584 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CCC[N@@H+](CC#C)C3)CCC2)C1 ZINC000923567467 1201130028 /nfs/dbraw/zinc/13/00/28/1201130028.db2.gz AOCJXJGEKQWTHW-RTBURBONSA-N 2 2 384.524 0.584 20 30 GCEDLP COC(=O)CCC[NH+]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000727059670 1201332478 /nfs/dbraw/zinc/33/24/78/1201332478.db2.gz TXQNLEWBKBMHNZ-UHFFFAOYSA-N 2 2 399.561 0.578 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443062 1202051960 /nfs/dbraw/zinc/05/19/60/1202051960.db2.gz TVNPJUGYADMSKD-ZSXDVEMLSA-N 2 2 392.544 0.852 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443062 1202051962 /nfs/dbraw/zinc/05/19/62/1202051962.db2.gz TVNPJUGYADMSKD-ZSXDVEMLSA-N 2 2 392.544 0.852 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109443062 1202051964 /nfs/dbraw/zinc/05/19/64/1202051964.db2.gz TVNPJUGYADMSKD-ZSXDVEMLSA-N 2 2 392.544 0.852 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109443062 1202051966 /nfs/dbraw/zinc/05/19/66/1202051966.db2.gz TVNPJUGYADMSKD-ZSXDVEMLSA-N 2 2 392.544 0.852 20 30 GCEDLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CCCCC1 ZINC001109555479 1202079831 /nfs/dbraw/zinc/07/98/31/1202079831.db2.gz SGWPAJFLZNCCIO-IKGGRYGDSA-N 2 2 375.517 0.860 20 30 GCEDLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CCCCC1 ZINC001109555479 1202079834 /nfs/dbraw/zinc/07/98/34/1202079834.db2.gz SGWPAJFLZNCCIO-IKGGRYGDSA-N 2 2 375.517 0.860 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005821 1202172519 /nfs/dbraw/zinc/17/25/19/1202172519.db2.gz FJAHCXPPFTUXCE-PMPSAXMXSA-N 2 2 379.505 0.452 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005821 1202172522 /nfs/dbraw/zinc/17/25/22/1202172522.db2.gz FJAHCXPPFTUXCE-PMPSAXMXSA-N 2 2 379.505 0.452 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110022440 1202175655 /nfs/dbraw/zinc/17/56/55/1202175655.db2.gz XXNNCPOTKGADST-WCVJEAGWSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110022440 1202175658 /nfs/dbraw/zinc/17/56/58/1202175658.db2.gz XXNNCPOTKGADST-WCVJEAGWSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022440 1202175660 /nfs/dbraw/zinc/17/56/60/1202175660.db2.gz XXNNCPOTKGADST-WCVJEAGWSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022440 1202175661 /nfs/dbraw/zinc/17/56/61/1202175661.db2.gz XXNNCPOTKGADST-WCVJEAGWSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130012188 1205528439 /nfs/dbraw/zinc/52/84/39/1205528439.db2.gz TWOARFOQNHTJHH-KONPQCLYSA-N 2 2 385.472 0.359 20 30 GCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)O1 ZINC001130790259 1205571032 /nfs/dbraw/zinc/57/10/32/1205571032.db2.gz PPGJFBBVBLGNOA-QKPAOTATSA-N 2 2 392.504 0.526 20 30 GCEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)n2)O1 ZINC001130790259 1205571033 /nfs/dbraw/zinc/57/10/33/1205571033.db2.gz PPGJFBBVBLGNOA-QKPAOTATSA-N 2 2 392.504 0.526 20 30 GCEDLP C#CCNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000747818655 1205668673 /nfs/dbraw/zinc/66/86/73/1205668673.db2.gz YROVIBPWNPZTMV-UHFFFAOYSA-N 2 2 382.508 0.792 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573286352 946804558 /nfs/dbraw/zinc/80/45/58/946804558.db2.gz ZJSJMFWCFCTBON-RKVPGOIHSA-N 2 2 394.483 0.548 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573286352 946804571 /nfs/dbraw/zinc/80/45/71/946804571.db2.gz ZJSJMFWCFCTBON-RKVPGOIHSA-N 2 2 394.483 0.548 20 30 GCEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000430390014 1184639950 /nfs/dbraw/zinc/63/99/50/1184639950.db2.gz CNVHZLWYLUGCJD-FUHWJXTLSA-N 2 2 380.533 0.568 20 30 GCEDLP C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430390014 1184639953 /nfs/dbraw/zinc/63/99/53/1184639953.db2.gz CNVHZLWYLUGCJD-FUHWJXTLSA-N 2 2 380.533 0.568 20 30 GCEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001112486375 1184868757 /nfs/dbraw/zinc/86/87/57/1184868757.db2.gz OXOHKZKQNPLUKZ-JTJHWIPRSA-N 2 2 375.513 0.718 20 30 GCEDLP COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000275696784 1184941576 /nfs/dbraw/zinc/94/15/76/1184941576.db2.gz NMDOQBRHUWXDHM-UHFFFAOYSA-N 2 2 387.484 0.990 20 30 GCEDLP COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275696784 1184941579 /nfs/dbraw/zinc/94/15/79/1184941579.db2.gz NMDOQBRHUWXDHM-UHFFFAOYSA-N 2 2 387.484 0.990 20 30 GCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C(C)C ZINC000276586295 1185917198 /nfs/dbraw/zinc/91/71/98/1185917198.db2.gz UPZQXDUGZVTMGX-ROUUACIJSA-N 2 2 395.548 0.513 20 30 GCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C(C)C ZINC000276586295 1185917199 /nfs/dbraw/zinc/91/71/99/1185917199.db2.gz UPZQXDUGZVTMGX-ROUUACIJSA-N 2 2 395.548 0.513 20 30 GCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000891607102 1185940945 /nfs/dbraw/zinc/94/09/45/1185940945.db2.gz QTGIIDMROLHTEM-SFHVURJKSA-N 2 2 399.495 0.729 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000891607102 1185940950 /nfs/dbraw/zinc/94/09/50/1185940950.db2.gz QTGIIDMROLHTEM-SFHVURJKSA-N 2 2 399.495 0.729 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431755267 1187682816 /nfs/dbraw/zinc/68/28/16/1187682816.db2.gz OXHFOSKRYGFUSH-UHFFFAOYSA-N 2 2 387.484 0.932 20 30 GCEDLP C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122421 1187725013 /nfs/dbraw/zinc/72/50/13/1187725013.db2.gz ARICHSJIOSSWDP-GHTZIAJQSA-N 2 2 399.495 0.779 20 30 GCEDLP C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122421 1187725021 /nfs/dbraw/zinc/72/50/21/1187725021.db2.gz ARICHSJIOSSWDP-GHTZIAJQSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@H](O)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000414122421 1187725026 /nfs/dbraw/zinc/72/50/26/1187725026.db2.gz ARICHSJIOSSWDP-GHTZIAJQSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@H](O)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000414122421 1187725031 /nfs/dbraw/zinc/72/50/31/1187725031.db2.gz ARICHSJIOSSWDP-GHTZIAJQSA-N 2 2 399.495 0.779 20 30 GCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+]1CC#CCOC ZINC001691488455 1189761166 /nfs/dbraw/zinc/76/11/66/1189761166.db2.gz RYKUBTQRAFDEMR-WCIQWLHISA-N 2 2 393.528 0.485 20 30 GCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+]1CC#CCOC ZINC001691488455 1189761170 /nfs/dbraw/zinc/76/11/70/1189761170.db2.gz RYKUBTQRAFDEMR-WCIQWLHISA-N 2 2 393.528 0.485 20 30 GCEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2ncccn2)CC1 ZINC000263074394 1193961727 /nfs/dbraw/zinc/96/17/27/1193961727.db2.gz CFSLSGJKEDHWDJ-LJQANCHMSA-N 2 2 395.511 0.814 20 30 GCEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2ncccn2)CC1 ZINC000263074394 1193961731 /nfs/dbraw/zinc/96/17/31/1193961731.db2.gz CFSLSGJKEDHWDJ-LJQANCHMSA-N 2 2 395.511 0.814 20 30 GCEDLP C=C[C@](C)(CCOC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000437856638 1195168116 /nfs/dbraw/zinc/16/81/16/1195168116.db2.gz XVEZCTROJLWOEQ-OAQYLSRUSA-N 2 2 394.560 0.912 20 30 GCEDLP C=C[C@@](C)(CCOC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000437856637 1195168410 /nfs/dbraw/zinc/16/84/10/1195168410.db2.gz XVEZCTROJLWOEQ-NRFANRHFSA-N 2 2 394.560 0.912 20 30 GCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000331217701 1195723981 /nfs/dbraw/zinc/72/39/81/1195723981.db2.gz QXOJPKSDZHIABS-UHFFFAOYSA-N 2 2 383.537 0.496 20 30 GCEDLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000331217701 1195723985 /nfs/dbraw/zinc/72/39/85/1195723985.db2.gz QXOJPKSDZHIABS-UHFFFAOYSA-N 2 2 383.537 0.496 20 30 GCEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000451685702 1197009899 /nfs/dbraw/zinc/00/98/99/1197009899.db2.gz XZCHXTZKRDOGOI-CVEARBPZSA-N 2 2 385.472 0.335 20 30 GCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262791091 1197163039 /nfs/dbraw/zinc/16/30/39/1197163039.db2.gz NYGUMIYSAKAVSF-MRXNPFEDSA-N 2 2 383.562 0.324 20 30 GCEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000556344826 1201111658 /nfs/dbraw/zinc/11/16/58/1201111658.db2.gz WYKKWENHOQFUKE-HNNXBMFYSA-N 2 2 396.499 0.860 20 30 GCEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000556344826 1201111663 /nfs/dbraw/zinc/11/16/63/1201111663.db2.gz WYKKWENHOQFUKE-HNNXBMFYSA-N 2 2 396.499 0.860 20 30 GCEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000611244152 1201225851 /nfs/dbraw/zinc/22/58/51/1201225851.db2.gz FIXVOZMOLYFVEV-QUCCMNQESA-N 2 2 386.496 0.906 20 30 GCEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000611244152 1201225860 /nfs/dbraw/zinc/22/58/60/1201225860.db2.gz FIXVOZMOLYFVEV-QUCCMNQESA-N 2 2 386.496 0.906 20 30 GCEDLP CNC(=O)CNC(=S)N[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000731929055 1201511607 /nfs/dbraw/zinc/51/16/07/1201511607.db2.gz LMISIAXHTKUQHK-UHFFFAOYSA-N 2 2 376.530 0.761 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109410787 1202039537 /nfs/dbraw/zinc/03/95/37/1202039537.db2.gz VVJMNBVFCZEFSB-PMPSAXMXSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410787 1202039540 /nfs/dbraw/zinc/03/95/40/1202039540.db2.gz VVJMNBVFCZEFSB-PMPSAXMXSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410787 1202039542 /nfs/dbraw/zinc/03/95/42/1202039542.db2.gz VVJMNBVFCZEFSB-PMPSAXMXSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410787 1202039544 /nfs/dbraw/zinc/03/95/44/1202039544.db2.gz VVJMNBVFCZEFSB-PMPSAXMXSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733573 1202114736 /nfs/dbraw/zinc/11/47/36/1202114736.db2.gz WIYLDWICXIWGLL-MHORFTMASA-N 2 2 378.517 0.511 20 30 GCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733573 1202114738 /nfs/dbraw/zinc/11/47/38/1202114738.db2.gz WIYLDWICXIWGLL-MHORFTMASA-N 2 2 378.517 0.511 20 30 GCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001130221071 1205537899 /nfs/dbraw/zinc/53/78/99/1205537899.db2.gz SHTVCEMYFYETKE-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001130221071 1205537900 /nfs/dbraw/zinc/53/79/00/1205537900.db2.gz SHTVCEMYFYETKE-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130221071 1205537902 /nfs/dbraw/zinc/53/79/02/1205537902.db2.gz SHTVCEMYFYETKE-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130221071 1205537903 /nfs/dbraw/zinc/53/79/03/1205537903.db2.gz SHTVCEMYFYETKE-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103189 1205628284 /nfs/dbraw/zinc/62/82/84/1205628284.db2.gz IYLGMYVNUMJZPQ-FZKCQIBNSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103189 1205628286 /nfs/dbraw/zinc/62/82/86/1205628286.db2.gz IYLGMYVNUMJZPQ-FZKCQIBNSA-N 2 2 377.489 0.204 20 30 GCEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000261721380 1185385751 /nfs/dbraw/zinc/38/57/51/1185385751.db2.gz WWJVTTFEQJRBHL-GVDBMIGSSA-N 2 2 398.573 0.618 20 30 GCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000891607537 1185938278 /nfs/dbraw/zinc/93/82/78/1185938278.db2.gz OIFPPUFSWCOTKI-HXUWFJFHSA-N 2 2 397.523 0.586 20 30 GCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000891607537 1185938282 /nfs/dbraw/zinc/93/82/82/1185938282.db2.gz OIFPPUFSWCOTKI-HXUWFJFHSA-N 2 2 397.523 0.586 20 30 GCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000891605483 1185939008 /nfs/dbraw/zinc/93/90/08/1185939008.db2.gz FONUTZJQTXOLEB-KRWDZBQOSA-N 2 2 383.496 0.591 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000891605483 1185939013 /nfs/dbraw/zinc/93/90/13/1185939013.db2.gz FONUTZJQTXOLEB-KRWDZBQOSA-N 2 2 383.496 0.591 20 30 GCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000891607100 1185941115 /nfs/dbraw/zinc/94/11/15/1185941115.db2.gz QTGIIDMROLHTEM-GOSISDBHSA-N 2 2 399.495 0.729 20 30 GCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000891607100 1185941117 /nfs/dbraw/zinc/94/11/17/1185941117.db2.gz QTGIIDMROLHTEM-GOSISDBHSA-N 2 2 399.495 0.729 20 30 GCEDLP CC(C)CCNC(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104170862 1186343315 /nfs/dbraw/zinc/34/33/15/1186343315.db2.gz WYMUHBAVTLDAAZ-UHFFFAOYSA-N 2 2 382.534 0.484 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000378436596 1189506953 /nfs/dbraw/zinc/50/69/53/1189506953.db2.gz QJSCITBMBVAMBC-LWYYNNOASA-N 2 2 391.560 0.862 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000378436596 1189506955 /nfs/dbraw/zinc/50/69/55/1189506955.db2.gz QJSCITBMBVAMBC-LWYYNNOASA-N 2 2 391.560 0.862 20 30 GCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261833448 1193928082 /nfs/dbraw/zinc/92/80/82/1193928082.db2.gz VOSQDWYODJZYQI-UHFFFAOYSA-N 2 2 379.534 0.083 20 30 GCEDLP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970600 1193933723 /nfs/dbraw/zinc/93/37/23/1193933723.db2.gz MPCOTHGPWLMNGL-SJLPKXTDSA-N 2 2 375.521 0.506 20 30 GCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261996459 1195332566 /nfs/dbraw/zinc/33/25/66/1195332566.db2.gz SOCXSNRUJLQLST-QGZVFWFLSA-N 2 2 396.605 0.239 20 30 GCEDLP C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330155695 1196256603 /nfs/dbraw/zinc/25/66/03/1196256603.db2.gz YKXFKSKXSIJENX-BBWFWOEESA-N 2 2 381.521 0.248 20 30 GCEDLP C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330155695 1196256606 /nfs/dbraw/zinc/25/66/06/1196256606.db2.gz YKXFKSKXSIJENX-BBWFWOEESA-N 2 2 381.521 0.248 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672355646 1199215677 /nfs/dbraw/zinc/21/56/77/1199215677.db2.gz JNJAREDOKXTRDL-QGZVFWFLSA-N 3 2 377.533 0.038 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672355646 1199215682 /nfs/dbraw/zinc/21/56/82/1199215682.db2.gz JNJAREDOKXTRDL-QGZVFWFLSA-N 3 2 377.533 0.038 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001003677734 1199623420 /nfs/dbraw/zinc/62/34/20/1199623420.db2.gz ZLQKEYVKODGNRH-SLHNCBLASA-N 2 2 382.508 0.430 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001003677734 1199623424 /nfs/dbraw/zinc/62/34/24/1199623424.db2.gz ZLQKEYVKODGNRH-SLHNCBLASA-N 2 2 382.508 0.430 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C2 ZINC001003677734 1199623429 /nfs/dbraw/zinc/62/34/29/1199623429.db2.gz ZLQKEYVKODGNRH-SLHNCBLASA-N 2 2 382.508 0.430 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C2 ZINC001003677734 1199623432 /nfs/dbraw/zinc/62/34/32/1199623432.db2.gz ZLQKEYVKODGNRH-SLHNCBLASA-N 2 2 382.508 0.430 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563668 1201134757 /nfs/dbraw/zinc/13/47/57/1201134757.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563668 1201134766 /nfs/dbraw/zinc/13/47/66/1201134766.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563668 1201134775 /nfs/dbraw/zinc/13/47/75/1201134775.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563668 1201134784 /nfs/dbraw/zinc/13/47/84/1201134784.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995384 1201530945 /nfs/dbraw/zinc/53/09/45/1201530945.db2.gz BBMXKMBISCRMHL-ZRNYENFQSA-N 2 2 375.513 0.812 20 30 GCEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995384 1201530949 /nfs/dbraw/zinc/53/09/49/1201530949.db2.gz BBMXKMBISCRMHL-ZRNYENFQSA-N 2 2 375.513 0.812 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000733148999 1201576810 /nfs/dbraw/zinc/57/68/10/1201576810.db2.gz SYDQYTBPUZKTSF-HXUWFJFHSA-N 2 2 397.523 0.577 20 30 GCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000733148999 1201576819 /nfs/dbraw/zinc/57/68/19/1201576819.db2.gz SYDQYTBPUZKTSF-HXUWFJFHSA-N 2 2 397.523 0.577 20 30 GCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000733148999 1201576826 /nfs/dbraw/zinc/57/68/26/1201576826.db2.gz SYDQYTBPUZKTSF-HXUWFJFHSA-N 2 2 397.523 0.577 20 30 GCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000733148999 1201576839 /nfs/dbraw/zinc/57/68/39/1201576839.db2.gz SYDQYTBPUZKTSF-HXUWFJFHSA-N 2 2 397.523 0.577 20 30 GCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512376 1202069242 /nfs/dbraw/zinc/06/92/42/1202069242.db2.gz DTTWQPLFRYBQSZ-NJAFHUGGSA-N 2 2 380.452 0.905 20 30 GCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001109512376 1202069243 /nfs/dbraw/zinc/06/92/43/1202069243.db2.gz DTTWQPLFRYBQSZ-NJAFHUGGSA-N 2 2 380.452 0.905 20 30 GCEDLP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109848004 1202134911 /nfs/dbraw/zinc/13/49/11/1202134911.db2.gz QYTLSBPNAAPUPO-VSZNYVQBSA-N 2 2 376.501 0.217 20 30 GCEDLP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109848004 1202134912 /nfs/dbraw/zinc/13/49/12/1202134912.db2.gz QYTLSBPNAAPUPO-VSZNYVQBSA-N 2 2 376.501 0.217 20 30 GCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129850290 1205520910 /nfs/dbraw/zinc/52/09/10/1205520910.db2.gz WXFXRSJPEHFILV-MKXGPGLRSA-N 2 2 393.495 0.810 20 30 GCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n[nH]2)O1 ZINC001130782961 1205569936 /nfs/dbraw/zinc/56/99/36/1205569936.db2.gz HKBUMWQDLZXRQY-MWDXBVQZSA-N 2 2 388.516 0.984 20 30 GCEDLP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)n[nH]2)O1 ZINC001130782961 1205569938 /nfs/dbraw/zinc/56/99/38/1205569938.db2.gz HKBUMWQDLZXRQY-MWDXBVQZSA-N 2 2 388.516 0.984 20 30 GCEDLP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)n2)O1 ZINC001130809452 1205572560 /nfs/dbraw/zinc/57/25/60/1205572560.db2.gz ZACZNBSFZGLIMB-DSJMHWKBSA-N 2 2 385.472 0.954 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC 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/nfs/dbraw/zinc/69/44/24/1195694424.db2.gz LMOKDDXJDARDEY-MCIONIFRSA-N 2 2 393.454 0.925 20 30 GCEDLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330525619 1195694425 /nfs/dbraw/zinc/69/44/25/1195694425.db2.gz LMOKDDXJDARDEY-MCIONIFRSA-N 2 2 393.454 0.925 20 30 GCEDLP CN(C(=O)NCc1nnn(C)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000330318469 1196280892 /nfs/dbraw/zinc/28/08/92/1196280892.db2.gz QXEWHXYAFSCWOI-CVEARBPZSA-N 2 2 378.525 0.893 20 30 GCEDLP CN(C(=O)NCc1nnn(C)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000330318469 1196280893 /nfs/dbraw/zinc/28/08/93/1196280893.db2.gz QXEWHXYAFSCWOI-CVEARBPZSA-N 2 2 378.525 0.893 20 30 GCEDLP CN(C(=O)NCc1nnn(C)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000330318470 1196280909 /nfs/dbraw/zinc/28/09/09/1196280909.db2.gz QXEWHXYAFSCWOI-HZPDHXFCSA-N 2 2 378.525 0.893 20 30 GCEDLP CN(C(=O)NCc1nnn(C)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000330318470 1196280911 /nfs/dbraw/zinc/28/09/11/1196280911.db2.gz QXEWHXYAFSCWOI-HZPDHXFCSA-N 2 2 378.525 0.893 20 30 GCEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000527128401 1196765776 /nfs/dbraw/zinc/76/57/76/1196765776.db2.gz RPZQIUNCVUSQIU-UHFFFAOYSA-N 2 2 375.517 0.815 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923593737 1201354808 /nfs/dbraw/zinc/35/48/08/1201354808.db2.gz CNLYFJWOSBNDDM-IYWMVGAKSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923593737 1201354813 /nfs/dbraw/zinc/35/48/13/1201354813.db2.gz CNLYFJWOSBNDDM-IYWMVGAKSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923593737 1201354820 /nfs/dbraw/zinc/35/48/20/1201354820.db2.gz CNLYFJWOSBNDDM-IYWMVGAKSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923593737 1201354826 /nfs/dbraw/zinc/35/48/26/1201354826.db2.gz CNLYFJWOSBNDDM-IYWMVGAKSA-N 2 2 384.524 0.440 20 30 GCEDLP C[NH+](C)CCCNC(=S)N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741809441 1201785635 /nfs/dbraw/zinc/78/56/35/1201785635.db2.gz JHBRTSFVLNQMMG-UHFFFAOYSA-N 2 2 389.529 0.921 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305408 1202018603 /nfs/dbraw/zinc/01/86/03/1202018603.db2.gz HTEQWYNNDHFQKM-DZVNLGKHSA-N 2 2 375.517 0.810 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305408 1202018605 /nfs/dbraw/zinc/01/86/05/1202018605.db2.gz HTEQWYNNDHFQKM-DZVNLGKHSA-N 2 2 375.517 0.810 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305408 1202018609 /nfs/dbraw/zinc/01/86/09/1202018609.db2.gz HTEQWYNNDHFQKM-DZVNLGKHSA-N 2 2 375.517 0.810 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305408 1202018612 /nfs/dbraw/zinc/01/86/12/1202018612.db2.gz HTEQWYNNDHFQKM-DZVNLGKHSA-N 2 2 375.517 0.810 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109726460 1202112716 /nfs/dbraw/zinc/11/27/16/1202112716.db2.gz XDZPPHCHXDVRFG-AABGKKOBSA-N 2 2 382.508 0.632 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109726460 1202112718 /nfs/dbraw/zinc/11/27/18/1202112718.db2.gz XDZPPHCHXDVRFG-AABGKKOBSA-N 2 2 382.508 0.632 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109726460 1202112719 /nfs/dbraw/zinc/11/27/19/1202112719.db2.gz XDZPPHCHXDVRFG-AABGKKOBSA-N 2 2 382.508 0.632 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109726460 1202112721 /nfs/dbraw/zinc/11/27/21/1202112721.db2.gz XDZPPHCHXDVRFG-AABGKKOBSA-N 2 2 382.508 0.632 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001109740146 1202115817 /nfs/dbraw/zinc/11/58/17/1202115817.db2.gz MDZPLMGZNIYNRE-MJCUULBUSA-N 2 2 394.519 0.803 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001109740146 1202115818 /nfs/dbraw/zinc/11/58/18/1202115818.db2.gz MDZPLMGZNIYNRE-MJCUULBUSA-N 2 2 394.519 0.803 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001109740146 1202115819 /nfs/dbraw/zinc/11/58/19/1202115819.db2.gz MDZPLMGZNIYNRE-MJCUULBUSA-N 2 2 394.519 0.803 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001109740146 1202115820 /nfs/dbraw/zinc/11/58/20/1202115820.db2.gz MDZPLMGZNIYNRE-MJCUULBUSA-N 2 2 394.519 0.803 20 30 GCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1n1ccnn1 ZINC001129850224 1205520960 /nfs/dbraw/zinc/52/09/60/1205520960.db2.gz SNXIKJDURFLGEC-MKXGPGLRSA-N 2 2 393.495 0.810 20 30 GCEDLP C[C@@H](Cc1ccc(C#N)cc1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC001172306228 1205715639 /nfs/dbraw/zinc/71/56/39/1205715639.db2.gz XCHUWSKMDWFMQM-JVPBZIDWSA-N 2 2 394.479 0.905 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)CC2)o1 ZINC000150761231 1192189023 /nfs/dbraw/zinc/18/90/23/1192189023.db2.gz CYQKVGLZVYPWTD-KRWDZBQOSA-N 2 2 386.500 0.921 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)CC2)o1 ZINC000150761231 1192189025 /nfs/dbraw/zinc/18/90/25/1192189025.db2.gz CYQKVGLZVYPWTD-KRWDZBQOSA-N 2 2 386.500 0.921 20 30 GCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000891605484 1185939209 /nfs/dbraw/zinc/93/92/09/1185939209.db2.gz FONUTZJQTXOLEB-QGZVFWFLSA-N 2 2 383.496 0.591 20 30 GCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000891605484 1185939212 /nfs/dbraw/zinc/93/92/12/1185939212.db2.gz FONUTZJQTXOLEB-QGZVFWFLSA-N 2 2 383.496 0.591 20 30 GCEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001104439730 1186768291 /nfs/dbraw/zinc/76/82/91/1186768291.db2.gz PFDHYQHZGHCHNL-WTGUMLROSA-N 2 2 377.529 0.964 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000278381447 1186921759 /nfs/dbraw/zinc/92/17/59/1186921759.db2.gz LONKIPPECJUEQH-ZWKOTPCHSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000278381447 1186921762 /nfs/dbraw/zinc/92/17/62/1186921762.db2.gz LONKIPPECJUEQH-ZWKOTPCHSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[N@@H+](C)C[C@H]1CNc1nc(NC[C@H]2C[NH+](C)CCN2C)ccc1C#N ZINC000278381447 1186921766 /nfs/dbraw/zinc/92/17/66/1186921766.db2.gz LONKIPPECJUEQH-ZWKOTPCHSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[N@H+](C)C[C@H]1CNc1nc(NC[C@H]2C[NH+](C)CCN2C)ccc1C#N ZINC000278381447 1186921768 /nfs/dbraw/zinc/92/17/68/1186921768.db2.gz LONKIPPECJUEQH-ZWKOTPCHSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[N@H+](C)C[C@H]1CNc1ccc(C#N)c(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000278381441 1186922074 /nfs/dbraw/zinc/92/20/74/1186922074.db2.gz LONKIPPECJUEQH-MSOLQXFVSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[N@@H+](C)C[C@H]1CNc1ccc(C#N)c(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000278381441 1186922080 /nfs/dbraw/zinc/92/20/80/1186922080.db2.gz LONKIPPECJUEQH-MSOLQXFVSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1ccc(C#N)c(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000278381441 1186922083 /nfs/dbraw/zinc/92/20/83/1186922083.db2.gz LONKIPPECJUEQH-MSOLQXFVSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1ccc(C#N)c(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000278381441 1186922086 /nfs/dbraw/zinc/92/20/86/1186922086.db2.gz LONKIPPECJUEQH-MSOLQXFVSA-N 2 2 386.548 0.269 20 30 GCEDLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330242427 1189722991 /nfs/dbraw/zinc/72/29/91/1189722991.db2.gz CDUSDKDZQOGANP-UYAOXDASSA-N 2 2 376.501 0.800 20 30 GCEDLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330242427 1189722998 /nfs/dbraw/zinc/72/29/98/1189722998.db2.gz CDUSDKDZQOGANP-UYAOXDASSA-N 2 2 376.501 0.800 20 30 GCEDLP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330242427 1189723004 /nfs/dbraw/zinc/72/30/04/1189723004.db2.gz CDUSDKDZQOGANP-UYAOXDASSA-N 2 2 376.501 0.800 20 30 GCEDLP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330242427 1189723010 /nfs/dbraw/zinc/72/30/10/1189723010.db2.gz CDUSDKDZQOGANP-UYAOXDASSA-N 2 2 376.501 0.800 20 30 GCEDLP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261970598 1193933869 /nfs/dbraw/zinc/93/38/69/1193933869.db2.gz MPCOTHGPWLMNGL-AEFFLSMTSA-N 2 2 375.521 0.506 20 30 GCEDLP CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262012711 1193936022 /nfs/dbraw/zinc/93/60/22/1193936022.db2.gz XASCCRRFXOMQBF-IEBWSBKVSA-N 2 2 389.548 0.896 20 30 GCEDLP C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@H]1C[N@H+](C)CCO1 ZINC000262507623 1193949722 /nfs/dbraw/zinc/94/97/22/1193949722.db2.gz LNHGTLSOANIRSL-KRWDZBQOSA-N 2 2 379.480 0.658 20 30 GCEDLP C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262507623 1193949723 /nfs/dbraw/zinc/94/97/23/1193949723.db2.gz LNHGTLSOANIRSL-KRWDZBQOSA-N 2 2 379.480 0.658 20 30 GCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261854782 1194424488 /nfs/dbraw/zinc/42/44/88/1194424488.db2.gz YLTKZTLWWRHVRP-SFHVURJKSA-N 2 2 396.561 0.311 20 30 GCEDLP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019128 1195421005 /nfs/dbraw/zinc/42/10/05/1195421005.db2.gz YKQKYSCRXPTOMO-JYJNAYRXSA-N 2 2 382.534 0.623 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000550381034 1195648691 /nfs/dbraw/zinc/64/86/91/1195648691.db2.gz FNHMEGQDUDFFKD-GOSISDBHSA-N 2 2 379.549 0.141 20 30 GCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262791086 1197163100 /nfs/dbraw/zinc/16/31/00/1197163100.db2.gz NYGUMIYSAKAVSF-INIZCTEOSA-N 2 2 383.562 0.324 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000767864526 1201990312 /nfs/dbraw/zinc/99/03/12/1201990312.db2.gz DIXSHAFTSBODFT-SFHVURJKSA-N 2 2 383.558 0.689 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401589 1202038308 /nfs/dbraw/zinc/03/83/08/1202038308.db2.gz ADJUEYUXGOAQLT-WBTNSWJXSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109401589 1202038311 /nfs/dbraw/zinc/03/83/11/1202038311.db2.gz ADJUEYUXGOAQLT-WBTNSWJXSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109443111 1202052124 /nfs/dbraw/zinc/05/21/24/1202052124.db2.gz VZFQTTABPSLYAP-ZSXDVEMLSA-N 2 2 390.528 0.628 20 30 GCEDLP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109443111 1202052129 /nfs/dbraw/zinc/05/21/29/1202052129.db2.gz VZFQTTABPSLYAP-ZSXDVEMLSA-N 2 2 390.528 0.628 20 30 GCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443111 1202052132 /nfs/dbraw/zinc/05/21/32/1202052132.db2.gz VZFQTTABPSLYAP-ZSXDVEMLSA-N 2 2 390.528 0.628 20 30 GCEDLP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443111 1202052135 /nfs/dbraw/zinc/05/21/35/1202052135.db2.gz VZFQTTABPSLYAP-ZSXDVEMLSA-N 2 2 390.528 0.628 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109718383 1202109807 /nfs/dbraw/zinc/10/98/07/1202109807.db2.gz FRHCUINJJHPJET-MHORFTMASA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109718383 1202109809 /nfs/dbraw/zinc/10/98/09/1202109809.db2.gz FRHCUINJJHPJET-MHORFTMASA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109718383 1202109810 /nfs/dbraw/zinc/10/98/10/1202109810.db2.gz FRHCUINJJHPJET-MHORFTMASA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109718383 1202109813 /nfs/dbraw/zinc/10/98/13/1202109813.db2.gz FRHCUINJJHPJET-MHORFTMASA-N 2 2 375.517 0.954 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868374 1202139839 /nfs/dbraw/zinc/13/98/39/1202139839.db2.gz NRQWJVFXCIOUCR-FZKCQIBNSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868374 1202139841 /nfs/dbraw/zinc/13/98/41/1202139841.db2.gz NRQWJVFXCIOUCR-FZKCQIBNSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110022439 1202175841 /nfs/dbraw/zinc/17/58/41/1202175841.db2.gz XXNNCPOTKGADST-FZKCQIBNSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110022439 1202175842 /nfs/dbraw/zinc/17/58/42/1202175842.db2.gz XXNNCPOTKGADST-FZKCQIBNSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022439 1202175844 /nfs/dbraw/zinc/17/58/44/1202175844.db2.gz XXNNCPOTKGADST-FZKCQIBNSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110022439 1202175846 /nfs/dbraw/zinc/17/58/46/1202175846.db2.gz XXNNCPOTKGADST-FZKCQIBNSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCOC1CCC(n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001173317604 1205719578 /nfs/dbraw/zinc/71/95/78/1205719578.db2.gz LIRQPLDZTCAESJ-KXIUCKCTSA-N 2 2 389.500 0.916 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321997 1205979155 /nfs/dbraw/zinc/97/91/55/1205979155.db2.gz DULZHEIBSGIBOQ-FCGDIQPGSA-N 2 2 392.544 0.663 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321997 1205979157 /nfs/dbraw/zinc/97/91/57/1205979157.db2.gz DULZHEIBSGIBOQ-FCGDIQPGSA-N 2 2 392.544 0.663 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321997 1205979158 /nfs/dbraw/zinc/97/91/58/1205979158.db2.gz DULZHEIBSGIBOQ-FCGDIQPGSA-N 2 2 392.544 0.663 20 30 GCEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321997 1205979161 /nfs/dbraw/zinc/97/91/61/1205979161.db2.gz DULZHEIBSGIBOQ-FCGDIQPGSA-N 2 2 392.544 0.663 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573284915 946762733 /nfs/dbraw/zinc/76/27/33/946762733.db2.gz AMEQEHSILVXBLR-DYVFJYSZSA-N 2 2 385.447 0.698 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573284915 946762739 /nfs/dbraw/zinc/76/27/39/946762739.db2.gz AMEQEHSILVXBLR-DYVFJYSZSA-N 2 2 385.447 0.698 20 30 GCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCc3ccc(-c4nn[nH]n4)cc3)cn2)CC1 ZINC000826045105 607890143 /nfs/dbraw/zinc/89/01/43/607890143.db2.gz POKZMVFWTYIHFA-UHFFFAOYSA-N 2 2 378.444 0.532 20 30 GCEDLP CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000585711615 1192395610 /nfs/dbraw/zinc/39/56/10/1192395610.db2.gz ODKGXTHQPRECTD-LJQANCHMSA-N 2 2 383.496 0.801 20 30 GCEDLP CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000585711615 1192395615 /nfs/dbraw/zinc/39/56/15/1192395615.db2.gz ODKGXTHQPRECTD-LJQANCHMSA-N 2 2 383.496 0.801 20 30 GCEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000261721372 1185386106 /nfs/dbraw/zinc/38/61/06/1185386106.db2.gz WWJVTTFEQJRBHL-BBWFWOEESA-N 2 2 398.573 0.618 20 30 GCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000891608830 1185942199 /nfs/dbraw/zinc/94/21/99/1185942199.db2.gz ZISXDKHRUZSGNS-FQEVSTJZSA-N 2 2 398.507 0.714 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000891608830 1185942202 /nfs/dbraw/zinc/94/22/02/1185942202.db2.gz ZISXDKHRUZSGNS-FQEVSTJZSA-N 2 2 398.507 0.714 20 30 GCEDLP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261952107 1193932965 /nfs/dbraw/zinc/93/29/65/1193932965.db2.gz HRRZMORFTONPRH-UHFFFAOYSA-N 2 2 375.521 0.391 20 30 GCEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000328979058 1195683390 /nfs/dbraw/zinc/68/33/90/1195683390.db2.gz XGPXFCFMNNIJRF-UHOSZYNNSA-N 2 2 379.549 0.912 20 30 GCEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000328979058 1195683392 /nfs/dbraw/zinc/68/33/92/1195683392.db2.gz XGPXFCFMNNIJRF-UHOSZYNNSA-N 2 2 379.549 0.912 20 30 GCEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000328979057 1195683489 /nfs/dbraw/zinc/68/34/89/1195683489.db2.gz XGPXFCFMNNIJRF-QRQLOZEOSA-N 2 2 379.549 0.912 20 30 GCEDLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000328979057 1195683491 /nfs/dbraw/zinc/68/34/91/1195683491.db2.gz XGPXFCFMNNIJRF-QRQLOZEOSA-N 2 2 379.549 0.912 20 30 GCEDLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329405444 1196192778 /nfs/dbraw/zinc/19/27/78/1196192778.db2.gz ZEJRENCDBUQFGZ-UHFFFAOYSA-N 3 2 380.533 0.729 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637486 1199287884 /nfs/dbraw/zinc/28/78/84/1199287884.db2.gz IIMWRQAYQXKSIZ-JZXOWHBKSA-N 2 2 378.517 0.369 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637486 1199287889 /nfs/dbraw/zinc/28/78/89/1199287889.db2.gz IIMWRQAYQXKSIZ-JZXOWHBKSA-N 2 2 378.517 0.369 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162495 1201523549 /nfs/dbraw/zinc/52/35/49/1201523549.db2.gz IANZDBQWUUYWTP-ANULTFPQSA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162495 1201523553 /nfs/dbraw/zinc/52/35/53/1201523553.db2.gz IANZDBQWUUYWTP-ANULTFPQSA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC000732162495 1201523558 /nfs/dbraw/zinc/52/35/58/1201523558.db2.gz IANZDBQWUUYWTP-ANULTFPQSA-N 2 2 398.551 0.973 20 30 GCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC000732162495 1201523562 /nfs/dbraw/zinc/52/35/62/1201523562.db2.gz IANZDBQWUUYWTP-ANULTFPQSA-N 2 2 398.551 0.973 20 30 GCEDLP CCOC(=O)COc1cc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C#N ZINC001169072424 1201932135 /nfs/dbraw/zinc/93/21/35/1201932135.db2.gz RXZMMTUVHQYKFF-SNVBAGLBSA-N 2 2 379.804 0.596 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403783 1202038787 /nfs/dbraw/zinc/03/87/87/1202038787.db2.gz YNGNSQZZGGZESF-ILXRZTDVSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403783 1202038788 /nfs/dbraw/zinc/03/87/88/1202038788.db2.gz YNGNSQZZGGZESF-ILXRZTDVSA-N 2 2 377.489 0.204 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648794 1202098218 /nfs/dbraw/zinc/09/82/18/1202098218.db2.gz DBAYVRWMNBTMCM-IKGGRYGDSA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109648794 1202098222 /nfs/dbraw/zinc/09/82/22/1202098222.db2.gz DBAYVRWMNBTMCM-IKGGRYGDSA-N 2 2 375.517 0.812 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671702 1202103483 /nfs/dbraw/zinc/10/34/83/1202103483.db2.gz YNKILDSJXZMOJN-PMPSAXMXSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671702 1202103484 /nfs/dbraw/zinc/10/34/84/1202103484.db2.gz YNKILDSJXZMOJN-PMPSAXMXSA-N 2 2 377.489 0.062 20 30 GCEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NCCN3CCOCC3)cc2)CC1 ZINC000771555955 1202148685 /nfs/dbraw/zinc/14/86/85/1202148685.db2.gz RQNUOFHVJSIUKZ-UHFFFAOYSA-N 2 2 390.557 0.569 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975766 1202164474 /nfs/dbraw/zinc/16/44/74/1202164474.db2.gz CPWHNFZQRPNLAY-WCVJEAGWSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975766 1202164477 /nfs/dbraw/zinc/16/44/77/1202164477.db2.gz CPWHNFZQRPNLAY-WCVJEAGWSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975766 1202164481 /nfs/dbraw/zinc/16/44/81/1202164481.db2.gz CPWHNFZQRPNLAY-WCVJEAGWSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975766 1202164484 /nfs/dbraw/zinc/16/44/84/1202164484.db2.gz CPWHNFZQRPNLAY-WCVJEAGWSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001130220583 1205537170 /nfs/dbraw/zinc/53/71/70/1205537170.db2.gz FOVWPRBYCQHCNW-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001130220583 1205537172 /nfs/dbraw/zinc/53/71/72/1205537172.db2.gz FOVWPRBYCQHCNW-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130220583 1205537174 /nfs/dbraw/zinc/53/71/74/1205537174.db2.gz FOVWPRBYCQHCNW-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130220583 1205537176 /nfs/dbraw/zinc/53/71/76/1205537176.db2.gz FOVWPRBYCQHCNW-FXUDXRNXSA-N 2 2 392.504 0.178 20 30 GCEDLP C#Cc1ccccc1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000811895420 1205658995 /nfs/dbraw/zinc/65/89/95/1205658995.db2.gz QYSDMBZBHQECSQ-UHFFFAOYSA-N 2 2 396.535 0.907 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001177565022 1205771775 /nfs/dbraw/zinc/77/17/75/1205771775.db2.gz BWNMWTRIDLIPIL-OAQYLSRUSA-N 2 2 396.535 0.833 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573285700 946785593 /nfs/dbraw/zinc/78/55/93/946785593.db2.gz LKZLFNPMCWTFBJ-KRWDZBQOSA-N 2 2 380.456 0.444 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573286156 946797687 /nfs/dbraw/zinc/79/76/87/946797687.db2.gz VBJCZIDKXBLTRG-HNNXBMFYSA-N 2 2 387.513 0.964 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573286156 946797693 /nfs/dbraw/zinc/79/76/93/946797693.db2.gz VBJCZIDKXBLTRG-HNNXBMFYSA-N 2 2 387.513 0.964 20 30 GCEDLP CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000585711612 1192395656 /nfs/dbraw/zinc/39/56/56/1192395656.db2.gz ODKGXTHQPRECTD-IBGZPJMESA-N 2 2 383.496 0.801 20 30 GCEDLP CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000585711612 1192395662 /nfs/dbraw/zinc/39/56/62/1192395662.db2.gz ODKGXTHQPRECTD-IBGZPJMESA-N 2 2 383.496 0.801 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000154268872 1184363636 /nfs/dbraw/zinc/36/36/36/1184363636.db2.gz SBIASBQRWAZHRC-UHFFFAOYSA-N 2 2 398.511 0.307 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000154268872 1184363640 /nfs/dbraw/zinc/36/36/40/1184363640.db2.gz SBIASBQRWAZHRC-UHFFFAOYSA-N 2 2 398.511 0.307 20 30 GCEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000430390015 1184639396 /nfs/dbraw/zinc/63/93/96/1184639396.db2.gz CNVHZLWYLUGCJD-SJLPKXTDSA-N 2 2 380.533 0.568 20 30 GCEDLP C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430390015 1184639397 /nfs/dbraw/zinc/63/93/97/1184639397.db2.gz CNVHZLWYLUGCJD-SJLPKXTDSA-N 2 2 380.533 0.568 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000536019352 1186852324 /nfs/dbraw/zinc/85/23/24/1186852324.db2.gz WXFVEQDVIIPIMP-UHFFFAOYSA-N 2 2 387.532 0.938 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000278381443 1186921902 /nfs/dbraw/zinc/92/19/02/1186921902.db2.gz LONKIPPECJUEQH-QZTJIDSGSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1nc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000278381443 1186921905 /nfs/dbraw/zinc/92/19/05/1186921905.db2.gz LONKIPPECJUEQH-QZTJIDSGSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1ccc(C#N)c(NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000278381443 1186921908 /nfs/dbraw/zinc/92/19/08/1186921908.db2.gz LONKIPPECJUEQH-QZTJIDSGSA-N 2 2 386.548 0.269 20 30 GCEDLP CN1CC[NH+](C)C[C@H]1CNc1ccc(C#N)c(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000278381443 1186921910 /nfs/dbraw/zinc/92/19/10/1186921910.db2.gz LONKIPPECJUEQH-QZTJIDSGSA-N 2 2 386.548 0.269 20 30 GCEDLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)CC1 ZINC000329416173 1186935004 /nfs/dbraw/zinc/93/50/04/1186935004.db2.gz FPQYCUOMQOGCON-UHFFFAOYSA-N 2 2 383.562 0.435 20 30 GCEDLP Cn1cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1C#N ZINC000365198757 1187498219 /nfs/dbraw/zinc/49/82/19/1187498219.db2.gz NIDVHXNBUNSWES-INIZCTEOSA-N 2 2 395.511 0.833 20 30 GCEDLP C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122443 1187725529 /nfs/dbraw/zinc/72/55/29/1187725529.db2.gz ARICHSJIOSSWDP-RXVVDRJESA-N 2 2 399.495 0.779 20 30 GCEDLP C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122443 1187725536 /nfs/dbraw/zinc/72/55/36/1187725536.db2.gz ARICHSJIOSSWDP-RXVVDRJESA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@H](O)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000414122443 1187725539 /nfs/dbraw/zinc/72/55/39/1187725539.db2.gz ARICHSJIOSSWDP-RXVVDRJESA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@H](O)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000414122443 1187725543 /nfs/dbraw/zinc/72/55/43/1187725543.db2.gz ARICHSJIOSSWDP-RXVVDRJESA-N 2 2 399.495 0.779 20 30 GCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433653304 1193928466 /nfs/dbraw/zinc/92/84/66/1193928466.db2.gz JEWNVYALXGUVQQ-UHFFFAOYSA-N 2 2 383.496 0.932 20 30 GCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433653304 1193928467 /nfs/dbraw/zinc/92/84/67/1193928467.db2.gz JEWNVYALXGUVQQ-UHFFFAOYSA-N 2 2 383.496 0.932 20 30 GCEDLP C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261970599 1193933798 /nfs/dbraw/zinc/93/37/98/1193933798.db2.gz MPCOTHGPWLMNGL-FUHWJXTLSA-N 2 2 375.521 0.506 20 30 GCEDLP C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261998608 1193935701 /nfs/dbraw/zinc/93/57/01/1193935701.db2.gz SZDLTNGWDQHXKN-NRFANRHFSA-N 2 2 387.528 0.492 20 30 GCEDLP C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019123 1195420661 /nfs/dbraw/zinc/42/06/61/1195420661.db2.gz YKQKYSCRXPTOMO-HRCADAONSA-N 2 2 382.534 0.623 20 30 GCEDLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000331219548 1195723858 /nfs/dbraw/zinc/72/38/58/1195723858.db2.gz SVUZXIKBMXXETB-IYBDPMFKSA-N 2 2 383.537 0.494 20 30 GCEDLP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000331219548 1195723860 /nfs/dbraw/zinc/72/38/60/1195723860.db2.gz SVUZXIKBMXXETB-IYBDPMFKSA-N 2 2 383.537 0.494 20 30 GCEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000528375227 1196853163 /nfs/dbraw/zinc/85/31/63/1196853163.db2.gz BGQNRKLQJAUYKP-SFHVURJKSA-N 2 2 380.492 0.998 20 30 GCEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000528375227 1196853172 /nfs/dbraw/zinc/85/31/72/1196853172.db2.gz BGQNRKLQJAUYKP-SFHVURJKSA-N 2 2 380.492 0.998 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000120304096 1196909511 /nfs/dbraw/zinc/90/95/11/1196909511.db2.gz XSKUKXCIMQNXQT-UHFFFAOYSA-N 2 2 390.528 0.305 20 30 GCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000120304096 1196909515 /nfs/dbraw/zinc/90/95/15/1196909515.db2.gz XSKUKXCIMQNXQT-UHFFFAOYSA-N 2 2 390.528 0.305 20 30 GCEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263104545 1197233431 /nfs/dbraw/zinc/23/34/31/1197233431.db2.gz OWVFVPRYBOACNT-GOSISDBHSA-N 3 2 380.581 0.432 20 30 GCEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263104545 1197233435 /nfs/dbraw/zinc/23/34/35/1197233435.db2.gz OWVFVPRYBOACNT-GOSISDBHSA-N 3 2 380.581 0.432 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672357087 1199215481 /nfs/dbraw/zinc/21/54/81/1199215481.db2.gz YBSNXFOHJQVRPY-SFHVURJKSA-N 3 2 391.560 0.428 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672357087 1199215486 /nfs/dbraw/zinc/21/54/86/1199215486.db2.gz YBSNXFOHJQVRPY-SFHVURJKSA-N 3 2 391.560 0.428 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637487 1199287346 /nfs/dbraw/zinc/28/73/46/1199287346.db2.gz IIMWRQAYQXKSIZ-NUJGCVRESA-N 2 2 378.517 0.369 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637487 1199287349 /nfs/dbraw/zinc/28/73/49/1199287349.db2.gz IIMWRQAYQXKSIZ-NUJGCVRESA-N 2 2 378.517 0.369 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)CSCC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923578097 1201151843 /nfs/dbraw/zinc/15/18/43/1201151843.db2.gz CIBRYURFUZWYSY-ROUUACIJSA-N 2 2 390.553 0.147 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)CSCC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923578097 1201151848 /nfs/dbraw/zinc/15/18/48/1201151848.db2.gz CIBRYURFUZWYSY-ROUUACIJSA-N 2 2 390.553 0.147 20 30 GCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079136914 1201246996 /nfs/dbraw/zinc/24/69/96/1201246996.db2.gz JNFLLWCZTCSRTA-CWJKEVGVSA-N 2 2 385.508 0.803 20 30 GCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079136914 1201246997 /nfs/dbraw/zinc/24/69/97/1201246997.db2.gz JNFLLWCZTCSRTA-CWJKEVGVSA-N 2 2 385.508 0.803 20 30 GCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079136914 1201247000 /nfs/dbraw/zinc/24/70/00/1201247000.db2.gz JNFLLWCZTCSRTA-CWJKEVGVSA-N 2 2 385.508 0.803 20 30 GCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079136914 1201247003 /nfs/dbraw/zinc/24/70/03/1201247003.db2.gz JNFLLWCZTCSRTA-CWJKEVGVSA-N 2 2 385.508 0.803 20 30 GCEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151240 1201392441 /nfs/dbraw/zinc/39/24/41/1201392441.db2.gz PSGSYTHOBDWQIK-FUMNGEBKSA-N 2 2 393.528 0.744 20 30 GCEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151240 1201392445 /nfs/dbraw/zinc/39/24/45/1201392445.db2.gz PSGSYTHOBDWQIK-FUMNGEBKSA-N 2 2 393.528 0.744 20 30 GCEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995158 1201531241 /nfs/dbraw/zinc/53/12/41/1201531241.db2.gz NPTTYMZHWQDTTD-ZRNYENFQSA-N 2 2 375.513 0.812 20 30 GCEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@@H]21 ZINC001084995158 1201531247 /nfs/dbraw/zinc/53/12/47/1201531247.db2.gz NPTTYMZHWQDTTD-ZRNYENFQSA-N 2 2 375.513 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402109 1202038474 /nfs/dbraw/zinc/03/84/74/1202038474.db2.gz IEPLTJJHJBEKHG-DFEOGRTESA-N 2 2 375.517 0.810 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109402109 1202038476 /nfs/dbraw/zinc/03/84/76/1202038476.db2.gz IEPLTJJHJBEKHG-DFEOGRTESA-N 2 2 375.517 0.810 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401588 1202038627 /nfs/dbraw/zinc/03/86/27/1202038627.db2.gz ADJUEYUXGOAQLT-AESZEHBQSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401588 1202038630 /nfs/dbraw/zinc/03/86/30/1202038630.db2.gz ADJUEYUXGOAQLT-AESZEHBQSA-N 2 2 377.489 0.060 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109450385 1202054597 /nfs/dbraw/zinc/05/45/97/1202054597.db2.gz PUWCSTWCNKPZKZ-VSZNYVQBSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109450385 1202054599 /nfs/dbraw/zinc/05/45/99/1202054599.db2.gz PUWCSTWCNKPZKZ-VSZNYVQBSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109450385 1202054601 /nfs/dbraw/zinc/05/46/01/1202054601.db2.gz PUWCSTWCNKPZKZ-VSZNYVQBSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109450385 1202054605 /nfs/dbraw/zinc/05/46/05/1202054605.db2.gz PUWCSTWCNKPZKZ-VSZNYVQBSA-N 2 2 375.517 0.954 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109466349 1202056794 /nfs/dbraw/zinc/05/67/94/1202056794.db2.gz WUJNYMIYIIMDDC-ILXRZTDVSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109466349 1202056796 /nfs/dbraw/zinc/05/67/96/1202056796.db2.gz WUJNYMIYIIMDDC-ILXRZTDVSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466349 1202056798 /nfs/dbraw/zinc/05/67/98/1202056798.db2.gz WUJNYMIYIIMDDC-ILXRZTDVSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109466349 1202056801 /nfs/dbraw/zinc/05/68/01/1202056801.db2.gz WUJNYMIYIIMDDC-ILXRZTDVSA-N 2 2 379.505 0.450 20 30 GCEDLP C#CCNC(=O)C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000747990204 1205697430 /nfs/dbraw/zinc/69/74/30/1205697430.db2.gz FETAAEJKNOYHJB-UHFFFAOYSA-N 2 2 389.544 0.716 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001183043466 1205885737 /nfs/dbraw/zinc/88/57/37/1205885737.db2.gz SJCPGGRMSUUBAI-PXNSSMCTSA-N 2 2 379.501 0.893 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573284965 946762292 /nfs/dbraw/zinc/76/22/92/946762292.db2.gz BGAZGVLZMNWIHA-AWEZNQCLSA-N 2 2 385.497 0.764 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573284965 946762300 /nfs/dbraw/zinc/76/23/00/946762300.db2.gz BGAZGVLZMNWIHA-AWEZNQCLSA-N 2 2 385.497 0.764 20 30 GCEDLP C=C(Br)CNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000804008184 642209468 /nfs/dbraw/zinc/20/94/68/642209468.db2.gz JVJVBLXVDUTBDQ-UHFFFAOYSA-N 2 2 387.322 0.686 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511900486 1192194658 /nfs/dbraw/zinc/19/46/58/1192194658.db2.gz HEQYPFISTDNJCU-IRXDYDNUSA-N 2 2 378.521 0.605 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511900486 1192194660 /nfs/dbraw/zinc/19/46/60/1192194660.db2.gz HEQYPFISTDNJCU-IRXDYDNUSA-N 2 2 378.521 0.605 20 30 GCEDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000728925692 1192768351 /nfs/dbraw/zinc/76/83/51/1192768351.db2.gz MIUXNHIHCDECBQ-UHFFFAOYSA-N 2 2 396.495 0.810 20 30 GCEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C)[C@H](C)C(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC000276646038 1185933477 /nfs/dbraw/zinc/93/34/77/1185933477.db2.gz TZBALHHRFYUSLU-BGYRXZFFSA-N 2 2 386.540 0.594 20 30 GCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000891608832 1185941746 /nfs/dbraw/zinc/94/17/46/1185941746.db2.gz ZISXDKHRUZSGNS-HXUWFJFHSA-N 2 2 398.507 0.714 20 30 GCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000891608832 1185941751 /nfs/dbraw/zinc/94/17/51/1185941751.db2.gz ZISXDKHRUZSGNS-HXUWFJFHSA-N 2 2 398.507 0.714 20 30 GCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1OCC ZINC001691325512 1186170991 /nfs/dbraw/zinc/17/09/91/1186170991.db2.gz QCUFKLQDYIGIHL-YSTOQKLRSA-N 2 2 393.528 0.343 20 30 GCEDLP C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122451 1187725129 /nfs/dbraw/zinc/72/51/29/1187725129.db2.gz ARICHSJIOSSWDP-WIYYLYMNSA-N 2 2 399.495 0.779 20 30 GCEDLP C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122451 1187725136 /nfs/dbraw/zinc/72/51/36/1187725136.db2.gz ARICHSJIOSSWDP-WIYYLYMNSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000414122451 1187725143 /nfs/dbraw/zinc/72/51/43/1187725143.db2.gz ARICHSJIOSSWDP-WIYYLYMNSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000414122451 1187725149 /nfs/dbraw/zinc/72/51/49/1187725149.db2.gz ARICHSJIOSSWDP-WIYYLYMNSA-N 2 2 399.495 0.779 20 30 GCEDLP C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122437 1187725604 /nfs/dbraw/zinc/72/56/04/1187725604.db2.gz ARICHSJIOSSWDP-NQIIRXRSSA-N 2 2 399.495 0.779 20 30 GCEDLP C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000414122437 1187725606 /nfs/dbraw/zinc/72/56/06/1187725606.db2.gz ARICHSJIOSSWDP-NQIIRXRSSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@@H](O)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000414122437 1187725609 /nfs/dbraw/zinc/72/56/09/1187725609.db2.gz ARICHSJIOSSWDP-NQIIRXRSSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+](CCC#N)C[C@@H](O)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000414122437 1187725611 /nfs/dbraw/zinc/72/56/11/1187725611.db2.gz ARICHSJIOSSWDP-NQIIRXRSSA-N 2 2 399.495 0.779 20 30 GCEDLP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261998612 1193935610 /nfs/dbraw/zinc/93/56/10/1193935610.db2.gz SZDLTNGWDQHXKN-OAQYLSRUSA-N 2 2 387.528 0.492 20 30 GCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273474390 1194566383 /nfs/dbraw/zinc/56/63/83/1194566383.db2.gz JZCILFDMNGIZTD-AWEZNQCLSA-N 2 2 383.474 0.757 20 30 GCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273474390 1194566385 /nfs/dbraw/zinc/56/63/85/1194566385.db2.gz JZCILFDMNGIZTD-AWEZNQCLSA-N 2 2 383.474 0.757 20 30 GCEDLP C[NH+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000262083919 1195650863 /nfs/dbraw/zinc/65/08/63/1195650863.db2.gz FQXKKUTWJUMSNH-UHFFFAOYSA-N 2 2 380.518 0.205 20 30 GCEDLP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000444391716 1196453847 /nfs/dbraw/zinc/45/38/47/1196453847.db2.gz LCNOHLQKCMEPKG-UHFFFAOYSA-N 2 2 377.493 0.915 20 30 GCEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000528433084 1196858987 /nfs/dbraw/zinc/85/89/87/1196858987.db2.gz XKCOEMBIHOJAQE-UHFFFAOYSA-N 2 2 397.475 0.445 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000127449664 1197183627 /nfs/dbraw/zinc/18/36/27/1197183627.db2.gz XYMAXDGZTYNRPW-QGZVFWFLSA-N 2 2 378.517 0.999 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000127449664 1197183631 /nfs/dbraw/zinc/18/36/31/1197183631.db2.gz XYMAXDGZTYNRPW-QGZVFWFLSA-N 2 2 378.517 0.999 20 30 GCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129272125 1200598652 /nfs/dbraw/zinc/59/86/52/1200598652.db2.gz YHQMLRHXAIELQE-KONPQCLYSA-N 2 2 385.472 0.359 20 30 GCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001129272125 1200598661 /nfs/dbraw/zinc/59/86/61/1200598661.db2.gz YHQMLRHXAIELQE-KONPQCLYSA-N 2 2 385.472 0.359 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923593740 1201354789 /nfs/dbraw/zinc/35/47/89/1201354789.db2.gz CNLYFJWOSBNDDM-VNTMZGSJSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923593740 1201354793 /nfs/dbraw/zinc/35/47/93/1201354793.db2.gz CNLYFJWOSBNDDM-VNTMZGSJSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923593738 1201355041 /nfs/dbraw/zinc/35/50/41/1201355041.db2.gz CNLYFJWOSBNDDM-JVSBHGNQSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923593738 1201355045 /nfs/dbraw/zinc/35/50/45/1201355045.db2.gz CNLYFJWOSBNDDM-JVSBHGNQSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923593738 1201355050 /nfs/dbraw/zinc/35/50/50/1201355050.db2.gz CNLYFJWOSBNDDM-JVSBHGNQSA-N 2 2 384.524 0.440 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923593738 1201355053 /nfs/dbraw/zinc/35/50/53/1201355053.db2.gz CNLYFJWOSBNDDM-JVSBHGNQSA-N 2 2 384.524 0.440 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109718382 1202109614 /nfs/dbraw/zinc/10/96/14/1202109614.db2.gz FRHCUINJJHPJET-BDXSIMOUSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109718382 1202109615 /nfs/dbraw/zinc/10/96/15/1202109615.db2.gz FRHCUINJJHPJET-BDXSIMOUSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109718382 1202109616 /nfs/dbraw/zinc/10/96/16/1202109616.db2.gz FRHCUINJJHPJET-BDXSIMOUSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109718382 1202109618 /nfs/dbraw/zinc/10/96/18/1202109618.db2.gz FRHCUINJJHPJET-BDXSIMOUSA-N 2 2 375.517 0.954 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001109719384 1202111547 /nfs/dbraw/zinc/11/15/47/1202111547.db2.gz HEFFEZGNZKBQLB-NARAOEGZSA-N 2 2 378.492 0.670 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001109719384 1202111548 /nfs/dbraw/zinc/11/15/48/1202111548.db2.gz HEFFEZGNZKBQLB-NARAOEGZSA-N 2 2 378.492 0.670 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109719384 1202111549 /nfs/dbraw/zinc/11/15/49/1202111549.db2.gz HEFFEZGNZKBQLB-NARAOEGZSA-N 2 2 378.492 0.670 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109719384 1202111550 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/nfs/dbraw/zinc/71/56/94/1205715694.db2.gz XCHUWSKMDWFMQM-CCKFTAQKSA-N 2 2 394.479 0.905 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001183043468 1205885749 /nfs/dbraw/zinc/88/57/49/1205885749.db2.gz SJCPGGRMSUUBAI-XLIONFOSSA-N 2 2 379.501 0.893 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573285981 946792306 /nfs/dbraw/zinc/79/23/06/946792306.db2.gz QPNSGIKKPORNNG-KVULBXGLSA-N 2 2 380.456 0.088 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573285981 946792310 /nfs/dbraw/zinc/79/23/10/946792310.db2.gz QPNSGIKKPORNNG-KVULBXGLSA-N 2 2 380.456 0.088 20 30 GCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)C(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC000276646042 1185933549 /nfs/dbraw/zinc/93/35/49/1185933549.db2.gz TZBALHHRFYUSLU-PMACEKPBSA-N 2 2 386.540 0.594 20 30 GCEDLP C#CCC[NH+]1CCN(C(=O)CC(C)CC(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC000277685733 1186562919 /nfs/dbraw/zinc/56/29/19/1186562919.db2.gz GDOGIQFCHAEJNB-UHFFFAOYSA-N 2 2 386.540 0.738 20 30 GCEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001104439937 1186769766 /nfs/dbraw/zinc/76/97/66/1186769766.db2.gz ZEVHILXKEQUWQQ-WTGUMLROSA-N 2 2 377.529 0.964 20 30 GCEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423310 1189502191 /nfs/dbraw/zinc/50/21/91/1189502191.db2.gz BKHZWFSAYAJIOO-KRWDZBQOSA-N 2 2 378.517 0.877 20 30 GCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000263075761 1193961713 /nfs/dbraw/zinc/96/17/13/1193961713.db2.gz CKEXFKUOKSJNCC-IYBDPMFKSA-N 2 2 375.521 0.801 20 30 GCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000263075761 1193961715 /nfs/dbraw/zinc/96/17/15/1193961715.db2.gz CKEXFKUOKSJNCC-IYBDPMFKSA-N 2 2 375.521 0.801 20 30 GCEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(c2ncccn2)CC1 ZINC000263074384 1193961785 /nfs/dbraw/zinc/96/17/85/1193961785.db2.gz CFSLSGJKEDHWDJ-IBGZPJMESA-N 2 2 395.511 0.814 20 30 GCEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(c2ncccn2)CC1 ZINC000263074384 1193961787 /nfs/dbraw/zinc/96/17/87/1193961787.db2.gz CFSLSGJKEDHWDJ-IBGZPJMESA-N 2 2 395.511 0.814 20 30 GCEDLP CC1(C)CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423031418 1194719813 /nfs/dbraw/zinc/71/98/13/1194719813.db2.gz DGOOEGJTGOLGQN-UHFFFAOYSA-N 2 2 383.496 0.803 20 30 GCEDLP CC1(C)CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423031418 1194719815 /nfs/dbraw/zinc/71/98/15/1194719815.db2.gz DGOOEGJTGOLGQN-UHFFFAOYSA-N 2 2 383.496 0.803 20 30 GCEDLP Cn1c[nH+]c([C@@H]2CN(C(=O)CCS)C[C@H]2C(=O)NC2CC[NH+](C)CC2)c1 ZINC001269879296 1194876566 /nfs/dbraw/zinc/87/65/66/1194876566.db2.gz NKBALYHRQNTBLK-HUUCEWRRSA-N 2 2 379.530 0.492 20 30 GCEDLP C[C@H]1CCCN(C(=[NH2+])NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000261965113 1195274219 /nfs/dbraw/zinc/27/42/19/1195274219.db2.gz ATIQJASSAOYRRS-INIZCTEOSA-N 2 2 394.545 0.580 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000550381035 1195648798 /nfs/dbraw/zinc/64/87/98/1195648798.db2.gz FNHMEGQDUDFFKD-SFHVURJKSA-N 2 2 379.549 0.141 20 30 GCEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328813203 1195666071 /nfs/dbraw/zinc/66/60/71/1195666071.db2.gz FUZIECJTHWECSF-NVXWUHKLSA-N 2 2 388.516 0.884 20 30 GCEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328813203 1195666076 /nfs/dbraw/zinc/66/60/76/1195666076.db2.gz FUZIECJTHWECSF-NVXWUHKLSA-N 2 2 388.516 0.884 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000672356295 1199215729 /nfs/dbraw/zinc/21/57/29/1199215729.db2.gz DDPQHUNAQPKFJS-SFHVURJKSA-N 2 2 378.517 0.466 20 30 GCEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151402 1201393212 /nfs/dbraw/zinc/39/32/12/1201393212.db2.gz XDDVUHSYCWOXBV-YDZRNGNQSA-N 2 2 379.501 0.354 20 30 GCEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@H]2C1 ZINC001083151402 1201393217 /nfs/dbraw/zinc/39/32/17/1201393217.db2.gz XDDVUHSYCWOXBV-YDZRNGNQSA-N 2 2 379.501 0.354 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000767864524 1201990381 /nfs/dbraw/zinc/99/03/81/1201990381.db2.gz DIXSHAFTSBODFT-GOSISDBHSA-N 2 2 383.558 0.689 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686634 1202104429 /nfs/dbraw/zinc/10/44/29/1202104429.db2.gz APHMSMIHMQWSPM-WBTNSWJXSA-N 2 2 379.505 0.306 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109686634 1202104430 /nfs/dbraw/zinc/10/44/30/1202104430.db2.gz APHMSMIHMQWSPM-WBTNSWJXSA-N 2 2 379.505 0.306 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001109719385 1202111288 /nfs/dbraw/zinc/11/12/88/1202111288.db2.gz HEFFEZGNZKBQLB-OLPIVMHESA-N 2 2 378.492 0.670 20 30 GCEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001109719385 1202111290 /nfs/dbraw/zinc/11/12/90/1202111290.db2.gz HEFFEZGNZKBQLB-OLPIVMHESA-N 2 2 378.492 0.670 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109719385 1202111293 /nfs/dbraw/zinc/11/12/93/1202111293.db2.gz HEFFEZGNZKBQLB-OLPIVMHESA-N 2 2 378.492 0.670 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001109719385 1202111295 /nfs/dbraw/zinc/11/12/95/1202111295.db2.gz HEFFEZGNZKBQLB-OLPIVMHESA-N 2 2 378.492 0.670 20 30 GCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109888705 1202143855 /nfs/dbraw/zinc/14/38/55/1202143855.db2.gz TURBJNABJXOZQJ-SQNIBIBYSA-N 2 2 380.452 0.905 20 30 GCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109888705 1202143856 /nfs/dbraw/zinc/14/38/56/1202143856.db2.gz TURBJNABJXOZQJ-SQNIBIBYSA-N 2 2 380.452 0.905 20 30 GCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C#Cc3ccccn3)CC2)C1=O ZINC001177800704 1205777189 /nfs/dbraw/zinc/77/71/89/1205777189.db2.gz GAJHMFVKXICJLS-UHFFFAOYSA-N 2 2 383.496 0.130 20 30 GCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C#Cc3ccccn3)CC2)C1=O ZINC001177800704 1205777191 /nfs/dbraw/zinc/77/71/91/1205777191.db2.gz GAJHMFVKXICJLS-UHFFFAOYSA-N 2 2 383.496 0.130 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573284921 946762908 /nfs/dbraw/zinc/76/29/08/946762908.db2.gz AMEQEHSILVXBLR-GUYCJALGSA-N 2 2 385.447 0.698 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573284921 946762917 /nfs/dbraw/zinc/76/29/17/946762917.db2.gz AMEQEHSILVXBLR-GUYCJALGSA-N 2 2 385.447 0.698 20 30 GCEDLP COCCN(CCC#N)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000409567243 530230130 /nfs/dbraw/zinc/23/01/30/530230130.db2.gz LBTXUISDRKWLNV-UHFFFAOYSA-N 2 2 375.539 0.051 20 30 GCEDLP COCCN(CCC#N)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409567243 530230133 /nfs/dbraw/zinc/23/01/33/530230133.db2.gz LBTXUISDRKWLNV-UHFFFAOYSA-N 2 2 375.539 0.051 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511900485 1192194764 /nfs/dbraw/zinc/19/47/64/1192194764.db2.gz HEQYPFISTDNJCU-IAGOWNOFSA-N 2 2 378.521 0.605 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511900485 1192194766 /nfs/dbraw/zinc/19/47/66/1192194766.db2.gz HEQYPFISTDNJCU-IAGOWNOFSA-N 2 2 378.521 0.605 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000430390013 1184639856 /nfs/dbraw/zinc/63/98/56/1184639856.db2.gz CNVHZLWYLUGCJD-AEFFLSMTSA-N 2 2 380.533 0.568 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430390013 1184639867 /nfs/dbraw/zinc/63/98/67/1184639867.db2.gz CNVHZLWYLUGCJD-AEFFLSMTSA-N 2 2 380.533 0.568 20 30 GCEDLP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277091409 1186240804 /nfs/dbraw/zinc/24/08/04/1186240804.db2.gz KPMUNRLOJKVRDB-UHFFFAOYSA-N 2 2 379.530 0.945 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568423 1187738445 /nfs/dbraw/zinc/73/84/45/1187738445.db2.gz DWKZNMSZESGICG-UHFFFAOYSA-N 2 2 379.505 0.264 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000378436597 1189506747 /nfs/dbraw/zinc/50/67/47/1189506747.db2.gz QJSCITBMBVAMBC-YSTOQKLRSA-N 2 2 391.560 0.862 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000378436597 1189506751 /nfs/dbraw/zinc/50/67/51/1189506751.db2.gz QJSCITBMBVAMBC-YSTOQKLRSA-N 2 2 391.560 0.862 20 30 GCEDLP CCc1nsc(N2CCN(C(NCc3c[nH+]c(N(C)C)n3C)=[NH+]C)CC2)n1 ZINC000261796991 1193926673 /nfs/dbraw/zinc/92/66/73/1193926673.db2.gz RARVWLHIMWYHHD-UHFFFAOYSA-N 2 2 391.549 0.798 20 30 GCEDLP C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261990792 1193935066 /nfs/dbraw/zinc/93/50/66/1193935066.db2.gz RFOIXVSEJKCZCU-UHFFFAOYSA-N 2 2 375.473 0.587 20 30 GCEDLP CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262012713 1193936002 /nfs/dbraw/zinc/93/60/02/1193936002.db2.gz XASCCRRFXOMQBF-MJGOQNOKSA-N 2 2 389.548 0.896 20 30 GCEDLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423041138 1194721230 /nfs/dbraw/zinc/72/12/30/1194721230.db2.gz WEWZLGPDMJWOMQ-IAGOWNOFSA-N 2 2 383.496 0.801 20 30 GCEDLP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000423041138 1194721234 /nfs/dbraw/zinc/72/12/34/1194721234.db2.gz WEWZLGPDMJWOMQ-IAGOWNOFSA-N 2 2 383.496 0.801 20 30 GCEDLP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261951103 1195213832 /nfs/dbraw/zinc/21/38/32/1195213832.db2.gz HKXPSORDAQCKNG-ARFHVFGLSA-N 2 2 382.534 0.765 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)CC2)o1 ZINC000520423752 1195632516 /nfs/dbraw/zinc/63/25/16/1195632516.db2.gz JSNPKQQMUGZXPZ-OAHLLOKOSA-N 2 2 383.456 0.726 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)CC2)o1 ZINC000520423752 1195632518 /nfs/dbraw/zinc/63/25/18/1195632518.db2.gz JSNPKQQMUGZXPZ-OAHLLOKOSA-N 2 2 383.456 0.726 20 30 GCEDLP CC[NH+]1CCN(CC(C)(C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000451987390 1197029323 /nfs/dbraw/zinc/02/93/23/1197029323.db2.gz OKMFSLLNFHRNSM-UHFFFAOYSA-N 2 2 379.530 0.733 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672354890 1199216539 /nfs/dbraw/zinc/21/65/39/1199216539.db2.gz JHEWMLZWPQPYIJ-IBGZPJMESA-N 3 2 391.560 0.380 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672354890 1199216546 /nfs/dbraw/zinc/21/65/46/1199216546.db2.gz JHEWMLZWPQPYIJ-IBGZPJMESA-N 3 2 391.560 0.380 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563672 1201134999 /nfs/dbraw/zinc/13/49/99/1201134999.db2.gz JMBJLCZTPNCZRQ-ZRNYENFQSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563672 1201135002 /nfs/dbraw/zinc/13/50/02/1201135002.db2.gz JMBJLCZTPNCZRQ-ZRNYENFQSA-N 2 2 386.540 0.686 20 30 GCEDLP CN(C(=O)C1(C#N)CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041431 1201918643 /nfs/dbraw/zinc/91/86/43/1201918643.db2.gz IQXZGPRZHAYKIW-UHFFFAOYSA-N 2 2 375.517 0.767 20 30 GCEDLP CCOC(=O)C(C)N=Nc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001169076122 1201932101 /nfs/dbraw/zinc/93/21/01/1201932101.db2.gz OCYCSANYMDNJHU-WXYNYTDUSA-N 2 2 390.400 0.994 20 30 GCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001109544844 1202077895 /nfs/dbraw/zinc/07/78/95/1202077895.db2.gz PFFUFQCFUCHUQV-SLHNCBLASA-N 2 2 393.528 0.790 20 30 GCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]3CCOCC3)O1)C2 ZINC001109544844 1202077897 /nfs/dbraw/zinc/07/78/97/1202077897.db2.gz PFFUFQCFUCHUQV-SLHNCBLASA-N 2 2 393.528 0.790 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671378 1202102968 /nfs/dbraw/zinc/10/29/68/1202102968.db2.gz FMOBVWIGGYXMDV-SQNIBIBYSA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671378 1202102969 /nfs/dbraw/zinc/10/29/69/1202102969.db2.gz FMOBVWIGGYXMDV-SQNIBIBYSA-N 2 2 375.517 0.812 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975765 1202164659 /nfs/dbraw/zinc/16/46/59/1202164659.db2.gz CPWHNFZQRPNLAY-FZKCQIBNSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975765 1202164662 /nfs/dbraw/zinc/16/46/62/1202164662.db2.gz CPWHNFZQRPNLAY-FZKCQIBNSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975765 1202164671 /nfs/dbraw/zinc/16/46/71/1202164671.db2.gz CPWHNFZQRPNLAY-FZKCQIBNSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975765 1202164673 /nfs/dbraw/zinc/16/46/73/1202164673.db2.gz CPWHNFZQRPNLAY-FZKCQIBNSA-N 2 2 377.489 0.062 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977689 1202165420 /nfs/dbraw/zinc/16/54/20/1202165420.db2.gz VKZODQMTGVVCHZ-IKGGRYGDSA-N 2 2 379.505 0.048 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977689 1202165421 /nfs/dbraw/zinc/16/54/21/1202165421.db2.gz VKZODQMTGVVCHZ-IKGGRYGDSA-N 2 2 379.505 0.048 20 30 GCEDLP C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000747818021 1205668379 /nfs/dbraw/zinc/66/83/79/1205668379.db2.gz DUINDKRJLBLBRV-QGZVFWFLSA-N 2 2 383.496 0.580 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001177565021 1205771732 /nfs/dbraw/zinc/77/17/32/1205771732.db2.gz BWNMWTRIDLIPIL-NRFANRHFSA-N 2 2 396.535 0.833 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323613 1205979375 /nfs/dbraw/zinc/97/93/75/1205979375.db2.gz WUJUFHMEOSUPHG-XMTFNYHQSA-N 2 2 391.516 0.000 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323613 1205979376 /nfs/dbraw/zinc/97/93/76/1205979376.db2.gz WUJUFHMEOSUPHG-XMTFNYHQSA-N 2 2 391.516 0.000 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323613 1205979379 /nfs/dbraw/zinc/97/93/79/1205979379.db2.gz WUJUFHMEOSUPHG-XMTFNYHQSA-N 2 2 391.516 0.000 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323613 1205979381 /nfs/dbraw/zinc/97/93/81/1205979381.db2.gz WUJUFHMEOSUPHG-XMTFNYHQSA-N 2 2 391.516 0.000 20 30 GCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(C#N)cn3)CC2)C1=O ZINC001190589775 1206039511 /nfs/dbraw/zinc/03/95/11/1206039511.db2.gz JGLNBGJUGQRWSZ-UHFFFAOYSA-N 2 2 384.484 0.264 20 30 GCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(C#N)cn3)CC2)C1=O ZINC001190589775 1206039514 /nfs/dbraw/zinc/03/95/14/1206039514.db2.gz JGLNBGJUGQRWSZ-UHFFFAOYSA-N 2 2 384.484 0.264 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)CC2)o1 ZINC000150761204 1192188385 /nfs/dbraw/zinc/18/83/85/1192188385.db2.gz CYQKVGLZVYPWTD-QGZVFWFLSA-N 2 2 386.500 0.921 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)CC2)o1 ZINC000150761204 1192188387 /nfs/dbraw/zinc/18/83/87/1192188387.db2.gz CYQKVGLZVYPWTD-QGZVFWFLSA-N 2 2 386.500 0.921 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644844215 1192345012 /nfs/dbraw/zinc/34/50/12/1192345012.db2.gz NLNHSNXJROFOEU-QRQLOZEOSA-N 2 2 392.544 0.711 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644844215 1192345015 /nfs/dbraw/zinc/34/50/15/1192345015.db2.gz NLNHSNXJROFOEU-QRQLOZEOSA-N 2 2 392.544 0.711 20 30 GCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000891605522 1185939193 /nfs/dbraw/zinc/93/91/93/1185939193.db2.gz GOYRYIWXAVZOTE-IBGZPJMESA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000891605522 1185939196 /nfs/dbraw/zinc/93/91/96/1185939196.db2.gz GOYRYIWXAVZOTE-IBGZPJMESA-N 2 2 397.523 0.981 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000378436598 1189507220 /nfs/dbraw/zinc/50/72/20/1189507220.db2.gz QJSCITBMBVAMBC-ZGXWSNOMSA-N 2 2 391.560 0.862 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000378436598 1189507222 /nfs/dbraw/zinc/50/72/22/1189507222.db2.gz QJSCITBMBVAMBC-ZGXWSNOMSA-N 2 2 391.560 0.862 20 30 GCEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000424171941 1194804672 /nfs/dbraw/zinc/80/46/72/1194804672.db2.gz KASNZCMNHLMJAL-HZPDHXFCSA-N 2 2 387.488 0.419 20 30 GCEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000424171941 1194804674 /nfs/dbraw/zinc/80/46/74/1194804674.db2.gz KASNZCMNHLMJAL-HZPDHXFCSA-N 2 2 387.488 0.419 20 30 GCEDLP C[C@@H]1CCCN(C(=[NH2+])NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000261965114 1195274182 /nfs/dbraw/zinc/27/41/82/1195274182.db2.gz ATIQJASSAOYRRS-MRXNPFEDSA-N 2 2 394.545 0.580 20 30 GCEDLP C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000895915862 1196117946 /nfs/dbraw/zinc/11/79/46/1196117946.db2.gz NDIBXMWJSXGIBG-UHFFFAOYSA-N 2 2 380.514 0.212 20 30 GCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(CS(C)(=O)=O)CC3)CC2)CC1 ZINC000330055489 1196249120 /nfs/dbraw/zinc/24/91/20/1196249120.db2.gz UMRWBUKKJWHCRY-UHFFFAOYSA-N 2 2 386.562 0.873 20 30 GCEDLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000330215210 1196259944 /nfs/dbraw/zinc/25/99/44/1196259944.db2.gz GWMQUJVHZOSWLV-AQNXPRMDSA-N 2 2 393.576 0.990 20 30 GCEDLP CC1CC(C#N)(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000532067376 1197109816 /nfs/dbraw/zinc/10/98/16/1197109816.db2.gz IYNVOPKFNQNFAB-UHFFFAOYSA-N 2 2 375.517 0.623 20 30 GCEDLP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262806384 1197167732 /nfs/dbraw/zinc/16/77/32/1197167732.db2.gz WZDNDAVJXQKOGA-SFHVURJKSA-N 3 2 378.565 0.186 20 30 GCEDLP CC[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261977196 1197521593 /nfs/dbraw/zinc/52/15/93/1197521593.db2.gz NXBKHZYAMNKQGV-HOTGVXAUSA-N 2 2 382.534 0.767 20 30 GCEDLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCCCC1 ZINC000262554636 1197534200 /nfs/dbraw/zinc/53/42/00/1197534200.db2.gz UOWNZRLAZLBZPJ-UHFFFAOYSA-N 2 2 394.545 0.724 20 30 GCEDLP CN(C(=O)Cc1ccc(C#N)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329139255 1199835298 /nfs/dbraw/zinc/83/52/98/1199835298.db2.gz FEXUFWHFGBNZHR-UHFFFAOYSA-N 2 2 397.523 0.798 20 30 GCEDLP CN(C(=O)c1ccnc(C#N)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329991781 1199851991 /nfs/dbraw/zinc/85/19/91/1199851991.db2.gz AGKPLHWGESXECY-UHFFFAOYSA-N 2 2 384.484 0.264 20 30 GCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000171118391 1200187558 /nfs/dbraw/zinc/18/75/58/1200187558.db2.gz UYAKJXYLYAPPQC-UHFFFAOYSA-N 2 2 383.496 0.963 20 30 GCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000923365215 1200965735 /nfs/dbraw/zinc/96/57/35/1200965735.db2.gz CVXHWALRGSTRDE-KRWDZBQOSA-N 2 2 382.468 0.872 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H](C)CC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923560780 1201122305 /nfs/dbraw/zinc/12/23/05/1201122305.db2.gz IDINBMAIQPMJOU-ACDBMABISA-N 2 2 386.540 0.830 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H](C)CC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923560780 1201122309 /nfs/dbraw/zinc/12/23/09/1201122309.db2.gz IDINBMAIQPMJOU-ACDBMABISA-N 2 2 386.540 0.830 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H](C)CC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923560780 1201122311 /nfs/dbraw/zinc/12/23/11/1201122311.db2.gz IDINBMAIQPMJOU-ACDBMABISA-N 2 2 386.540 0.830 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H](C)CC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923560780 1201122315 /nfs/dbraw/zinc/12/23/15/1201122315.db2.gz IDINBMAIQPMJOU-ACDBMABISA-N 2 2 386.540 0.830 20 30 GCEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000556344827 1201137174 /nfs/dbraw/zinc/13/71/74/1201137174.db2.gz WYKKWENHOQFUKE-OAHLLOKOSA-N 2 2 396.499 0.860 20 30 GCEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000556344827 1201137177 /nfs/dbraw/zinc/13/71/77/1201137177.db2.gz WYKKWENHOQFUKE-OAHLLOKOSA-N 2 2 396.499 0.860 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000733148998 1201577733 /nfs/dbraw/zinc/57/77/33/1201577733.db2.gz SYDQYTBPUZKTSF-FQEVSTJZSA-N 2 2 397.523 0.577 20 30 GCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000733148998 1201577736 /nfs/dbraw/zinc/57/77/36/1201577736.db2.gz SYDQYTBPUZKTSF-FQEVSTJZSA-N 2 2 397.523 0.577 20 30 GCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000733148998 1201577739 /nfs/dbraw/zinc/57/77/39/1201577739.db2.gz SYDQYTBPUZKTSF-FQEVSTJZSA-N 2 2 397.523 0.577 20 30 GCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000733148998 1201577741 /nfs/dbraw/zinc/57/77/41/1201577741.db2.gz SYDQYTBPUZKTSF-FQEVSTJZSA-N 2 2 397.523 0.577 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109305062 1202018947 /nfs/dbraw/zinc/01/89/47/1202018947.db2.gz CCWCMBOOOSYWEJ-SUJAAXHWSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCNC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109305062 1202018948 /nfs/dbraw/zinc/01/89/48/1202018948.db2.gz CCWCMBOOOSYWEJ-SUJAAXHWSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305062 1202018950 /nfs/dbraw/zinc/01/89/50/1202018950.db2.gz CCWCMBOOOSYWEJ-SUJAAXHWSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109305062 1202018952 /nfs/dbraw/zinc/01/89/52/1202018952.db2.gz CCWCMBOOOSYWEJ-SUJAAXHWSA-N 2 2 377.489 0.060 20 30 GCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449532 1202052290 /nfs/dbraw/zinc/05/22/90/1202052290.db2.gz ZGQCBAKTEGQFPA-IKGGRYGDSA-N 2 2 378.517 0.369 20 30 GCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449532 1202052291 /nfs/dbraw/zinc/05/22/91/1202052291.db2.gz ZGQCBAKTEGQFPA-IKGGRYGDSA-N 2 2 378.517 0.369 20 30 GCEDLP C[N@@H+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001109740486 1202115788 /nfs/dbraw/zinc/11/57/88/1202115788.db2.gz SXNISTMRTNVDJU-SLHNCBLASA-N 2 2 395.507 0.693 20 30 GCEDLP C[N@H+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001109740486 1202115789 /nfs/dbraw/zinc/11/57/89/1202115789.db2.gz SXNISTMRTNVDJU-SLHNCBLASA-N 2 2 395.507 0.693 20 30 GCEDLP C[NH+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001109740486 1202115790 /nfs/dbraw/zinc/11/57/90/1202115790.db2.gz SXNISTMRTNVDJU-SLHNCBLASA-N 2 2 395.507 0.693 20 30 GCEDLP C[NH+]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001109740486 1202115792 /nfs/dbraw/zinc/11/57/92/1202115792.db2.gz SXNISTMRTNVDJU-SLHNCBLASA-N 2 2 395.507 0.693 20 30 GCEDLP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109848003 1202134857 /nfs/dbraw/zinc/13/48/57/1202134857.db2.gz QYTLSBPNAAPUPO-OWSLCNJRSA-N 2 2 376.501 0.217 20 30 GCEDLP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)C1=O ZINC001109848003 1202134860 /nfs/dbraw/zinc/13/48/60/1202134860.db2.gz QYTLSBPNAAPUPO-OWSLCNJRSA-N 2 2 376.501 0.217 20 30 GCEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001183841871 1205901272 /nfs/dbraw/zinc/90/12/72/1205901272.db2.gz PWLSYLJMRNHYPY-QGZVFWFLSA-N 2 2 389.460 0.577 20 30 GCEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001183841871 1205901274 /nfs/dbraw/zinc/90/12/74/1205901274.db2.gz PWLSYLJMRNHYPY-QGZVFWFLSA-N 2 2 389.460 0.577 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000430390016 1184639653 /nfs/dbraw/zinc/63/96/53/1184639653.db2.gz CNVHZLWYLUGCJD-WMZOPIPTSA-N 2 2 380.533 0.568 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430390016 1184639659 /nfs/dbraw/zinc/63/96/59/1184639659.db2.gz CNVHZLWYLUGCJD-WMZOPIPTSA-N 2 2 380.533 0.568 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000891606543 1185939946 /nfs/dbraw/zinc/93/99/46/1185939946.db2.gz GQUBWWDWSFAPOZ-LJQANCHMSA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)C1 ZINC000891606543 1185939950 /nfs/dbraw/zinc/93/99/50/1185939950.db2.gz GQUBWWDWSFAPOZ-LJQANCHMSA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000891606543 1185939954 /nfs/dbraw/zinc/93/99/54/1185939954.db2.gz GQUBWWDWSFAPOZ-LJQANCHMSA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)C1 ZINC000891606543 1185939956 /nfs/dbraw/zinc/93/99/56/1185939956.db2.gz GQUBWWDWSFAPOZ-LJQANCHMSA-N 2 2 397.523 0.981 20 30 GCEDLP CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[N@H+](C)C1 ZINC000328924081 1186022107 /nfs/dbraw/zinc/02/21/07/1186022107.db2.gz DHUSHDCCZFWSDE-HOTGVXAUSA-N 2 2 375.473 0.796 20 30 GCEDLP CO[C@H]1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[N@@H+](C)C1 ZINC000328924081 1186022110 /nfs/dbraw/zinc/02/21/10/1186022110.db2.gz DHUSHDCCZFWSDE-HOTGVXAUSA-N 2 2 375.473 0.796 20 30 GCEDLP CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611581354 1186452784 /nfs/dbraw/zinc/45/27/84/1186452784.db2.gz COUWUBDAUYBTFJ-AWEZNQCLSA-N 2 2 388.520 0.606 20 30 GCEDLP CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611581354 1186452788 /nfs/dbraw/zinc/45/27/88/1186452788.db2.gz COUWUBDAUYBTFJ-AWEZNQCLSA-N 2 2 388.520 0.606 20 30 GCEDLP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261982655 1193934752 /nfs/dbraw/zinc/93/47/52/1193934752.db2.gz PHFAXVUIDRAVED-UHFFFAOYSA-N 2 2 377.518 0.567 20 30 GCEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000424171928 1194804710 /nfs/dbraw/zinc/80/47/10/1194804710.db2.gz KASNZCMNHLMJAL-CVEARBPZSA-N 2 2 387.488 0.419 20 30 GCEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000424171928 1194804711 /nfs/dbraw/zinc/80/47/11/1194804711.db2.gz KASNZCMNHLMJAL-CVEARBPZSA-N 2 2 387.488 0.419 20 30 GCEDLP CC(=O)N[C@@H](CS)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270178839 1195076663 /nfs/dbraw/zinc/07/66/63/1195076663.db2.gz AQRDCZDICKLLBP-JQHSSLGASA-N 2 2 379.530 0.869 20 30 GCEDLP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262806383 1197167802 /nfs/dbraw/zinc/16/78/02/1197167802.db2.gz WZDNDAVJXQKOGA-GOSISDBHSA-N 3 2 378.565 0.186 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000127449886 1197184520 /nfs/dbraw/zinc/18/45/20/1197184520.db2.gz XYMAXDGZTYNRPW-KRWDZBQOSA-N 2 2 378.517 0.999 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000127449886 1197184523 /nfs/dbraw/zinc/18/45/23/1197184523.db2.gz XYMAXDGZTYNRPW-KRWDZBQOSA-N 2 2 378.517 0.999 20 30 GCEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000263261367 1197256916 /nfs/dbraw/zinc/25/69/16/1197256916.db2.gz SPOGVZJWSMYVCJ-UHFFFAOYSA-N 2 2 387.532 0.948 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672637488 1199287447 /nfs/dbraw/zinc/28/74/47/1199287447.db2.gz IIMWRQAYQXKSIZ-RYRKJORJSA-N 2 2 378.517 0.369 20 30 GCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672637488 1199287450 /nfs/dbraw/zinc/28/74/50/1199287450.db2.gz IIMWRQAYQXKSIZ-RYRKJORJSA-N 2 2 378.517 0.369 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000246602873 1200413222 /nfs/dbraw/zinc/41/32/22/1200413222.db2.gz DEEGYSGGQKVPFX-WMZOPIPTSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)o1 ZINC000246602873 1200413228 /nfs/dbraw/zinc/41/32/28/1200413228.db2.gz DEEGYSGGQKVPFX-WMZOPIPTSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)CC2)o1 ZINC000246602873 1200413232 /nfs/dbraw/zinc/41/32/32/1200413232.db2.gz DEEGYSGGQKVPFX-WMZOPIPTSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)CC2)o1 ZINC000246602873 1200413239 /nfs/dbraw/zinc/41/32/39/1200413239.db2.gz DEEGYSGGQKVPFX-WMZOPIPTSA-N 2 2 386.500 0.919 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C2(C(=O)N[C@H]3CCC[N@H+](CC#C)C3)CCC2)C1 ZINC000923567462 1201130301 /nfs/dbraw/zinc/13/03/01/1201130301.db2.gz AOCJXJGEKQWTHW-KDURUIRLSA-N 2 2 384.524 0.584 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C2(C(=O)N[C@H]3CCC[N@@H+](CC#C)C3)CCC2)C1 ZINC000923567462 1201130303 /nfs/dbraw/zinc/13/03/03/1201130303.db2.gz AOCJXJGEKQWTHW-KDURUIRLSA-N 2 2 384.524 0.584 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C2(C(=O)N[C@@H]3CCC[N@H+](CC#C)C3)CCC2)C1 ZINC000923567462 1201130309 /nfs/dbraw/zinc/13/03/09/1201130309.db2.gz AOCJXJGEKQWTHW-KDURUIRLSA-N 2 2 384.524 0.584 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C2(C(=O)N[C@@H]3CCC[N@@H+](CC#C)C3)CCC2)C1 ZINC000923567462 1201130314 /nfs/dbraw/zinc/13/03/14/1201130314.db2.gz AOCJXJGEKQWTHW-KDURUIRLSA-N 2 2 384.524 0.584 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402491 1202039215 /nfs/dbraw/zinc/03/92/15/1202039215.db2.gz RTEJXBBTSMODRV-IKGGRYGDSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109402491 1202039216 /nfs/dbraw/zinc/03/92/16/1202039216.db2.gz RTEJXBBTSMODRV-IKGGRYGDSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406111 1202039451 /nfs/dbraw/zinc/03/94/51/1202039451.db2.gz ODXWXHNRQRCREB-SQNIBIBYSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109406111 1202039452 /nfs/dbraw/zinc/03/94/52/1202039452.db2.gz ODXWXHNRQRCREB-SQNIBIBYSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109406111 1202039455 /nfs/dbraw/zinc/03/94/55/1202039455.db2.gz ODXWXHNRQRCREB-SQNIBIBYSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109406111 1202039457 /nfs/dbraw/zinc/03/94/57/1202039457.db2.gz ODXWXHNRQRCREB-SQNIBIBYSA-N 2 2 375.517 0.954 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001109553551 1202079752 /nfs/dbraw/zinc/07/97/52/1202079752.db2.gz JWUVPQVIMUSOBN-HOJAQTOUSA-N 2 2 382.508 0.875 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001109553551 1202079757 /nfs/dbraw/zinc/07/97/57/1202079757.db2.gz JWUVPQVIMUSOBN-HOJAQTOUSA-N 2 2 382.508 0.875 20 30 GCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733572 1202114986 /nfs/dbraw/zinc/11/49/86/1202114986.db2.gz WIYLDWICXIWGLL-BDXSIMOUSA-N 2 2 378.517 0.511 20 30 GCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733572 1202114988 /nfs/dbraw/zinc/11/49/88/1202114988.db2.gz WIYLDWICXIWGLL-BDXSIMOUSA-N 2 2 378.517 0.511 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868375 1202140686 /nfs/dbraw/zinc/14/06/86/1202140686.db2.gz NRQWJVFXCIOUCR-WCVJEAGWSA-N 2 2 379.505 0.450 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868375 1202140688 /nfs/dbraw/zinc/14/06/88/1202140688.db2.gz NRQWJVFXCIOUCR-WCVJEAGWSA-N 2 2 379.505 0.450 20 30 GCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000806210152 1205551443 /nfs/dbraw/zinc/55/14/43/1205551443.db2.gz KQWPPYQMHTWHRQ-INIZCTEOSA-N 2 2 387.459 0.598 20 30 GCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000806210152 1205551446 /nfs/dbraw/zinc/55/14/46/1205551446.db2.gz KQWPPYQMHTWHRQ-INIZCTEOSA-N 2 2 387.459 0.598 20 30 GCEDLP C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000747818020 1205668501 /nfs/dbraw/zinc/66/85/01/1205668501.db2.gz DUINDKRJLBLBRV-KRWDZBQOSA-N 2 2 383.496 0.580 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183043256 1205885745 /nfs/dbraw/zinc/88/57/45/1205885745.db2.gz NXARVIQILBEKMI-UHFFFAOYSA-N 3 2 391.560 0.335 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183043256 1205885746 /nfs/dbraw/zinc/88/57/46/1205885746.db2.gz NXARVIQILBEKMI-UHFFFAOYSA-N 3 2 391.560 0.335 20 30 GCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)[C@@H]2C)CC1 ZINC001573282731 946696923 /nfs/dbraw/zinc/69/69/23/946696923.db2.gz LXQNXCBAYOZYNY-PBHICJAKSA-N 2 2 394.483 0.690 20 30 GCEDLP CCc1nsc(N2CCN(C(NCC[NH+]3CCSCC3)=[NH+]C)CC2)n1 ZINC000261838539 638687078 /nfs/dbraw/zinc/68/70/78/638687078.db2.gz WIAAEXRULHOHLE-UHFFFAOYSA-N 2 2 383.591 0.847 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000511900488 1192194700 /nfs/dbraw/zinc/19/47/00/1192194700.db2.gz HEQYPFISTDNJCU-SJORKVTESA-N 2 2 378.521 0.605 20 30 GCEDLP CN(C(=O)NCC(=O)NCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511900488 1192194701 /nfs/dbraw/zinc/19/47/01/1192194701.db2.gz HEQYPFISTDNJCU-SJORKVTESA-N 2 2 378.521 0.605 20 30 GCEDLP C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121410479 1185779490 /nfs/dbraw/zinc/77/94/90/1185779490.db2.gz WEAYBDMAVWDICI-UHFFFAOYSA-N 2 2 396.499 0.862 20 30 GCEDLP C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121410479 1185779497 /nfs/dbraw/zinc/77/94/97/1185779497.db2.gz WEAYBDMAVWDICI-UHFFFAOYSA-N 2 2 396.499 0.862 20 30 GCEDLP CN(CC(=O)N1CCOCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329430007 1186937929 /nfs/dbraw/zinc/93/79/29/1186937929.db2.gz IAFVCUQSMXEZNB-UHFFFAOYSA-N 2 2 381.521 0.250 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000378436595 1189507121 /nfs/dbraw/zinc/50/71/21/1189507121.db2.gz QJSCITBMBVAMBC-FUMNGEBKSA-N 2 2 391.560 0.862 20 30 GCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000378436595 1189507123 /nfs/dbraw/zinc/50/71/23/1189507123.db2.gz QJSCITBMBVAMBC-FUMNGEBKSA-N 2 2 391.560 0.862 20 30 GCEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000424171944 1194804566 /nfs/dbraw/zinc/80/45/66/1194804566.db2.gz KASNZCMNHLMJAL-JKSUJKDBSA-N 2 2 387.488 0.419 20 30 GCEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000424171944 1194804568 /nfs/dbraw/zinc/80/45/68/1194804568.db2.gz KASNZCMNHLMJAL-JKSUJKDBSA-N 2 2 387.488 0.419 20 30 GCEDLP CC[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261977202 1195292971 /nfs/dbraw/zinc/29/29/71/1195292971.db2.gz NXBKHZYAMNKQGV-JKSUJKDBSA-N 2 2 382.534 0.767 20 30 GCEDLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330525620 1195694295 /nfs/dbraw/zinc/69/42/95/1195694295.db2.gz LMOKDDXJDARDEY-MGPQQGTHSA-N 2 2 393.454 0.925 20 30 GCEDLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330525620 1195694298 /nfs/dbraw/zinc/69/42/98/1195694298.db2.gz LMOKDDXJDARDEY-MGPQQGTHSA-N 2 2 393.454 0.925 20 30 GCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000329116727 1196165641 /nfs/dbraw/zinc/16/56/41/1196165641.db2.gz NNDWSFKIRGXKKB-UHFFFAOYSA-N 2 2 389.566 0.282 20 30 GCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000329116727 1196165644 /nfs/dbraw/zinc/16/56/44/1196165644.db2.gz NNDWSFKIRGXKKB-UHFFFAOYSA-N 2 2 389.566 0.282 20 30 GCEDLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000330024619 1196246866 /nfs/dbraw/zinc/24/68/66/1196246866.db2.gz JVUNBZFURRVLQO-UHFFFAOYSA-N 2 2 392.504 0.557 20 30 GCEDLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000330215211 1196259678 /nfs/dbraw/zinc/25/96/78/1196259678.db2.gz GWMQUJVHZOSWLV-VAMGGRTRSA-N 2 2 393.576 0.990 20 30 GCEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000262434591 1196383091 /nfs/dbraw/zinc/38/30/91/1196383091.db2.gz SXLJXYCVWJDUPD-ARFHVFGLSA-N 2 2 386.562 0.474 20 30 GCEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000528375221 1196853619 /nfs/dbraw/zinc/85/36/19/1196853619.db2.gz BGQNRKLQJAUYKP-GOSISDBHSA-N 2 2 380.492 0.998 20 30 GCEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000528375221 1196853627 /nfs/dbraw/zinc/85/36/27/1196853627.db2.gz BGQNRKLQJAUYKP-GOSISDBHSA-N 2 2 380.492 0.998 20 30 GCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262758031 1197155218 /nfs/dbraw/zinc/15/52/18/1197155218.db2.gz FCPDXTDLMBPVPJ-UHFFFAOYSA-N 2 2 396.561 0.995 20 30 GCEDLP C#CC[NH+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C)CC1 ZINC000282460939 1199966982 /nfs/dbraw/zinc/96/69/82/1199966982.db2.gz LMVQRWLRKVDZQY-UHFFFAOYSA-N 2 2 393.539 0.935 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C2(C(=O)N[C@H]3CCC[N@H+](CC#C)C3)CCC2)C1 ZINC000923567465 1201130115 /nfs/dbraw/zinc/13/01/15/1201130115.db2.gz AOCJXJGEKQWTHW-OALUTQOASA-N 2 2 384.524 0.584 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)C2(C(=O)N[C@H]3CCC[N@@H+](CC#C)C3)CCC2)C1 ZINC000923567465 1201130120 /nfs/dbraw/zinc/13/01/20/1201130120.db2.gz AOCJXJGEKQWTHW-OALUTQOASA-N 2 2 384.524 0.584 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923579322 1201158811 /nfs/dbraw/zinc/15/88/11/1201158811.db2.gz QGEUTFYGFKUYDK-BGYRXZFFSA-N 2 2 386.540 0.974 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923579322 1201158817 /nfs/dbraw/zinc/15/88/17/1201158817.db2.gz QGEUTFYGFKUYDK-BGYRXZFFSA-N 2 2 386.540 0.974 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923579322 1201158822 /nfs/dbraw/zinc/15/88/22/1201158822.db2.gz QGEUTFYGFKUYDK-BGYRXZFFSA-N 2 2 386.540 0.974 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923579322 1201158825 /nfs/dbraw/zinc/15/88/25/1201158825.db2.gz QGEUTFYGFKUYDK-BGYRXZFFSA-N 2 2 386.540 0.974 20 30 GCEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000611244151 1201226034 /nfs/dbraw/zinc/22/60/34/1201226034.db2.gz FIXVOZMOLYFVEV-ICSRJNTNSA-N 2 2 386.496 0.906 20 30 GCEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000611244151 1201226039 /nfs/dbraw/zinc/22/60/39/1201226039.db2.gz FIXVOZMOLYFVEV-ICSRJNTNSA-N 2 2 386.496 0.906 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427882 1202046388 /nfs/dbraw/zinc/04/63/88/1202046388.db2.gz APHMSMIHMQWSPM-AESZEHBQSA-N 2 2 379.505 0.306 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427882 1202046391 /nfs/dbraw/zinc/04/63/91/1202046391.db2.gz APHMSMIHMQWSPM-AESZEHBQSA-N 2 2 379.505 0.306 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001109719709 1202111175 /nfs/dbraw/zinc/11/11/75/1202111175.db2.gz MIOXSPWYQDCSMS-AABGKKOBSA-N 2 2 382.508 0.875 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001109719709 1202111177 /nfs/dbraw/zinc/11/11/77/1202111177.db2.gz MIOXSPWYQDCSMS-AABGKKOBSA-N 2 2 382.508 0.875 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718806 1202111187 /nfs/dbraw/zinc/11/11/87/1202111187.db2.gz LDQYWLXIWBCSBD-BDXSIMOUSA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718806 1202111188 /nfs/dbraw/zinc/11/11/88/1202111188.db2.gz LDQYWLXIWBCSBD-BDXSIMOUSA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109718806 1202111190 /nfs/dbraw/zinc/11/11/90/1202111190.db2.gz LDQYWLXIWBCSBD-BDXSIMOUSA-N 2 2 375.517 0.812 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109718806 1202111193 /nfs/dbraw/zinc/11/11/93/1202111193.db2.gz LDQYWLXIWBCSBD-BDXSIMOUSA-N 2 2 375.517 0.812 20 30 GCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000806210153 1205551503 /nfs/dbraw/zinc/55/15/03/1205551503.db2.gz KQWPPYQMHTWHRQ-MRXNPFEDSA-N 2 2 387.459 0.598 20 30 GCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000806210153 1205551504 /nfs/dbraw/zinc/55/15/04/1205551504.db2.gz KQWPPYQMHTWHRQ-MRXNPFEDSA-N 2 2 387.459 0.598 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103190 1205628469 /nfs/dbraw/zinc/62/84/69/1205628469.db2.gz IYLGMYVNUMJZPQ-WCVJEAGWSA-N 2 2 377.489 0.204 20 30 GCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103190 1205628472 /nfs/dbraw/zinc/62/84/72/1205628472.db2.gz IYLGMYVNUMJZPQ-WCVJEAGWSA-N 2 2 377.489 0.204 20 30 GCEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3ccnc(C#N)c3)CC2)C1=O ZINC001177666928 1205773701 /nfs/dbraw/zinc/77/37/01/1205773701.db2.gz IIJYDEWKLPSLID-UHFFFAOYSA-N 2 2 398.511 0.193 20 30 GCEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3ccnc(C#N)c3)CC2)C1=O ZINC001177666928 1205773703 /nfs/dbraw/zinc/77/37/03/1205773703.db2.gz IIJYDEWKLPSLID-UHFFFAOYSA-N 2 2 398.511 0.193 20 30 GCEDLP C=C(C[NH+]1CCCC1)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001183043151 1205885740 /nfs/dbraw/zinc/88/57/40/1205885740.db2.gz LLDGMEZTBVSYIC-UHFFFAOYSA-N 2 2 382.468 0.872 20 30 GCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573284927 946763350 /nfs/dbraw/zinc/76/33/50/946763350.db2.gz AMNCBDFXVYARGX-HNNXBMFYSA-N 2 2 387.513 0.964 20 30 GCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573284927 946763361 /nfs/dbraw/zinc/76/33/61/946763361.db2.gz AMNCBDFXVYARGX-HNNXBMFYSA-N 2 2 387.513 0.964 20 30 GCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C(C)C ZINC000276586297 1185916843 /nfs/dbraw/zinc/91/68/43/1185916843.db2.gz UPZQXDUGZVTMGX-ZWKOTPCHSA-N 2 2 395.548 0.513 20 30 GCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C(C)C ZINC000276586297 1185916846 /nfs/dbraw/zinc/91/68/46/1185916846.db2.gz UPZQXDUGZVTMGX-ZWKOTPCHSA-N 2 2 395.548 0.513 20 30 GCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000891605523 1185939308 /nfs/dbraw/zinc/93/93/08/1185939308.db2.gz GOYRYIWXAVZOTE-LJQANCHMSA-N 2 2 397.523 0.981 20 30 GCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000891605523 1185939312 /nfs/dbraw/zinc/93/93/12/1185939312.db2.gz GOYRYIWXAVZOTE-LJQANCHMSA-N 2 2 397.523 0.981 20 30 GCEDLP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261788027 1193918991 /nfs/dbraw/zinc/91/89/91/1193918991.db2.gz QPCRGJYQWDSPKX-UHFFFAOYSA-N 2 2 395.511 0.702 20 30 GCEDLP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261788027 1193918992 /nfs/dbraw/zinc/91/89/92/1193918992.db2.gz QPCRGJYQWDSPKX-UHFFFAOYSA-N 2 2 395.511 0.702 20 30 GCEDLP CC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261717240 1193923658 /nfs/dbraw/zinc/92/36/58/1193923658.db2.gz KMSWTRPNNLWEEZ-UHFFFAOYSA-N 2 2 387.492 0.034 20 30 GCEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000263075728 1193961552 /nfs/dbraw/zinc/96/15/52/1193961552.db2.gz CKEXFKUOKSJNCC-HOTGVXAUSA-N 2 2 375.521 0.801 20 30 GCEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000420147436 1194193809 /nfs/dbraw/zinc/19/38/09/1194193809.db2.gz CQMZBAPGYFSXPM-UHFFFAOYSA-N 2 2 379.411 0.303 20 30 GCEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000420147436 1194193810 /nfs/dbraw/zinc/19/38/10/1194193810.db2.gz CQMZBAPGYFSXPM-UHFFFAOYSA-N 2 2 379.411 0.303 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550580656 1196093048 /nfs/dbraw/zinc/09/30/48/1196093048.db2.gz IPTSYSDWWGQWOY-HZPDHXFCSA-N 2 2 380.533 0.757 20 30 GCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000329113063 1196165819 /nfs/dbraw/zinc/16/58/19/1196165819.db2.gz LBBWEFMFUCRYRX-OAHLLOKOSA-N 2 2 389.566 0.282 20 30 GCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000329113063 1196165821 /nfs/dbraw/zinc/16/58/21/1196165821.db2.gz LBBWEFMFUCRYRX-OAHLLOKOSA-N 2 2 389.566 0.282 20 30 GCEDLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(O)CC[NH+](C)CC3)ccn2)CC1 ZINC000329858520 1196234457 /nfs/dbraw/zinc/23/44/57/1196234457.db2.gz WCGJHDUFKXHTLZ-UHFFFAOYSA-N 2 2 390.488 0.252 20 30 GCEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000262434611 1196383202 /nfs/dbraw/zinc/38/32/02/1196383202.db2.gz SXLJXYCVWJDUPD-XHSDSOJGSA-N 2 2 386.562 0.474 20 30 GCEDLP COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000527354123 1196781767 /nfs/dbraw/zinc/78/17/67/1196781767.db2.gz YXZJNVFHXHAAPP-UHFFFAOYSA-N 2 2 387.484 0.990 20 30 GCEDLP COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000527354123 1196781770 /nfs/dbraw/zinc/78/17/70/1196781770.db2.gz YXZJNVFHXHAAPP-UHFFFAOYSA-N 2 2 387.484 0.990 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672355645 1199215837 /nfs/dbraw/zinc/21/58/37/1199215837.db2.gz JNJAREDOKXTRDL-KRWDZBQOSA-N 3 2 377.533 0.038 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672355645 1199215841 /nfs/dbraw/zinc/21/58/41/1199215841.db2.gz JNJAREDOKXTRDL-KRWDZBQOSA-N 3 2 377.533 0.038 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672357086 1199215914 /nfs/dbraw/zinc/21/59/14/1199215914.db2.gz YBSNXFOHJQVRPY-GOSISDBHSA-N 3 2 391.560 0.428 20 30 GCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672357086 1199215917 /nfs/dbraw/zinc/21/59/17/1199215917.db2.gz YBSNXFOHJQVRPY-GOSISDBHSA-N 3 2 391.560 0.428 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672354891 1199216948 /nfs/dbraw/zinc/21/69/48/1199216948.db2.gz JHEWMLZWPQPYIJ-LJQANCHMSA-N 3 2 391.560 0.380 20 30 GCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672354891 1199216952 /nfs/dbraw/zinc/21/69/52/1199216952.db2.gz JHEWMLZWPQPYIJ-LJQANCHMSA-N 3 2 391.560 0.380 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000139988341 1200187256 /nfs/dbraw/zinc/18/72/56/1200187256.db2.gz DEEGYSGGQKVPFX-AEFFLSMTSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC2)o1 ZINC000139988341 1200187261 /nfs/dbraw/zinc/18/72/61/1200187261.db2.gz DEEGYSGGQKVPFX-AEFFLSMTSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC2)o1 ZINC000139988341 1200187264 /nfs/dbraw/zinc/18/72/64/1200187264.db2.gz DEEGYSGGQKVPFX-AEFFLSMTSA-N 2 2 386.500 0.919 20 30 GCEDLP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC2)o1 ZINC000139988341 1200187267 /nfs/dbraw/zinc/18/72/67/1200187267.db2.gz DEEGYSGGQKVPFX-AEFFLSMTSA-N 2 2 386.500 0.919 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563666 1201134898 /nfs/dbraw/zinc/13/48/98/1201134898.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563666 1201134902 /nfs/dbraw/zinc/13/49/02/1201134902.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563666 1201134905 /nfs/dbraw/zinc/13/49/05/1201134905.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 2 2 386.540 0.686 20 30 GCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563666 1201134908 /nfs/dbraw/zinc/13/49/08/1201134908.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 2 2 386.540 0.686 20 30 GCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977552 1201314698 /nfs/dbraw/zinc/31/46/98/1201314698.db2.gz JALIYXUHJTTWGD-AKHDSKFASA-N 2 2 381.517 0.648 20 30 GCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977552 1201314703 /nfs/dbraw/zinc/31/47/03/1201314703.db2.gz JALIYXUHJTTWGD-AKHDSKFASA-N 2 2 381.517 0.648 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109450384 1202054444 /nfs/dbraw/zinc/05/44/44/1202054444.db2.gz PUWCSTWCNKPZKZ-OWSLCNJRSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109450384 1202054447 /nfs/dbraw/zinc/05/44/47/1202054447.db2.gz PUWCSTWCNKPZKZ-OWSLCNJRSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109450384 1202054449 /nfs/dbraw/zinc/05/44/49/1202054449.db2.gz PUWCSTWCNKPZKZ-OWSLCNJRSA-N 2 2 375.517 0.954 20 30 GCEDLP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109450384 1202054451 /nfs/dbraw/zinc/05/44/51/1202054451.db2.gz PUWCSTWCNKPZKZ-OWSLCNJRSA-N 2 2 375.517 0.954 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650000 1202098245 /nfs/dbraw/zinc/09/82/45/1202098245.db2.gz NPAORCHQIWREGV-ILXRZTDVSA-N 2 2 377.489 0.062 20 30 GCEDLP C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650000 1202098250 /nfs/dbraw/zinc/09/82/50/1202098250.db2.gz NPAORCHQIWREGV-ILXRZTDVSA-N 2 2 377.489 0.062 20 30 GCEDLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001109673261 1202103508 /nfs/dbraw/zinc/10/35/08/1202103508.db2.gz GIZXZSPKJMGLIC-AABGKKOBSA-N 2 2 382.508 0.828 20 30 GCEDLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001109673261 1202103510 /nfs/dbraw/zinc/10/35/10/1202103510.db2.gz GIZXZSPKJMGLIC-AABGKKOBSA-N 2 2 382.508 0.828 20 30 GCEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109888392 1202143711 /nfs/dbraw/zinc/14/37/11/1202143711.db2.gz CPZZBNBEQJIODG-SQNIBIBYSA-N 2 2 378.436 0.352 20 30 GCEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109888392 1202143712 /nfs/dbraw/zinc/14/37/12/1202143712.db2.gz CPZZBNBEQJIODG-SQNIBIBYSA-N 2 2 378.436 0.352 20 30 GCEDLP C#CCNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000747817963 1205668464 /nfs/dbraw/zinc/66/84/64/1205668464.db2.gz ARECAVBLCXBWPZ-UHFFFAOYSA-N 2 2 383.496 0.582 20 30 GCEDLP