smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000642795941 376198232 /nfs/dbraw/zinc/19/82/32/376198232.db2.gz QANPTABUNJHHOE-OAHLLOKOSA-N 2 0 337.468 -0.756 20 30 EBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419883266 420905938 /nfs/dbraw/zinc/90/59/38/420905938.db2.gz MSNMACZXVVPIAM-MRXNPFEDSA-N 2 0 343.431 -0.073 20 30 EBEDRP C#CCN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC[NH+](C)CC1 ZINC000902538680 582802597 /nfs/dbraw/zinc/80/25/97/582802597.db2.gz UIXQFYRRZLWFCK-UHFFFAOYSA-N 2 0 347.463 -0.011 20 30 EBEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000854094537 584234491 /nfs/dbraw/zinc/23/44/91/584234491.db2.gz UWXWVWYUQTUAIQ-UHFFFAOYSA-N 2 0 325.457 -0.397 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](O)CN(C)C(=O)C(=C)C[NH+](C)C ZINC000854609498 584244432 /nfs/dbraw/zinc/24/44/32/584244432.db2.gz RTORYEFXCPLTQW-AWEZNQCLSA-N 2 0 326.441 -0.843 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868389278 584427627 /nfs/dbraw/zinc/42/76/27/584427627.db2.gz OWXPLXSIHIINSU-CQSZACIVSA-N 2 0 326.441 -0.601 20 30 EBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876767811 584522835 /nfs/dbraw/zinc/52/28/35/584522835.db2.gz CPVXGGCOLJKPIP-KGLIPLIRSA-N 2 0 330.860 -0.021 20 30 EBEDRP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000262313172 649986855 /nfs/dbraw/zinc/98/68/55/649986855.db2.gz QBMSUUWTRHIYKI-KGLIPLIRSA-N 2 0 325.457 -0.383 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2ccccn2)CC1 ZINC000262796133 649988388 /nfs/dbraw/zinc/98/83/88/649988388.db2.gz PMYQQDFIQHANKZ-INIZCTEOSA-N 2 0 343.479 -0.221 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC000962771631 723321534 /nfs/dbraw/zinc/32/15/34/723321534.db2.gz HLHSNZWTMBPRJR-QMCVQRASSA-N 2 0 346.475 -0.145 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000993858895 725954791 /nfs/dbraw/zinc/95/47/91/725954791.db2.gz IUOFHMMSSLEKBC-RHSMWYFYSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC000999903479 726540759 /nfs/dbraw/zinc/54/07/59/726540759.db2.gz MCEBNHAMUMLPRR-RHSMWYFYSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001025814001 730095055 /nfs/dbraw/zinc/09/50/55/730095055.db2.gz AFTISLNXXDYEKI-LEOABGAYSA-N 2 0 330.432 -0.591 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC001026428022 730144644 /nfs/dbraw/zinc/14/46/44/730144644.db2.gz YIAFGDFUIZUFTR-JYJNAYRXSA-N 2 0 332.448 -0.357 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001029004517 730382836 /nfs/dbraw/zinc/38/28/36/730382836.db2.gz YFPVCPZXXLCMFO-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001030019211 730535527 /nfs/dbraw/zinc/53/55/27/730535527.db2.gz RSHQHNMQFYPRDW-XHSDSOJGSA-N 2 0 332.448 -0.057 20 30 EBEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC001046075489 733850441 /nfs/dbraw/zinc/85/04/41/733850441.db2.gz UTXSGQPANZWMEE-QGZVFWFLSA-N 2 0 348.491 -0.051 20 30 EBEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055629683 736414620 /nfs/dbraw/zinc/41/46/20/736414620.db2.gz HKLRTKZUTINCJH-ZFWWWQNUSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077417915 742964636 /nfs/dbraw/zinc/96/46/36/742964636.db2.gz DLUQLUJOVRNHBY-DSZOFWSKSA-N 2 0 335.448 -0.023 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CC1 ZINC001078818674 743739630 /nfs/dbraw/zinc/73/96/30/743739630.db2.gz BANFHPMXFVHHKG-GJZGRUSLSA-N 2 0 332.448 -0.166 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC000985151538 807456188 /nfs/dbraw/zinc/45/61/88/807456188.db2.gz YXBBPQMWSIDVBS-CTYIDZIISA-N 2 0 345.451 -0.460 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184561 810312340 /nfs/dbraw/zinc/31/23/40/810312340.db2.gz JMPPGNVLPZJHEM-QCZOYZIOSA-N 2 0 347.459 -0.064 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413484 810327707 /nfs/dbraw/zinc/32/77/07/810327707.db2.gz GYKNFIDHUSSLIS-QLFBSQMISA-N 2 0 334.464 -0.097 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453509 810329791 /nfs/dbraw/zinc/32/97/91/810329791.db2.gz FYZPKJHURDDIDH-IIAWOOMASA-N 2 0 334.464 -0.097 20 30 EBEDRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218552453 810501087 /nfs/dbraw/zinc/50/10/87/810501087.db2.gz IYKTUGCJXOMYSX-XVKPBYJWSA-N 2 0 337.405 -0.972 20 30 EBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001218597404 810509510 /nfs/dbraw/zinc/50/95/10/810509510.db2.gz UTWTYGVWOUNBOK-NSHDSACASA-N 2 0 332.412 -0.661 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001036902389 811308044 /nfs/dbraw/zinc/30/80/44/811308044.db2.gz JXNZHSLLYWWJLN-HZPDHXFCSA-N 2 0 332.448 -0.260 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224558549 811766227 /nfs/dbraw/zinc/76/62/27/811766227.db2.gz HLJCLXQSONLQTA-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)C1CC1 ZINC001226790504 811884525 /nfs/dbraw/zinc/88/45/25/811884525.db2.gz DFGTWOWWYPPTCK-IIAWOOMASA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001263163154 813109263 /nfs/dbraw/zinc/10/92/63/813109263.db2.gz INBHUNYKIUSRRQ-AWEZNQCLSA-N 2 0 330.436 -0.252 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265422659 813321845 /nfs/dbraw/zinc/32/18/45/813321845.db2.gz VJMRQRJAJHDXHE-STQMWFEESA-N 2 0 337.424 -0.717 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001265460040 813327967 /nfs/dbraw/zinc/32/79/67/813327967.db2.gz WUDVOMWICJVEMZ-JSGCOSHPSA-N 2 0 349.435 -0.895 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001266732045 813655184 /nfs/dbraw/zinc/65/51/84/813655184.db2.gz AABROOKQWOGRMJ-FPMFFAJLSA-N 2 0 349.435 -0.848 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267587664 813942895 /nfs/dbraw/zinc/94/28/95/813942895.db2.gz BOJOEPCKSYPRGM-AWEZNQCLSA-N 2 0 335.452 -0.252 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001267858317 814057986 /nfs/dbraw/zinc/05/79/86/814057986.db2.gz QFXBQBJMCKXORK-GOSISDBHSA-N 2 0 334.464 -0.048 20 30 EBEDRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269123 814168908 /nfs/dbraw/zinc/16/89/08/814168908.db2.gz SYBKJZKKACYDGY-GJZGRUSLSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001268673624 814347409 /nfs/dbraw/zinc/34/74/09/814347409.db2.gz ISOYJHCAUQAXLB-VXGBXAGGSA-N 2 0 337.424 -0.991 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001269378001 814669263 /nfs/dbraw/zinc/66/92/63/814669263.db2.gz MCBRSRMZOIPXQJ-CHWSQXEVSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269800228 815609368 /nfs/dbraw/zinc/60/93/68/815609368.db2.gz ZFLWLFHVCKCZMW-JKSUJKDBSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084090304 815827517 /nfs/dbraw/zinc/82/75/17/815827517.db2.gz UBXUOERZWWYUHU-JQHSSLGASA-N 2 0 349.475 -0.081 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001271880239 816243072 /nfs/dbraw/zinc/24/30/72/816243072.db2.gz KOCUBQVASZDABQ-SOUVJXGZSA-N 2 0 333.436 -0.642 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001272545382 816469477 /nfs/dbraw/zinc/46/94/77/816469477.db2.gz NMYONXBQAQTRBT-AWEZNQCLSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001272584411 816486079 /nfs/dbraw/zinc/48/60/79/816486079.db2.gz NPZGLHWUVLHIIC-IUODEOHRSA-N 2 0 348.451 -0.414 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001273495704 816684761 /nfs/dbraw/zinc/68/47/61/816684761.db2.gz HXEIZRVVRWJRNG-GJZGRUSLSA-N 2 0 340.468 -0.212 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2ccnc2C)C1 ZINC001273935605 816815766 /nfs/dbraw/zinc/81/57/66/816815766.db2.gz FRMOMBWOAREFDT-QGZVFWFLSA-N 2 0 349.435 -0.563 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274034031 816845277 /nfs/dbraw/zinc/84/52/77/816845277.db2.gz BLYMMXMJCJWLTI-WIJLQKJISA-N 2 0 332.448 -0.272 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001274521407 816990907 /nfs/dbraw/zinc/99/09/07/816990907.db2.gz TZBIESNDYREZKL-HZPDHXFCSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCOC[C@@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274555732 817004827 /nfs/dbraw/zinc/00/48/27/817004827.db2.gz ZNMFLAMSYDJRLK-INIZCTEOSA-N 2 0 337.464 -0.127 20 30 EBEDRP C=CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274605659 817034463 /nfs/dbraw/zinc/03/44/63/817034463.db2.gz PXTBFOPRXQLHAH-NVXWUHKLSA-N 2 0 341.452 -0.585 20 30 EBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090272099 817214058 /nfs/dbraw/zinc/21/40/58/817214058.db2.gz MEOQJTOTDWBXDD-GDBMZVCRSA-N 2 0 333.436 -0.367 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN(C)CCNS(C)(=O)=O ZINC001275573647 817253337 /nfs/dbraw/zinc/25/33/37/817253337.db2.gz FVQFXXSTCJKGGV-KGLIPLIRSA-N 2 0 344.481 -0.930 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278542724 817778638 /nfs/dbraw/zinc/77/86/38/817778638.db2.gz UFDWLQZYYXRNFX-INIZCTEOSA-N 2 0 335.452 -0.204 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278586230 817783074 /nfs/dbraw/zinc/78/30/74/817783074.db2.gz QQGVDZQFTSOLKH-KBPBESRZSA-N 2 0 335.452 -0.158 20 30 EBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278754999 817809978 /nfs/dbraw/zinc/80/99/78/817809978.db2.gz CPOYLABESQCVDB-HZPDHXFCSA-N 2 0 325.453 -0.082 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279007362 817900951 /nfs/dbraw/zinc/90/09/51/817900951.db2.gz YSLUKDZWHMDSLK-ZIAGYGMSSA-N 2 0 335.452 -0.063 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCOCC1 ZINC001281284792 818135924 /nfs/dbraw/zinc/13/59/24/818135924.db2.gz JOJGLZKHWNFIKE-UHFFFAOYSA-N 2 0 339.440 -0.779 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@H]3CCNC3=O)[C@H](C)C2)CC1 ZINC001094240029 818184525 /nfs/dbraw/zinc/18/45/25/818184525.db2.gz NJWMIROCTBMTOC-OIISXLGYSA-N 2 0 346.475 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001100606501 820484637 /nfs/dbraw/zinc/48/46/37/820484637.db2.gz IOJIXRFJJBAZAS-UIDBIOKJSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001105008303 821569949 /nfs/dbraw/zinc/56/99/49/821569949.db2.gz XHPBINWBZQXEFM-RBSFLKMASA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CCO)[C@H](OCC)C2)CC1 ZINC001316696616 821830842 /nfs/dbraw/zinc/83/08/42/821830842.db2.gz VOZPOSVGIWOSTO-IAGOWNOFSA-N 2 0 337.464 -0.223 20 30 EBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317294898 822071559 /nfs/dbraw/zinc/07/15/59/822071559.db2.gz APCVWKODLJJAQK-HZPDHXFCSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCNC(=O)C2CC2)CC1 ZINC001317472305 822124776 /nfs/dbraw/zinc/12/47/76/822124776.db2.gz ZOGOXBFIODUQIA-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106142922 822183084 /nfs/dbraw/zinc/18/30/84/822183084.db2.gz DGULGSDTGZIHSW-OIISXLGYSA-N 2 0 346.475 -0.238 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885244 822348104 /nfs/dbraw/zinc/34/81/04/822348104.db2.gz YTQJFMJHQHSOTR-OWCLPIDISA-N 2 0 346.475 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C2)CC1 ZINC001107030405 823719788 /nfs/dbraw/zinc/71/97/88/823719788.db2.gz CPZRWKBZGWJJOT-GDBMZVCRSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219243 828582472 /nfs/dbraw/zinc/58/24/72/828582472.db2.gz BJMCLVFNKOEAJT-CABCVRRESA-N 2 0 330.436 -0.015 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129849961 828681458 /nfs/dbraw/zinc/68/14/58/828681458.db2.gz FRULZDYKGTYXMN-ZACQAIPSSA-N 2 0 342.447 -0.015 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129891967 828689316 /nfs/dbraw/zinc/68/93/16/828689316.db2.gz ATRSNAIKZNRXES-PMPSAXMXSA-N 2 0 330.436 -0.017 20 30 EBEDRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112523134 825453660 /nfs/dbraw/zinc/45/36/60/825453660.db2.gz DOCIKWZNNMMOAQ-YOEHRIQHSA-N 2 0 335.452 -0.204 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114402994 826235467 /nfs/dbraw/zinc/23/54/67/826235467.db2.gz LPPXATYDFGQDDW-OIPACUDHSA-N 2 0 347.463 -0.065 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406573 826236551 /nfs/dbraw/zinc/23/65/51/826236551.db2.gz GLHKUKKXQVUOFQ-KBXIAJHMSA-N 2 0 332.448 -0.345 20 30 EBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114590691 826293958 /nfs/dbraw/zinc/29/39/58/826293958.db2.gz XACUKROEDIPISJ-RFROQXIJSA-N 2 0 345.443 -0.454 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001180898596 833121119 /nfs/dbraw/zinc/12/11/19/833121119.db2.gz BPUZMCHMLODBDU-JKIFEVAISA-N 2 0 335.452 -0.205 20 30 EBEDRP C[NH+](C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2)C1CC1 ZINC001121247021 827329449 /nfs/dbraw/zinc/32/94/49/827329449.db2.gz VIUPIBQPEYMTBC-PWSPWJLVSA-N 2 0 347.463 -0.017 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121772886 827446792 /nfs/dbraw/zinc/44/67/92/827446792.db2.gz JTRJFSBMYWXSMU-ZKPTZSFGSA-N 2 0 346.475 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC001182740899 833255101 /nfs/dbraw/zinc/25/51/01/833255101.db2.gz HIYRNJYYSNUESP-CXAGYDPISA-N 2 0 331.420 -0.224 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001124873544 827972877 /nfs/dbraw/zinc/97/28/77/827972877.db2.gz XUJQUJXUGOEVJV-QGZVFWFLSA-N 2 0 342.443 -0.046 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184292260 833326003 /nfs/dbraw/zinc/32/60/03/833326003.db2.gz JXQUXFOTFCBMPZ-CQSZACIVSA-N 2 0 325.372 -0.112 20 30 EBEDRP C=CCN1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131392650 829128641 /nfs/dbraw/zinc/12/86/41/829128641.db2.gz BKTBKOCQDBGBRC-UHFFFAOYSA-N 2 0 326.441 -0.599 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680942 833366818 /nfs/dbraw/zinc/36/68/18/833366818.db2.gz HNOFGYLCKRICCM-HZPDHXFCSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520411 829153134 /nfs/dbraw/zinc/15/31/34/829153134.db2.gz XSIRAUCOWYXCDU-DGSCNEQVSA-N 2 0 348.447 -0.658 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234015 833392801 /nfs/dbraw/zinc/39/28/01/833392801.db2.gz BOTAWBFECZEJFR-MRXNPFEDSA-N 2 0 333.436 -0.101 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132997149 829569113 /nfs/dbraw/zinc/56/91/13/829569113.db2.gz CTOVXDZGJWMRMB-GFCCVEGCSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133246317 829610710 /nfs/dbraw/zinc/61/07/10/829610710.db2.gz USNMHRQDWUHGMT-JKSUJKDBSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285792 829615094 /nfs/dbraw/zinc/61/50/94/829615094.db2.gz IWNRGSLFYAQYHP-GFCCVEGCSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845304 829684959 /nfs/dbraw/zinc/68/49/59/829684959.db2.gz AUGOJEQHTJIMJD-GFCCVEGCSA-N 2 0 325.413 -0.954 20 30 EBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)COCC[NH+](C)C ZINC001135923104 830046898 /nfs/dbraw/zinc/04/68/98/830046898.db2.gz GWKMWFWJEICAMH-STQMWFEESA-N 2 0 327.429 -0.923 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001211306485 837425648 /nfs/dbraw/zinc/42/56/48/837425648.db2.gz CJXSWBOWFDBUKG-DJIMGWMZSA-N 2 0 337.464 -0.225 20 30 EBEDRP C#CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143915674 830157095 /nfs/dbraw/zinc/15/70/95/830157095.db2.gz HTZIONGLKJSYQE-UNPMEBSKSA-N 2 0 341.452 -0.085 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570380 830509542 /nfs/dbraw/zinc/50/95/42/830509542.db2.gz CDRUJBFQDFXVBH-UHFFFAOYSA-N 2 0 327.429 -0.564 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655320 830525048 /nfs/dbraw/zinc/52/50/48/830525048.db2.gz MDUMIJXIEGHAPJ-LBPRGKRZSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N[C@H](C)C2CC2)CC1 ZINC001152330496 831152764 /nfs/dbraw/zinc/15/27/64/831152764.db2.gz PVTFLAYQTMXHQV-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791302 831430353 /nfs/dbraw/zinc/43/03/53/831430353.db2.gz VQQYPLZYMXVBPZ-GFCCVEGCSA-N 2 0 325.413 -0.812 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576260 831666706 /nfs/dbraw/zinc/66/67/06/831666706.db2.gz AXWBTLIRGHCUMB-QCNOEVLYSA-N 2 0 349.428 -0.772 20 30 EBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161492867 831966084 /nfs/dbraw/zinc/96/60/84/831966084.db2.gz XXTIPXJABKPTEX-CYBMUJFWSA-N 2 0 337.424 -0.958 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872163 832068727 /nfs/dbraw/zinc/06/87/27/832068727.db2.gz IOBMTXTXBCCBQC-CQDIZWNASA-N 2 0 348.447 -0.917 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164535676 832194869 /nfs/dbraw/zinc/19/48/69/832194869.db2.gz AFEJAKJCSHUNFE-CABCVRRESA-N 2 0 338.452 -0.671 20 30 EBEDRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)C1CC1 ZINC001165485244 832223583 /nfs/dbraw/zinc/22/35/83/832223583.db2.gz QFLHAYKGSSUYCC-OAHLLOKOSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237213 832319930 /nfs/dbraw/zinc/31/99/30/832319930.db2.gz XHQGIEFWDPUYCT-CABCVRRESA-N 2 0 334.464 -0.190 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530878 832466119 /nfs/dbraw/zinc/46/61/19/832466119.db2.gz HUGMBCDTTVSZPK-AWEZNQCLSA-N 2 0 338.452 -0.669 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303293 832555276 /nfs/dbraw/zinc/55/52/76/832555276.db2.gz DTCLIOFUTKOYRX-UHFFFAOYSA-N 2 0 335.452 -0.060 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303353 832555862 /nfs/dbraw/zinc/55/58/62/832555862.db2.gz HDOWOWSOSUGQSS-UHFFFAOYSA-N 2 0 337.424 -0.810 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171770697 832575771 /nfs/dbraw/zinc/57/57/71/832575771.db2.gz XZCQYDWJTSUBPG-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001176926655 832712024 /nfs/dbraw/zinc/71/20/24/832712024.db2.gz RUWRITYONHXQQZ-CYBMUJFWSA-N 2 0 333.440 -0.288 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCN2CCNC2=O)CC1 ZINC001176926857 832712122 /nfs/dbraw/zinc/71/21/22/832712122.db2.gz XXPXIEPZIAQMJK-UHFFFAOYSA-N 2 0 335.452 -0.547 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107080 833901614 /nfs/dbraw/zinc/90/16/14/833901614.db2.gz UKAWANVNRNNULY-ZIAGYGMSSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001188118476 834007523 /nfs/dbraw/zinc/00/75/23/834007523.db2.gz WUDVOMWICJVEMZ-TZMCWYRMSA-N 2 0 349.435 -0.895 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)CC1 ZINC001194247289 835058922 /nfs/dbraw/zinc/05/89/22/835058922.db2.gz VVBOKYWBZIUGDK-KRWDZBQOSA-N 2 0 337.464 -0.127 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800261 836193390 /nfs/dbraw/zinc/19/33/90/836193390.db2.gz IEHFYAVCLIKTQP-OAHLLOKOSA-N 2 0 340.468 -0.163 20 30 EBEDRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201801194 836194514 /nfs/dbraw/zinc/19/45/14/836194514.db2.gz UUNCBGXWXJVHPC-AWEZNQCLSA-N 2 0 339.440 -0.825 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001202140622 836261618 /nfs/dbraw/zinc/26/16/18/836261618.db2.gz CDXATYINLXOXEG-OAHLLOKOSA-N 2 0 336.436 -0.976 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315580 836290991 /nfs/dbraw/zinc/29/09/91/836290991.db2.gz AXVBOEDKEATEML-UHFFFAOYSA-N 2 0 339.440 -0.470 20 30 EBEDRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001202771824 836344992 /nfs/dbraw/zinc/34/49/92/836344992.db2.gz LKJNWQJOSHNXOE-UHFFFAOYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203354316 836424613 /nfs/dbraw/zinc/42/46/13/836424613.db2.gz AACDBIRLCPMTSS-AWEZNQCLSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732010 836469569 /nfs/dbraw/zinc/46/95/69/836469569.db2.gz UQLSVYOJIBWXRM-LSDHHAIUSA-N 2 0 332.448 -0.151 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794211 836478372 /nfs/dbraw/zinc/47/83/72/836478372.db2.gz VNJHVOSZUUHQAC-ZIAGYGMSSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCOCCO)CC2)CC1 ZINC001203869241 836484132 /nfs/dbraw/zinc/48/41/32/836484132.db2.gz BPWVDBIDGFPNOX-UHFFFAOYSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874948 836688164 /nfs/dbraw/zinc/68/81/64/836688164.db2.gz PEFRKEYKRCBOID-UHFFFAOYSA-N 2 0 332.448 -0.340 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208057541 836938398 /nfs/dbraw/zinc/93/83/98/836938398.db2.gz YQXGOTYWEWJUEP-HZPDHXFCSA-N 2 0 332.448 -0.342 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208490020 837063358 /nfs/dbraw/zinc/06/33/58/837063358.db2.gz WBRGGFQDZJOLHC-CQSZACIVSA-N 2 0 333.436 -0.165 20 30 EBEDRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001209962960 837220054 /nfs/dbraw/zinc/22/00/54/837220054.db2.gz DIVBAPCUYYYEGZ-OAHLLOKOSA-N 2 0 335.452 -0.061 20 30 EBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730607 837854724 /nfs/dbraw/zinc/85/47/24/837854724.db2.gz SIPAWEFPVVEFAM-HUUCEWRRSA-N 2 0 329.441 -0.417 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001321586349 839026989 /nfs/dbraw/zinc/02/69/89/839026989.db2.gz WYSOEVWIOZLKEO-CYBMUJFWSA-N 2 0 340.387 -0.275 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001332378489 841628959 /nfs/dbraw/zinc/62/89/59/841628959.db2.gz AVYSXFMZJKDGTH-RBSFLKMASA-N 2 0 334.464 -0.097 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001332524030 841660496 /nfs/dbraw/zinc/66/04/96/841660496.db2.gz ZSRKDWHZIOYVAP-UONOGXRCSA-N 2 0 338.452 -0.983 20 30 EBEDRP C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332646058 841702862 /nfs/dbraw/zinc/70/28/62/841702862.db2.gz CFZCFZJIFSDFGN-CABCVRRESA-N 2 0 340.468 -0.476 20 30 EBEDRP C#CC[NH2+]CC(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001341797906 843114005 /nfs/dbraw/zinc/11/40/05/843114005.db2.gz OHZVRUJKPWKUQB-CQSZACIVSA-N 2 0 329.466 -0.433 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@@H](C)C(=O)NC)C2CC2)CC1 ZINC001670555568 1125808327 /nfs/dbraw/zinc/80/83/27/1125808327.db2.gz ATUWHGKFSCZCHH-XJKSGUPXSA-N 2 0 334.464 -0.050 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481275003 1125961783 /nfs/dbraw/zinc/96/17/83/1125961783.db2.gz AJCGYIJVCXEHAJ-UHFFFAOYSA-N 2 0 339.440 -0.612 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001481882877 1126064147 /nfs/dbraw/zinc/06/41/47/1126064147.db2.gz UWTNQGQYOFHPLF-INIZCTEOSA-N 2 0 332.448 -0.435 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691508985 1126131235 /nfs/dbraw/zinc/13/12/35/1126131235.db2.gz KSCHEXHZGRNNKJ-SHTZXODSSA-N 2 0 332.448 -0.151 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001482663762 1126248349 /nfs/dbraw/zinc/24/83/49/1126248349.db2.gz BXAWTMGLMKJJSE-CABCVRRESA-N 2 0 345.447 -0.355 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001483567649 1126435462 /nfs/dbraw/zinc/43/54/62/1126435462.db2.gz QFOCMWJLECPPGS-HOTGVXAUSA-N 2 0 330.436 -0.140 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414836 1126571970 /nfs/dbraw/zinc/57/19/70/1126571970.db2.gz DHHMGWWQHXZSCH-XUWVNRHRSA-N 2 0 332.448 -0.534 20 30 EBEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001491047326 1130305356 /nfs/dbraw/zinc/30/53/56/1130305356.db2.gz JPMJLOZUZWXLOJ-SOUVJXGZSA-N 2 0 335.452 -0.015 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001491047325 1130305613 /nfs/dbraw/zinc/30/56/13/1130305613.db2.gz JPMJLOZUZWXLOJ-KFWWJZLASA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001491059515 1130307268 /nfs/dbraw/zinc/30/72/68/1130307268.db2.gz SKAYZLRXUPJQLU-PHIMTYICSA-N 2 0 334.380 -0.799 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001491370819 1130418320 /nfs/dbraw/zinc/41/83/20/1130418320.db2.gz BNDPEYBSFISNMM-WLYUNCDWSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(c2ncccn2)CC1 ZINC000088686541 377008767 /nfs/dbraw/zinc/00/87/67/377008767.db2.gz KTAMECUTRPGPMJ-OAHLLOKOSA-N 2 0 346.483 -0.580 20 30 EBEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303892544 380774736 /nfs/dbraw/zinc/77/47/36/380774736.db2.gz RHIQEYYHBWEAKM-UHFFFAOYSA-N 2 0 326.489 -0.750 20 30 EBEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000305195798 380866788 /nfs/dbraw/zinc/86/67/88/380866788.db2.gz LFRBYUPQMRRZKN-AWEZNQCLSA-N 2 0 338.456 -0.489 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000343761901 381009177 /nfs/dbraw/zinc/00/91/77/381009177.db2.gz IPGZPQMTRFRRMU-UHFFFAOYSA-N 2 0 326.441 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000734466808 582873115 /nfs/dbraw/zinc/87/31/15/582873115.db2.gz NGWJEYXVJHCIIH-SFHVURJKSA-N 2 0 348.491 -0.146 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000784388051 583485559 /nfs/dbraw/zinc/48/55/59/583485559.db2.gz FKZJVNAFMJJXHB-UHFFFAOYSA-N 2 0 335.412 -0.703 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000844195015 584091148 /nfs/dbraw/zinc/09/11/48/584091148.db2.gz PATUMPGERDBJBJ-LXTVHRRPSA-N 2 0 333.436 -0.453 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H]1C[NH+](C)C ZINC000867678193 584413916 /nfs/dbraw/zinc/41/39/16/584413916.db2.gz RWPHUPGLYNJVQK-RKVPGOIHSA-N 2 0 349.479 -0.054 20 30 EBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995592 584528062 /nfs/dbraw/zinc/52/80/62/584528062.db2.gz FUZJFOJZVFBNKX-LBPRGKRZSA-N 2 0 329.832 -0.374 20 30 EBEDRP C=C(CC[NH+](C)C)C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000907961407 650092125 /nfs/dbraw/zinc/09/21/25/650092125.db2.gz CAJLSDRCJPSZEH-UHFFFAOYSA-N 2 0 340.468 -0.257 20 30 EBEDRP C=C1[C@@H](C(=O)N(C)CC2C[NH+](C)C2)[C@@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000912453423 650205943 /nfs/dbraw/zinc/20/59/43/650205943.db2.gz HKJJTDQFWLJFTG-HZPDHXFCSA-N 2 0 334.464 -0.171 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC000962809681 723328505 /nfs/dbraw/zinc/32/85/05/723328505.db2.gz QPEARLDCIDZAFU-AVVWSFFYSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnnn3C)C2)CC1 ZINC000970792588 725328978 /nfs/dbraw/zinc/32/89/78/725328978.db2.gz OPGASSWFVPBIKC-OAHLLOKOSA-N 2 0 330.436 -0.149 20 30 EBEDRP CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999976325 726546186 /nfs/dbraw/zinc/54/61/86/726546186.db2.gz UBAZXXVDSSCSSB-HOTGVXAUSA-N 2 0 346.435 -0.505 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)CC1 ZINC001016984505 728535959 /nfs/dbraw/zinc/53/59/59/728535959.db2.gz CWHMFNPZEHJASX-OAHLLOKOSA-N 2 0 332.448 -0.212 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nncn3C)C2)CC1 ZINC001023128363 729614809 /nfs/dbraw/zinc/61/48/09/729614809.db2.gz AQYPQUKGUBYIGR-GASCZTMLSA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814017 730095211 /nfs/dbraw/zinc/09/52/11/730095211.db2.gz BNWAWBQYKDOXMG-BQJWPVKWSA-N 2 0 344.459 -0.249 20 30 EBEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384296 734167454 /nfs/dbraw/zinc/16/74/54/734167454.db2.gz RUTDCDCMXJQNMZ-HOTGVXAUSA-N 2 0 333.436 -0.415 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980220 740644747 /nfs/dbraw/zinc/64/47/47/740644747.db2.gz IUFFPYWARSITCC-CABCVRRESA-N 2 0 327.392 -0.152 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275505 740776350 /nfs/dbraw/zinc/77/63/50/740776350.db2.gz PQAOOYKUXIUIMT-CABCVRRESA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070304128 740781828 /nfs/dbraw/zinc/78/18/28/740781828.db2.gz LVGZHPYHHZAXFO-CVEARBPZSA-N 2 0 346.435 -0.636 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015310 742696338 /nfs/dbraw/zinc/69/63/38/742696338.db2.gz NMDFEYJDMDVHCP-TVFCKZIOSA-N 2 0 349.475 -0.082 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001078228639 743547916 /nfs/dbraw/zinc/54/79/16/743547916.db2.gz YSDJFMGLYRYBRW-KBAYOESNSA-N 2 0 349.475 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001216837651 810393939 /nfs/dbraw/zinc/39/39/39/810393939.db2.gz LJZORAPJVQHHLJ-GDBMZVCRSA-N 2 0 345.447 -0.592 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001216837327 810393954 /nfs/dbraw/zinc/39/39/54/810393954.db2.gz BJHAAOWXIZAXRX-DJIMGWMZSA-N 2 0 337.464 -0.225 20 30 EBEDRP N#Cc1cc(N)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1C#N ZINC001218987749 810550988 /nfs/dbraw/zinc/55/09/88/810550988.db2.gz QOKBAOGSMRQDSD-CQSZACIVSA-N 2 0 327.392 -0.299 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900774 811288284 /nfs/dbraw/zinc/28/82/84/811288284.db2.gz PPUATJBXPCSDDT-ZDUSSCGKSA-N 2 0 335.368 -0.907 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168172 811797461 /nfs/dbraw/zinc/79/74/61/811797461.db2.gz OTGSDTSCXYHWCF-INIZCTEOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)C1CC1 ZINC001226790501 811884403 /nfs/dbraw/zinc/88/44/03/811884403.db2.gz DFGTWOWWYPPTCK-FMKPAKJESA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001263880705 813132771 /nfs/dbraw/zinc/13/27/71/813132771.db2.gz XOFHKWMZWVMUDE-DZKIICNBSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001264080713 813147727 /nfs/dbraw/zinc/14/77/27/813147727.db2.gz UNAHMDMJWOXYNB-IAGOWNOFSA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@@H]2CCNC2=O)C2CC2)CC1 ZINC001265382225 813315638 /nfs/dbraw/zinc/31/56/38/813315638.db2.gz KPLZVXXUOKRBHB-HZPDHXFCSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266593321 813616489 /nfs/dbraw/zinc/61/64/89/813616489.db2.gz FBMKFWHBQHVUIQ-DTZQCDIJSA-N 2 0 332.448 -0.297 20 30 EBEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NCC#N ZINC001266645659 813631000 /nfs/dbraw/zinc/63/10/00/813631000.db2.gz FESVSPGFADBINI-DKUMPPAJSA-N 2 0 333.436 -0.168 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001266791299 813671813 /nfs/dbraw/zinc/67/18/13/813671813.db2.gz YAAABXWMLBMYFZ-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959683 813691781 /nfs/dbraw/zinc/69/17/81/813691781.db2.gz SHJSKAOJJBGOQP-DSZOFWSKSA-N 2 0 333.432 -0.312 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267494316 813916431 /nfs/dbraw/zinc/91/64/31/813916431.db2.gz RLQHREUYTAXQRR-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557280 813929451 /nfs/dbraw/zinc/92/94/51/813929451.db2.gz BJZCXAMNYRBIDK-CABCVRRESA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC001268100393 814124939 /nfs/dbraw/zinc/12/49/39/814124939.db2.gz WHPBRPUJBQSOBO-GOEBONIOSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268315304 814192259 /nfs/dbraw/zinc/19/22/59/814192259.db2.gz AIIVAXJGWZBJMP-ZIAGYGMSSA-N 2 0 338.452 -0.935 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148438 814553269 /nfs/dbraw/zinc/55/32/69/814553269.db2.gz CKSXEPQRGZKLNF-LSDHHAIUSA-N 2 0 335.452 -0.015 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269475981 814707080 /nfs/dbraw/zinc/70/70/80/814707080.db2.gz VZZVWJWTYTXOCL-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CCc2cncn2C)C1 ZINC001270839950 815911472 /nfs/dbraw/zinc/91/14/72/815911472.db2.gz MKDCAPVEBWQIHT-GOSISDBHSA-N 2 0 345.447 -0.070 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271518857 816132589 /nfs/dbraw/zinc/13/25/89/816132589.db2.gz IOEFGIFUITYOHA-LSDHHAIUSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCOC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274555369 817004773 /nfs/dbraw/zinc/00/47/73/817004773.db2.gz UUDKQBBCUIZDRS-JKSUJKDBSA-N 2 0 337.464 -0.223 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001274791418 817087603 /nfs/dbraw/zinc/08/76/03/817087603.db2.gz JDAMRPVATSIJNZ-KGLIPLIRSA-N 2 0 344.481 -0.930 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001276011133 817338223 /nfs/dbraw/zinc/33/82/23/817338223.db2.gz MADJNDGERNDWGI-GDBMZVCRSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001277094511 817519985 /nfs/dbraw/zinc/51/99/85/817519985.db2.gz XQMFGGCAUJMKGY-KBPBESRZSA-N 2 0 343.431 -0.178 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279007360 817900896 /nfs/dbraw/zinc/90/08/96/817900896.db2.gz YSLUKDZWHMDSLK-KGLIPLIRSA-N 2 0 335.452 -0.063 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001282627776 818469264 /nfs/dbraw/zinc/46/92/64/818469264.db2.gz XIMMUQJRVOXCEB-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283712808 818914187 /nfs/dbraw/zinc/91/41/87/818914187.db2.gz CSGNVRDZBNCQEW-OLZOCXBDSA-N 2 0 339.440 -0.614 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001101024999 820654328 /nfs/dbraw/zinc/65/43/28/820654328.db2.gz QDKPFHBRFWDHLW-BDVYOWHSSA-N 2 0 337.464 -0.177 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267564 820742614 /nfs/dbraw/zinc/74/26/14/820742614.db2.gz JWGFTCJAVWGVGQ-SUMDDJOVSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317079918 821997272 /nfs/dbraw/zinc/99/72/72/821997272.db2.gz UVZGZKFUSFVSCR-SHTZXODSSA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317294899 822071382 /nfs/dbraw/zinc/07/13/82/822071382.db2.gz APCVWKODLJJAQK-JKSUJKDBSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106249996 822238057 /nfs/dbraw/zinc/23/80/57/822238057.db2.gz VJRDIIRVSOPTBY-XNRPHZJLSA-N 2 0 335.452 -0.350 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321930 822246900 /nfs/dbraw/zinc/24/69/00/822246900.db2.gz HUNJHUWBTVESHK-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874438 822345772 /nfs/dbraw/zinc/34/57/72/822345772.db2.gz IGMBFHNQTCMCBS-BZUAXINKSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385069 828610012 /nfs/dbraw/zinc/61/00/12/828610012.db2.gz GKISMMZKPMDRAT-CABCVRRESA-N 2 0 334.424 -0.779 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129849960 828681153 /nfs/dbraw/zinc/68/11/53/828681153.db2.gz FRULZDYKGTYXMN-BBWFWOEESA-N 2 0 342.447 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947406 828698554 /nfs/dbraw/zinc/69/85/54/828698554.db2.gz YJPSEQZSOPAZOH-ZDUSSCGKSA-N 2 0 327.429 -0.710 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]2C)CC1 ZINC001180204462 833054988 /nfs/dbraw/zinc/05/49/88/833054988.db2.gz SXBNWPJZYHKTCO-UAGQMJEPSA-N 2 0 337.464 -0.082 20 30 EBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245432 826471054 /nfs/dbraw/zinc/47/10/54/826471054.db2.gz QQNQVBMMFFVKMC-MWDXBVQZSA-N 2 0 335.448 -0.349 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)CC)C[C@H]32)CC1 ZINC001115290496 826496396 /nfs/dbraw/zinc/49/63/96/826496396.db2.gz VBQPHRDAESSEBN-VQFNDLOPSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122064246 827514484 /nfs/dbraw/zinc/51/44/84/827514484.db2.gz WQLYTDIKQFZSQL-UHFFFAOYSA-N 2 0 344.459 -0.151 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817528 828946640 /nfs/dbraw/zinc/94/66/40/828946640.db2.gz RERCJUDXOJVJST-MELADBBJSA-N 2 0 346.435 -0.185 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131107879 829044967 /nfs/dbraw/zinc/04/49/67/829044967.db2.gz DZCPXDFYVHTZGB-HZPDHXFCSA-N 2 0 347.463 -0.094 20 30 EBEDRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001131799058 829224283 /nfs/dbraw/zinc/22/42/83/829224283.db2.gz GGNPNXFPVUOMDV-UHFFFAOYSA-N 2 0 331.420 -0.250 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284166 829406235 /nfs/dbraw/zinc/40/62/35/829406235.db2.gz ZBQCZVNXCUIMMI-UHFFFAOYSA-N 2 0 339.440 -0.422 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852143 829536248 /nfs/dbraw/zinc/53/62/48/829536248.db2.gz IKVMYUDHXBFOAJ-ZIAGYGMSSA-N 2 0 326.441 -0.508 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833972 829681386 /nfs/dbraw/zinc/68/13/86/829681386.db2.gz KWISKDULUSBGLW-STQMWFEESA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968167 829707936 /nfs/dbraw/zinc/70/79/36/829707936.db2.gz QBUGMCXIJHWPOQ-NEPJUHHUSA-N 2 0 327.429 -0.567 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC001146584491 830210647 /nfs/dbraw/zinc/21/06/47/830210647.db2.gz SQTYLHFWGRJDCV-ZIAGYGMSSA-N 2 0 347.467 -0.072 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147225698 830304609 /nfs/dbraw/zinc/30/46/09/830304609.db2.gz SWMBDGIXFLPSPH-CABCVRRESA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724231 830401057 /nfs/dbraw/zinc/40/10/57/830401057.db2.gz ICJBCLIYDTVBHG-HOCLYGCPSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748426 830535972 /nfs/dbraw/zinc/53/59/72/830535972.db2.gz SCOPMQCTRAFPAE-GJZGRUSLSA-N 2 0 332.448 -0.390 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#Cc2ccccc2)C1 ZINC001151048726 831015110 /nfs/dbraw/zinc/01/51/10/831015110.db2.gz DXBNKAFCHZUVGY-KRWDZBQOSA-N 2 0 342.443 -0.188 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073930 831022058 /nfs/dbraw/zinc/02/20/58/831022058.db2.gz SPTANQJNEAPSMR-RYUDHWBXSA-N 2 0 325.413 -0.956 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151160829 831036072 /nfs/dbraw/zinc/03/60/72/831036072.db2.gz ZKKMDEIMGBKJPY-KGLIPLIRSA-N 2 0 326.441 -0.649 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC001152330451 831152759 /nfs/dbraw/zinc/15/27/59/831152759.db2.gz NJPBWDHUKIWRAA-UHFFFAOYSA-N 2 0 348.369 -0.284 20 30 EBEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001160654840 831876755 /nfs/dbraw/zinc/87/67/55/831876755.db2.gz CWGGTFRRPMVRBG-VDNDLQMASA-N 2 0 328.416 -0.001 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161041826 831916132 /nfs/dbraw/zinc/91/61/32/831916132.db2.gz MPIRICKGJQZFKH-ZDUSSCGKSA-N 2 0 339.440 -0.422 20 30 EBEDRP N#Cc1c2c(cnc1NCCN(CC[NH3+])N(O)N=O)C[NH2+]CCC2 ZINC001161087679 831921820 /nfs/dbraw/zinc/92/18/20/831921820.db2.gz PGRZBXCYNRLHBE-UHFFFAOYSA-N 2 0 334.384 -0.051 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317160 832033982 /nfs/dbraw/zinc/03/39/82/832033982.db2.gz YFGXPWBZJZIYMZ-UHFFFAOYSA-N 2 0 340.387 -0.274 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556415 832197852 /nfs/dbraw/zinc/19/78/52/832197852.db2.gz WMSVLOBLIQJIQV-MRXNPFEDSA-N 2 0 346.475 -0.046 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004373 832246078 /nfs/dbraw/zinc/24/60/78/832246078.db2.gz NSGKIGCJTOHGRD-CQSZACIVSA-N 2 0 341.456 -0.320 20 30 EBEDRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166687012 832279814 /nfs/dbraw/zinc/27/98/14/832279814.db2.gz GUYOWMZAVLJJIM-INIZCTEOSA-N 2 0 341.431 -0.065 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167237215 832319153 /nfs/dbraw/zinc/31/91/53/832319153.db2.gz XHQGIEFWDPUYCT-HUUCEWRRSA-N 2 0 334.464 -0.190 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167736738 832369348 /nfs/dbraw/zinc/36/93/48/832369348.db2.gz IIRBNWNBESRHCR-CQSZACIVSA-N 2 0 335.452 -0.156 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541325 832467064 /nfs/dbraw/zinc/46/70/64/832467064.db2.gz JDKLOOZLRIGNNX-UHFFFAOYSA-N 2 0 326.441 -0.505 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001354470779 832490780 /nfs/dbraw/zinc/49/07/80/832490780.db2.gz IGPBDYGHAILZTL-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176096542 832657361 /nfs/dbraw/zinc/65/73/61/832657361.db2.gz UXZVVSZIFSGWRZ-QWHCGFSZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178715568 832903402 /nfs/dbraw/zinc/90/34/02/832903402.db2.gz DKQYRLVXYCHZID-CFVMTHIKSA-N 2 0 333.436 -0.453 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814746 832917290 /nfs/dbraw/zinc/91/72/90/832917290.db2.gz WIXRBBYUGMLFOA-ZNMIVQPWSA-N 2 0 340.443 -0.005 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001190318024 834255870 /nfs/dbraw/zinc/25/58/70/834255870.db2.gz MERBRTKDMADDIZ-OKZBNKHCSA-N 2 0 349.475 -0.128 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488508 834889795 /nfs/dbraw/zinc/88/97/95/834889795.db2.gz OFIDZXJVDKFDJS-GJZGRUSLSA-N 2 0 338.452 -0.765 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200839205 836042176 /nfs/dbraw/zinc/04/21/76/836042176.db2.gz CQSXLALCWSOGSB-HNNXBMFYSA-N 2 0 340.443 -0.004 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277871 836121924 /nfs/dbraw/zinc/12/19/24/836121924.db2.gz ZELOLTISVXZXGS-OAHLLOKOSA-N 2 0 338.452 -0.715 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732406 836469392 /nfs/dbraw/zinc/46/93/92/836469392.db2.gz YCCLITLMPQCZHS-ZIAGYGMSSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928915 836715333 /nfs/dbraw/zinc/71/53/33/836715333.db2.gz MZENMHIEINLSMP-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928918 836715587 /nfs/dbraw/zinc/71/55/87/836715587.db2.gz MZENMHIEINLSMP-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322947847 839303736 /nfs/dbraw/zinc/30/37/36/839303736.db2.gz ZHMRXYAIAHPMAM-HNNXBMFYSA-N 2 0 337.468 -0.885 20 30 EBEDRP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001327593685 840468691 /nfs/dbraw/zinc/46/86/91/840468691.db2.gz YZYNLWQIRCKUPR-WMZOPIPTSA-N 2 0 337.464 -0.079 20 30 EBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 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ZINC001265459759 813328323 /nfs/dbraw/zinc/32/83/23/813328323.db2.gz MFBGFUPSQJAFRL-INIZCTEOSA-N 2 0 332.448 -0.176 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626402 813626805 /nfs/dbraw/zinc/62/68/05/813626805.db2.gz IISOWOQINUKUGE-ZQDZILKHSA-N 2 0 333.436 -0.120 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001266985505 813720863 /nfs/dbraw/zinc/72/08/63/813720863.db2.gz KZYUBOQKGXSNTB-LBPRGKRZSA-N 2 0 337.424 -0.812 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001267070289 813751313 /nfs/dbraw/zinc/75/13/13/813751313.db2.gz KOOYEALFUYGHFS-MRXNPFEDSA-N 2 0 344.459 -0.481 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267494315 813916236 /nfs/dbraw/zinc/91/62/36/813916236.db2.gz RLQHREUYTAXQRR-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267589279 813944746 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MEOQJTOTDWBXDD-ZBFHGGJFSA-N 2 0 333.436 -0.367 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001276751573 817467045 /nfs/dbraw/zinc/46/70/45/817467045.db2.gz UCKPKUZFYOPECZ-TVFCKZIOSA-N 2 0 349.475 -0.367 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001278838051 817858275 /nfs/dbraw/zinc/85/82/75/817858275.db2.gz GHEMOQCTQRLVPI-HUUCEWRRSA-N 2 0 338.452 -0.981 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001278859619 817870256 /nfs/dbraw/zinc/87/02/56/817870256.db2.gz FJPYPRBOTPXQHU-HNNXBMFYSA-N 2 0 325.453 -0.128 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882609 817882356 /nfs/dbraw/zinc/88/23/56/817882356.db2.gz KOWQKOIYLDNEPQ-HOTGVXAUSA-N 2 0 325.453 -0.271 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882608 817883030 /nfs/dbraw/zinc/88/30/30/817883030.db2.gz KOWQKOIYLDNEPQ-CVEARBPZSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279801273 817988034 /nfs/dbraw/zinc/98/80/34/817988034.db2.gz VGZHAQULTGJJFD-GJZGRUSLSA-N 2 0 338.452 -0.981 20 30 EBEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001281193164 818071761 /nfs/dbraw/zinc/07/17/61/818071761.db2.gz RCYLKPWHHLJJND-SJLPKXTDSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001284501884 819258841 /nfs/dbraw/zinc/25/88/41/819258841.db2.gz JXASOXPRGPMXHH-OAHLLOKOSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCOC)C[C@H]2O)CC1 ZINC001100121624 820251065 /nfs/dbraw/zinc/25/10/65/820251065.db2.gz DOELDXBAQFDHFH-DLBZAZTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100418854 820414070 /nfs/dbraw/zinc/41/40/70/820414070.db2.gz JRUWWJVPEQUTBZ-NRXISQOPSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001100875900 820586706 /nfs/dbraw/zinc/58/67/06/820586706.db2.gz ANHCGQGWNNCAGY-UHFFFAOYSA-N 2 0 343.431 -0.005 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363872 820768863 /nfs/dbraw/zinc/76/88/63/820768863.db2.gz DAGSXZIUSCXQBT-MDZRGWNJSA-N 2 0 346.475 -0.142 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047946 821010008 /nfs/dbraw/zinc/01/00/08/821010008.db2.gz ZIKRLHJSOBDFRO-XPKDYRNWSA-N 2 0 335.452 -0.350 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317213581 822038546 /nfs/dbraw/zinc/03/85/46/822038546.db2.gz DUBDPAHEEQTBQQ-NBFUAULTSA-N 2 0 332.448 -0.488 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001317310621 822079046 /nfs/dbraw/zinc/07/90/46/822079046.db2.gz UPVXLUUZFZOPAZ-ZDUSSCGKSA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@@H](O)COC)C2)CC1 ZINC001317346245 822089539 /nfs/dbraw/zinc/08/95/39/822089539.db2.gz RBQKJXFRVDZAJA-NVXWUHKLSA-N 2 0 337.464 -0.223 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001317840794 822222961 /nfs/dbraw/zinc/22/29/61/822222961.db2.gz VFYPCYKDURXVLD-AWEZNQCLSA-N 2 0 335.452 -0.109 20 30 EBEDRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106591509 822292665 /nfs/dbraw/zinc/29/26/65/822292665.db2.gz DATIJUSPDWQBIA-ZIAGYGMSSA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621422 822301297 /nfs/dbraw/zinc/30/12/97/822301297.db2.gz KBKXPVHURLBDEH-GDBMZVCRSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001318445375 822316386 /nfs/dbraw/zinc/31/63/86/822316386.db2.gz MDYJOHFUEZIWSN-KRWDZBQOSA-N 2 0 337.464 -0.127 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878674 822346560 /nfs/dbraw/zinc/34/65/60/822346560.db2.gz WVYCZXHRDGPUTG-HUUCEWRRSA-N 2 0 340.468 -0.449 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984641 823713631 /nfs/dbraw/zinc/71/36/31/823713631.db2.gz XCBGVHVRIHYHCG-OWCLPIDISA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130298152 828777408 /nfs/dbraw/zinc/77/74/08/828777408.db2.gz XDSHJEKLKHZPQC-LBPRGKRZSA-N 2 0 325.413 -0.812 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929338 833027498 /nfs/dbraw/zinc/02/74/98/833027498.db2.gz JSRIQZOZOSVSIF-ILXRZTDVSA-N 2 0 332.448 -0.201 20 30 EBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114590690 826293875 /nfs/dbraw/zinc/29/38/75/826293875.db2.gz XACUKROEDIPISJ-ITBUKVITSA-N 2 0 345.443 -0.454 20 30 EBEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001183241038 833284656 /nfs/dbraw/zinc/28/46/56/833284656.db2.gz ZTTRHTCJQHINNG-HUUCEWRRSA-N 2 0 335.452 -0.205 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525840 829153924 /nfs/dbraw/zinc/15/39/24/829153924.db2.gz NAUNTURLFKUFPE-ZBUZPQQSSA-N 2 0 336.436 -0.754 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133338584 829624374 /nfs/dbraw/zinc/62/43/74/829624374.db2.gz WNXHIGMJSJYYND-HOCLYGCPSA-N 2 0 334.464 -0.109 20 30 EBEDRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133850092 829687085 /nfs/dbraw/zinc/68/70/85/829687085.db2.gz IWRGAOYVZLMGTM-OAHLLOKOSA-N 2 0 327.404 -0.456 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001211234403 837413191 /nfs/dbraw/zinc/41/31/91/837413191.db2.gz ZVHONSMJYANOMN-MRXNPFEDSA-N 2 0 345.447 -0.448 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135922868 830046744 /nfs/dbraw/zinc/04/67/44/830046744.db2.gz CHTBHEXYBCZJBH-ZIAGYGMSSA-N 2 0 326.441 -0.813 20 30 EBEDRP CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CCc1cncn1C ZINC001156677533 831490009 /nfs/dbraw/zinc/49/00/09/831490009.db2.gz XXPNPLDSEXUYSD-CYBMUJFWSA-N 2 0 334.424 -0.181 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576259 831667100 /nfs/dbraw/zinc/66/71/00/831667100.db2.gz AXWBTLIRGHCUMB-KKOKHZNYSA-N 2 0 349.428 -0.772 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155408 831712986 /nfs/dbraw/zinc/71/29/86/831712986.db2.gz OTMPUQXFBMFULJ-KBPBESRZSA-N 2 0 328.432 -0.100 20 30 EBEDRP N#Cc1nccnc1N1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160637735 831872904 /nfs/dbraw/zinc/87/29/04/831872904.db2.gz SHPDAQSKDNSNKL-ZDUSSCGKSA-N 2 0 331.424 -0.157 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198003 831937292 /nfs/dbraw/zinc/93/72/92/831937292.db2.gz JBANBXUNRSGNQL-SFHVURJKSA-N 2 0 336.480 -0.113 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161251532 831941683 /nfs/dbraw/zinc/94/16/83/831941683.db2.gz ROHYNQMVUROUJW-UHFFFAOYSA-N 2 0 341.456 -0.176 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872164 832068518 /nfs/dbraw/zinc/06/85/18/832068518.db2.gz IOBMTXTXBCCBQC-GBRKPNRJSA-N 2 0 348.447 -0.917 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164535807 832194719 /nfs/dbraw/zinc/19/47/19/832194719.db2.gz GNDSJQYMBVJWKT-CABCVRRESA-N 2 0 340.468 -0.118 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168763682 832435947 /nfs/dbraw/zinc/43/59/47/832435947.db2.gz RNFSVCZTELKLTB-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170233435 832493726 /nfs/dbraw/zinc/49/37/26/832493726.db2.gz OHHKPPLFGXTMIT-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161794 832660134 /nfs/dbraw/zinc/66/01/34/832660134.db2.gz RSIPXHQRSQYPQA-CABCVRRESA-N 2 0 340.468 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C2)CC1 ZINC001188092687 834000996 /nfs/dbraw/zinc/00/09/96/834000996.db2.gz WBWDZKJEPZOTOP-GDBMZVCRSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200115517 835910478 /nfs/dbraw/zinc/91/04/78/835910478.db2.gz NAPJNEKIRRPVDV-HUUCEWRRSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201410956 836141980 /nfs/dbraw/zinc/14/19/80/836141980.db2.gz LRHJDMSFQOQGJM-GJZGRUSLSA-N 2 0 338.452 -0.717 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732404 836469418 /nfs/dbraw/zinc/46/94/18/836469418.db2.gz YCCLITLMPQCZHS-KGLIPLIRSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206125905 836624596 /nfs/dbraw/zinc/62/45/96/836624596.db2.gz LNUDYXWQRFUYDE-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281350 836635810 /nfs/dbraw/zinc/63/58/10/836635810.db2.gz JPNSLJVRGIKXTB-HIFRSBDPSA-N 2 0 335.452 -0.348 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875134 836687899 /nfs/dbraw/zinc/68/78/99/836687899.db2.gz XDQMLJJOUZRCEI-UHFFFAOYSA-N 2 0 333.436 -0.450 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208056131 836937130 /nfs/dbraw/zinc/93/71/30/836937130.db2.gz KLMKAVAJRQJDSJ-GJZGRUSLSA-N 2 0 333.436 -0.451 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001208073142 836940897 /nfs/dbraw/zinc/94/08/97/836940897.db2.gz DCUXTNBULXDQNU-SOUVJXGZSA-N 2 0 335.452 -0.063 20 30 EBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001331802909 841503733 /nfs/dbraw/zinc/50/37/33/841503733.db2.gz FLEHVZNUMBXVSR-HZPDHXFCSA-N 2 0 325.453 -0.034 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001331842906 841518677 /nfs/dbraw/zinc/51/86/77/841518677.db2.gz RPINAXWCSBFPKY-IAGOWNOFSA-N 2 0 337.464 -0.033 20 30 EBEDRP C=C1[C@H](C(=O)NCC[NH+]2CC=CC2)[C@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001332392568 841633691 /nfs/dbraw/zinc/63/36/91/841633691.db2.gz GQWNBBFOGPQZOH-HOTGVXAUSA-N 2 0 330.432 -0.235 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)OC)CC1 ZINC001332605991 841687991 /nfs/dbraw/zinc/68/79/91/841687991.db2.gz MKROBBUWRGKDGZ-ZBFHGGJFSA-N 2 0 325.453 -0.225 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001691263486 1125846426 /nfs/dbraw/zinc/84/64/26/1125846426.db2.gz TVGLOHGMQSYSMC-RRFJBIMHSA-N 2 0 335.452 -0.158 20 30 EBEDRP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481109297 1125923616 /nfs/dbraw/zinc/92/36/16/1125923616.db2.gz PBVRZJGGLPKGJF-CYBMUJFWSA-N 2 0 339.440 -0.612 20 30 EBEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001481124333 1125927381 /nfs/dbraw/zinc/92/73/81/1125927381.db2.gz OTKAGOURNKBALX-HUUCEWRRSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482696925 1126253428 /nfs/dbraw/zinc/25/34/28/1126253428.db2.gz YBFVJBTZALGEKQ-LSDHHAIUSA-N 2 0 332.448 -0.294 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001482797529 1126293886 /nfs/dbraw/zinc/29/38/86/1126293886.db2.gz ATHQELKQLSASGQ-RDJZCZTQSA-N 2 0 337.464 -0.175 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001483083827 1126330611 /nfs/dbraw/zinc/33/06/11/1126330611.db2.gz QVNRFDGPAAGZKB-ARJAWSKDSA-N 2 0 349.435 -0.644 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](O)COC)CCC2)CC1 ZINC001484663380 1126614984 /nfs/dbraw/zinc/61/49/84/1126614984.db2.gz RUMVYGBCNWZYCH-INIZCTEOSA-N 2 0 337.464 -0.033 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484963140 1126656823 /nfs/dbraw/zinc/65/68/23/1126656823.db2.gz MKYSXEHQSVMARP-AWEZNQCLSA-N 2 0 338.452 -0.981 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491049648 1130307750 /nfs/dbraw/zinc/30/77/50/1130307750.db2.gz BWMHKSOWYPBVCR-UPJWGTAASA-N 2 0 339.440 -0.425 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000642795940 376198498 /nfs/dbraw/zinc/19/84/98/376198498.db2.gz QANPTABUNJHHOE-HNNXBMFYSA-N 2 0 337.468 -0.756 20 30 EBEDRP C[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000591419435 377714825 /nfs/dbraw/zinc/71/48/25/377714825.db2.gz YCFQUGLPOUYCOX-ZDUSSCGKSA-N 2 0 331.420 -0.088 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000852879433 584218558 /nfs/dbraw/zinc/21/85/58/584218558.db2.gz WWPOAFMUNJBENR-ZDUSSCGKSA-N 2 0 332.370 -0.058 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304188 584461583 /nfs/dbraw/zinc/46/15/83/584461583.db2.gz KBONCFUFVRFNKT-ZNMIVQPWSA-N 2 0 332.404 -0.617 20 30 EBEDRP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261723713 649984765 /nfs/dbraw/zinc/98/47/65/649984765.db2.gz KYNWQHWZRVIGEB-UHFFFAOYSA-N 2 0 335.456 -0.016 20 30 EBEDRP CN(C)C(=O)CNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C1CCCC1 ZINC000262268869 649986856 /nfs/dbraw/zinc/98/68/56/649986856.db2.gz GLHSPZCOIWNKNX-HNNXBMFYSA-N 2 0 336.484 -0.448 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000941694230 652885837 /nfs/dbraw/zinc/88/58/37/652885837.db2.gz JRHSHFZFHHIPLX-CVEARBPZSA-N 2 0 344.459 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC000993854727 725954341 /nfs/dbraw/zinc/95/43/41/725954341.db2.gz HSINMRNLLJUFMT-QGZVFWFLSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001000993105 726586319 /nfs/dbraw/zinc/58/63/19/726586319.db2.gz QRFZZYOIRWFRFU-CVEARBPZSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001023128318 729614625 /nfs/dbraw/zinc/61/46/25/729614625.db2.gz ZDLJWQCUCHSVDN-QLFBSQMISA-N 2 0 346.431 -0.626 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NC)C2)CC1 ZINC001023761678 729794156 /nfs/dbraw/zinc/79/41/56/729794156.db2.gz GPSJAHPKLAOAAJ-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCNC2=O)CC1 ZINC001029596296 730412502 /nfs/dbraw/zinc/41/25/02/730412502.db2.gz ITGMGHQYDZOKMF-BBWFWOEESA-N 2 0 344.459 -0.105 20 30 EBEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055602138 736401959 /nfs/dbraw/zinc/40/19/59/736401959.db2.gz QXERDUGRSXFNJU-CQSZACIVSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930651 740623014 /nfs/dbraw/zinc/62/30/14/740623014.db2.gz WHWNDDNJOQZJIV-FPCVCCKLSA-N 2 0 330.436 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H](C)O)CCCO2)CC1 ZINC001073899556 741780962 /nfs/dbraw/zinc/78/09/62/741780962.db2.gz WVZJROSPDYIQJH-DOTOQJQBSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)CC1 ZINC001073898771 741781132 /nfs/dbraw/zinc/78/11/32/741781132.db2.gz BNDQEQAHKGITRA-QGZVFWFLSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC000979084284 805126784 /nfs/dbraw/zinc/12/67/84/805126784.db2.gz DMWLIQZFOMOHJZ-MIGQKNRLSA-N 2 0 332.448 -0.501 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396802 810325993 /nfs/dbraw/zinc/32/59/93/810325993.db2.gz CRQSRIWYGUZMJD-FXUDXRNXSA-N 2 0 334.464 -0.097 20 30 EBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218637969 810513871 /nfs/dbraw/zinc/51/38/71/810513871.db2.gz UJOKAMLRCVTQQU-JTQLQIEISA-N 2 0 330.377 -0.570 20 30 EBEDRP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219162129 810602201 /nfs/dbraw/zinc/60/22/01/810602201.db2.gz VJWONYGZSWPBOX-CYBMUJFWSA-N 2 0 327.388 -0.026 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764934 810831284 /nfs/dbraw/zinc/83/12/84/810831284.db2.gz POOZRQRICBHUHZ-COXVUDFISA-N 2 0 327.432 -0.162 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546131 811764564 /nfs/dbraw/zinc/76/45/64/811764564.db2.gz INZMJFYKJZYKTN-ZBFHGGJFSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001229691771 812048623 /nfs/dbraw/zinc/04/86/23/812048623.db2.gz AIENTRVTXYYWBX-RRFJBIMHSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001264080928 813149260 /nfs/dbraw/zinc/14/92/60/813149260.db2.gz ZVFJXAZLCVTXGV-QGZVFWFLSA-N 2 0 347.463 -0.023 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264391299 813170197 /nfs/dbraw/zinc/17/01/97/813170197.db2.gz RYGXZJXNZMRPIZ-QLFBSQMISA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)CC1 ZINC001264411798 813172791 /nfs/dbraw/zinc/17/27/91/813172791.db2.gz QDKPFHBRFWDHLW-UAGQMJEPSA-N 2 0 337.464 -0.177 20 30 EBEDRP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264566608 813181856 /nfs/dbraw/zinc/18/18/56/813181856.db2.gz AIVXQMUDVXOSCC-KFWWJZLASA-N 2 0 335.452 -0.205 20 30 EBEDRP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C2CC2)CC1 ZINC001265374401 813313442 /nfs/dbraw/zinc/31/34/42/813313442.db2.gz LSDRVGZTEDHRAS-OAHLLOKOSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]C[C@H](O)COC)C2)CC1 ZINC001266041244 813444622 /nfs/dbraw/zinc/44/46/22/813444622.db2.gz RBQKJXFRVDZAJA-WBVHZDCISA-N 2 0 337.464 -0.223 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266067139 813449426 /nfs/dbraw/zinc/44/94/26/813449426.db2.gz IZJMSJMGGNKKNF-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266549883 813606547 /nfs/dbraw/zinc/60/65/47/813606547.db2.gz MAEZYYSADNVZMZ-STQMWFEESA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001267309688 813840341 /nfs/dbraw/zinc/84/03/41/813840341.db2.gz NTVXLYXSMYJBFM-MRXNPFEDSA-N 2 0 337.464 -0.221 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557281 813930376 /nfs/dbraw/zinc/93/03/76/813930376.db2.gz BJZCXAMNYRBIDK-GJZGRUSLSA-N 2 0 335.452 -0.061 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267934766 814072054 /nfs/dbraw/zinc/07/20/54/814072054.db2.gz ZEOQPVAKWGWDFK-HDJSIYSDSA-N 2 0 333.436 -0.261 20 30 EBEDRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269114 814168582 /nfs/dbraw/zinc/16/85/82/814168582.db2.gz SYBKJZKKACYDGY-CABCVRRESA-N 2 0 335.452 -0.109 20 30 EBEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269127 814168930 /nfs/dbraw/zinc/16/89/30/814168930.db2.gz SYBKJZKKACYDGY-LSDHHAIUSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001268333363 814212492 /nfs/dbraw/zinc/21/24/92/814212492.db2.gz DDVFMCJQUNURSG-RDJZCZTQSA-N 2 0 337.464 -0.175 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268700468 814357505 /nfs/dbraw/zinc/35/75/05/814357505.db2.gz JKBDDMGXFAECEE-LBPRGKRZSA-N 2 0 339.440 -0.566 20 30 EBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001269475979 814707424 /nfs/dbraw/zinc/70/74/24/814707424.db2.gz VZZVWJWTYTXOCL-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001269549287 814722802 /nfs/dbraw/zinc/72/28/02/814722802.db2.gz JUWXKSZGJKPYAR-OAHLLOKOSA-N 2 0 347.463 -0.013 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644446 814755193 /nfs/dbraw/zinc/75/51/93/814755193.db2.gz FUZVERWYEALIMZ-SUMWQHHRSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001270602150 815825153 /nfs/dbraw/zinc/82/51/53/815825153.db2.gz CLXUOPOPLFTDHC-GDBMZVCRSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001270602761 815825626 /nfs/dbraw/zinc/82/56/26/815825626.db2.gz HUSDSHVCRVVOPV-KGLIPLIRSA-N 2 0 347.467 -0.042 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@@H]2O)CC1 ZINC001084090245 815827303 /nfs/dbraw/zinc/82/73/03/815827303.db2.gz QSDDMKKHLORASA-ZACQAIPSSA-N 2 0 337.464 -0.082 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C[C@@H](O)COC)C2)CC1 ZINC001270658825 815846053 /nfs/dbraw/zinc/84/60/53/815846053.db2.gz QIAVPPRMWMWORV-SJLPKXTDSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001271217019 816039084 /nfs/dbraw/zinc/03/90/84/816039084.db2.gz RNHLJXZGWAKPOH-ZBFHGGJFSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271518852 816132369 /nfs/dbraw/zinc/13/23/69/816132369.db2.gz IOEFGIFUITYOHA-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001271629090 816169355 /nfs/dbraw/zinc/16/93/55/816169355.db2.gz LZLKDBNQQNUUMD-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CCC1 ZINC001272272939 816379234 /nfs/dbraw/zinc/37/92/34/816379234.db2.gz VSAXXUKYESNNFV-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176333 816600340 /nfs/dbraw/zinc/60/03/40/816600340.db2.gz SPBPOEJOOXWJRZ-QWHCGFSZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccnn2C)CC1 ZINC001278839070 817859472 /nfs/dbraw/zinc/85/94/72/817859472.db2.gz NPJAAJLSPQXWMC-KRWDZBQOSA-N 2 0 347.463 -0.326 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001279256131 817913869 /nfs/dbraw/zinc/91/38/69/817913869.db2.gz KDLFIYXWDRPRHL-UHFFFAOYSA-N 2 0 332.448 -0.057 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001281449867 818185168 /nfs/dbraw/zinc/18/51/68/818185168.db2.gz FKFSMCITFVLBDA-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001282497390 818441408 /nfs/dbraw/zinc/44/14/08/818441408.db2.gz NOTQEJGQQRVVDP-GOEBONIOSA-N 2 0 334.464 -0.001 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CC(=O)NCC#N)CC2)CC1 ZINC001283324739 818759579 /nfs/dbraw/zinc/75/95/79/818759579.db2.gz CUZAISOGNJAMCP-UHFFFAOYSA-N 2 0 335.452 -0.109 20 30 EBEDRP COCC#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467494 819203931 /nfs/dbraw/zinc/20/39/31/819203931.db2.gz GMFRIQGNWGGSCJ-UHFFFAOYSA-N 2 0 325.453 -0.127 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529728 819477684 /nfs/dbraw/zinc/47/76/84/819477684.db2.gz VJFUWXBACZAAPP-NXOAAHMSSA-N 2 0 346.475 -0.144 20 30 EBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892628 819846157 /nfs/dbraw/zinc/84/61/57/819846157.db2.gz MNNIHPMTDCCLDJ-HZPDHXFCSA-N 2 0 337.464 -0.081 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100377888 820385863 /nfs/dbraw/zinc/38/58/63/820385863.db2.gz ODHTVYMWCNRYJG-RUXDESIVSA-N 2 0 341.431 -0.210 20 30 EBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100867382 820584018 /nfs/dbraw/zinc/58/40/18/820584018.db2.gz SJLXBWOEXFVHKR-UHFFFAOYSA-N 2 0 326.441 -0.649 20 30 EBEDRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001102337564 821072242 /nfs/dbraw/zinc/07/22/42/821072242.db2.gz IRGHYDUYLWIJHH-IIAWOOMASA-N 2 0 337.468 -0.104 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102515090 821137104 /nfs/dbraw/zinc/13/71/04/821137104.db2.gz CMIDRAFMBIYZSS-ZIAGYGMSSA-N 2 0 333.436 -0.594 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579410 821160868 /nfs/dbraw/zinc/16/08/68/821160868.db2.gz WFIKGZKDNDFVFV-OWCLPIDISA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718680 821345546 /nfs/dbraw/zinc/34/55/46/821345546.db2.gz ASEWPOZTGFNWFO-RBSFLKMASA-N 2 0 335.452 -0.348 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104000172 821385657 /nfs/dbraw/zinc/38/56/57/821385657.db2.gz XWDPACUPTFKGLY-KFWWJZLASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999811 821385687 /nfs/dbraw/zinc/38/56/87/821385687.db2.gz LLBKGSDUBXGVRX-OAGGEKHMSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316621966 821818775 /nfs/dbraw/zinc/81/87/75/821818775.db2.gz VKRLVOCUDDJVQM-KFWWJZLASA-N 2 0 334.464 -0.050 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317287363 822064406 /nfs/dbraw/zinc/06/44/06/822064406.db2.gz AVVLYFAWCKJPFO-RYUDHWBXSA-N 2 0 325.413 -0.956 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001317294447 822070162 /nfs/dbraw/zinc/07/01/62/822070162.db2.gz LWNHVQKHSUCKCW-AWEZNQCLSA-N 2 0 348.447 -0.425 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@@H](O)COC)C2)CC1 ZINC001317346244 822089733 /nfs/dbraw/zinc/08/97/33/822089733.db2.gz RBQKJXFRVDZAJA-DOTOQJQBSA-N 2 0 337.464 -0.223 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249429 822238096 /nfs/dbraw/zinc/23/80/96/822238096.db2.gz HDZFQVMMIFWWBZ-UNEWFSDZSA-N 2 0 334.464 -0.240 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106322388 822246766 /nfs/dbraw/zinc/24/67/66/822246766.db2.gz NCXAIGDVTLRNIT-KFWWJZLASA-N 2 0 335.452 -0.205 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362580 828604351 /nfs/dbraw/zinc/60/43/51/828604351.db2.gz AGWLLSXKWSSNDH-OAHLLOKOSA-N 2 0 338.452 -0.362 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535712 828632182 /nfs/dbraw/zinc/63/21/82/828632182.db2.gz ZDVKPJBBESDPFQ-LBPRGKRZSA-N 2 0 339.440 -0.423 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858087 828682476 /nfs/dbraw/zinc/68/24/76/828682476.db2.gz OTSFLNJRZRPURJ-FPCVCCKLSA-N 2 0 330.436 -0.017 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200924 828754347 /nfs/dbraw/zinc/75/43/47/828754347.db2.gz QBUGMCXIJHWPOQ-NWDGAFQWSA-N 2 0 327.429 -0.567 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421948 828827349 /nfs/dbraw/zinc/82/73/49/828827349.db2.gz QKZMTHKWQQTOJV-GFCCVEGCSA-N 2 0 341.456 -0.177 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114483823 826262794 /nfs/dbraw/zinc/26/27/94/826262794.db2.gz NCKISRVXSSZIAX-BYNSBNAKSA-N 2 0 334.464 -0.099 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060447 833038805 /nfs/dbraw/zinc/03/88/05/833038805.db2.gz BZWMCXTYHVGPQA-UHFFFAOYSA-N 2 0 340.468 -0.420 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144264 826433106 /nfs/dbraw/zinc/43/31/06/826433106.db2.gz UKCCFYUXZWVDQS-AIANPOQGSA-N 2 0 334.464 -0.097 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121772885 827446858 /nfs/dbraw/zinc/44/68/58/827446858.db2.gz JTRJFSBMYWXSMU-VICYEXPPSA-N 2 0 346.475 -0.050 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122064289 827514525 /nfs/dbraw/zinc/51/45/25/827514525.db2.gz XQCGMCOVFNRFPM-UHFFFAOYSA-N 2 0 345.447 -0.261 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182973678 833271748 /nfs/dbraw/zinc/27/17/48/833271748.db2.gz QXJDVQJCHMERKB-KGLIPLIRSA-N 2 0 326.416 -0.394 20 30 EBEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001183241039 833284565 /nfs/dbraw/zinc/28/45/65/833284565.db2.gz ZTTRHTCJQHINNG-LSDHHAIUSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001183399220 833289140 /nfs/dbraw/zinc/28/91/40/833289140.db2.gz PAFSFFWHZNVBRZ-RHSMWYFYSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660262 828312889 /nfs/dbraw/zinc/31/28/89/828312889.db2.gz SZJJHGFSUKXRPI-YNEHKIRRSA-N 2 0 339.440 -0.567 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196455 829069815 /nfs/dbraw/zinc/06/98/15/829069815.db2.gz GOSMDQFBYGUSDZ-CYBMUJFWSA-N 2 0 340.387 -0.275 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407820 833357912 /nfs/dbraw/zinc/35/79/12/833357912.db2.gz DKUXTBDDMDERCS-GFCCVEGCSA-N 2 0 325.413 -0.860 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680941 833366879 /nfs/dbraw/zinc/36/68/79/833366879.db2.gz HNOFGYLCKRICCM-HOTGVXAUSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434005 829631698 /nfs/dbraw/zinc/63/16/98/829631698.db2.gz HEPQRWZBEHEMFG-CHWSQXEVSA-N 2 0 341.456 -0.321 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833895 829680971 /nfs/dbraw/zinc/68/09/71/829680971.db2.gz IXAHUROHZQBTBJ-LBPRGKRZSA-N 2 0 325.413 -0.812 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850598 829686469 /nfs/dbraw/zinc/68/64/69/829686469.db2.gz NWPPWDOKGYLLFY-CHWSQXEVSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001211233899 837412939 /nfs/dbraw/zinc/41/29/39/837412939.db2.gz RHNDIQNGURPVMR-QGZVFWFLSA-N 2 0 344.459 -0.338 20 30 EBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)COCC[NH+](C)C ZINC001135923103 830046602 /nfs/dbraw/zinc/04/66/02/830046602.db2.gz GWKMWFWJEICAMH-QWHCGFSZSA-N 2 0 327.429 -0.923 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924417 830047831 /nfs/dbraw/zinc/04/78/31/830047831.db2.gz SCZSVBGJTONXTL-KBPBESRZSA-N 2 0 328.457 -0.260 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963266 830053530 /nfs/dbraw/zinc/05/35/30/830053530.db2.gz DDQAYOFCBWNAEC-CYBMUJFWSA-N 2 0 326.441 -0.506 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146581538 830208903 /nfs/dbraw/zinc/20/89/03/830208903.db2.gz CRVJHLIDVPVLHT-HOTGVXAUSA-N 2 0 346.475 -0.046 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147409846 830337420 /nfs/dbraw/zinc/33/74/20/830337420.db2.gz JNOFFNJAEKLXEG-GOSISDBHSA-N 2 0 330.432 -0.081 20 30 EBEDRP C[N@H+](CC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2)C1CCC1 ZINC001147723466 830401702 /nfs/dbraw/zinc/40/17/02/830401702.db2.gz BIZUBQSEPWMROD-UHFFFAOYSA-N 2 0 333.436 -0.355 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900507 830428205 /nfs/dbraw/zinc/42/82/05/830428205.db2.gz OXHANMCSOWIRQU-STQMWFEESA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001152324729 831152112 /nfs/dbraw/zinc/15/21/12/831152112.db2.gz ZJGFMBCVUSFPDY-AWEZNQCLSA-N 2 0 341.477 -0.528 20 30 EBEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158101061 831628041 /nfs/dbraw/zinc/62/80/41/831628041.db2.gz GTCSJKATGZXSPX-RHSMWYFYSA-N 2 0 327.388 -0.361 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001158384651 831649960 /nfs/dbraw/zinc/64/99/60/831649960.db2.gz XQCLPHQFYUKAJI-BFHYXJOUSA-N 2 0 347.337 -0.119 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854684 831788736 /nfs/dbraw/zinc/78/87/36/831788736.db2.gz QOYZNYKKNQCCGO-UHFFFAOYSA-N 2 0 339.440 -0.422 20 30 EBEDRP C[C@@H](COCC(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001166930979 832300214 /nfs/dbraw/zinc/30/02/14/832300214.db2.gz ODKZKRNMPUJSQO-AWEZNQCLSA-N 2 0 339.440 -0.777 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167733048 832368053 /nfs/dbraw/zinc/36/80/53/832368053.db2.gz SSKKBEHTAHRQDJ-OAHLLOKOSA-N 2 0 334.464 -0.046 20 30 EBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756797 832523490 /nfs/dbraw/zinc/52/34/90/832523490.db2.gz QRWLHOAAXBABCY-UHFFFAOYSA-N 2 0 335.452 -0.156 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488060 834887914 /nfs/dbraw/zinc/88/79/14/834887914.db2.gz LMIORPVXZMWSEX-HUUCEWRRSA-N 2 0 340.468 -0.212 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@H](O)COC)C2)CC1 ZINC001194247328 835058845 /nfs/dbraw/zinc/05/88/45/835058845.db2.gz WPHNZEUKNIGOMY-SJORKVTESA-N 2 0 337.464 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NC)C2)CC1 ZINC001194246334 835058880 /nfs/dbraw/zinc/05/88/80/835058880.db2.gz LEKYBISKQNUYNE-HOCLYGCPSA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201317267 836128341 /nfs/dbraw/zinc/12/83/41/836128341.db2.gz HIDMPBCEVYTJFH-HUUCEWRRSA-N 2 0 340.468 -0.164 20 30 EBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862598 836207649 /nfs/dbraw/zinc/20/76/49/836207649.db2.gz GEHPUXXOUFVNQL-INIZCTEOSA-N 2 0 341.452 -0.579 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001202140621 836261257 /nfs/dbraw/zinc/26/12/57/836261257.db2.gz CDXATYINLXOXEG-HNNXBMFYSA-N 2 0 336.436 -0.976 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612849 836453043 /nfs/dbraw/zinc/45/30/43/836453043.db2.gz ADKFUWAFTTZPNH-UONOGXRCSA-N 2 0 345.447 -0.261 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001206061241 836619478 /nfs/dbraw/zinc/61/94/78/836619478.db2.gz GCIUSAAAFMQMAR-UHFFFAOYSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281119 836635605 /nfs/dbraw/zinc/63/56/05/836635605.db2.gz BHXXLYOHNZIFBR-ZBFHGGJFSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928916 836716047 /nfs/dbraw/zinc/71/60/47/836716047.db2.gz MZENMHIEINLSMP-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001208073141 836940368 /nfs/dbraw/zinc/94/03/68/836940368.db2.gz DCUXTNBULXDQNU-QLFBSQMISA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210667578 837317336 /nfs/dbraw/zinc/31/73/36/837317336.db2.gz HAPILHRYOHGJSZ-LSDHHAIUSA-N 2 0 340.468 -0.164 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437929 839866111 /nfs/dbraw/zinc/86/61/11/839866111.db2.gz MRWBOLBMHQQLJN-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 ZINC001326578992 840138754 /nfs/dbraw/zinc/13/87/54/840138754.db2.gz GRGPNMCAGHFMTR-INIZCTEOSA-N 2 0 335.448 -0.109 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001326603265 840148138 /nfs/dbraw/zinc/14/81/38/840148138.db2.gz JFMPMZRXBDYIOY-UHFFFAOYSA-N 2 0 332.448 -0.244 20 30 EBEDRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001327925866 840550147 /nfs/dbraw/zinc/55/01/47/840550147.db2.gz PNGPKCJTMDNQBC-LSDHHAIUSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001332115432 841576319 /nfs/dbraw/zinc/57/63/19/841576319.db2.gz DBAOYWLGYFHELD-HDMKZQKVSA-N 2 0 332.448 -0.199 20 30 EBEDRP C=C1[C@H](C(=O)NCC[NH+]2CC=CC2)[C@@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001332392571 841632989 /nfs/dbraw/zinc/63/29/89/841632989.db2.gz GQWNBBFOGPQZOH-IYBDPMFKSA-N 2 0 330.432 -0.235 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)OC)CC1 ZINC001332605990 841687765 /nfs/dbraw/zinc/68/77/65/841687765.db2.gz MKROBBUWRGKDGZ-HOCLYGCPSA-N 2 0 325.453 -0.225 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001691096001 1125832531 /nfs/dbraw/zinc/83/25/31/1125832531.db2.gz RCPDREVPPBJVQV-LJISPDSOSA-N 2 0 335.452 -0.159 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691123807 1125835934 /nfs/dbraw/zinc/83/59/34/1125835934.db2.gz OQOCCPDVDOHWKT-SOUVJXGZSA-N 2 0 332.448 -0.296 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001691147247 1125837997 /nfs/dbraw/zinc/83/79/97/1125837997.db2.gz RCPDREVPPBJVQV-ZQDZILKHSA-N 2 0 335.452 -0.159 20 30 EBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691476821 1125884254 /nfs/dbraw/zinc/88/42/54/1125884254.db2.gz RJIFEMNRWHBAFJ-INIZCTEOSA-N 2 0 341.431 -0.113 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001482368101 1126140025 /nfs/dbraw/zinc/14/00/25/1126140025.db2.gz MTIJMFOMNIBDGF-HNNXBMFYSA-N 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C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]C[C@H](O)COC)C1 ZINC001484098133 1126506066 /nfs/dbraw/zinc/50/60/66/1126506066.db2.gz NGNBPYVHCDCKPU-BQFCYCMXSA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239414 1126536963 /nfs/dbraw/zinc/53/69/63/1126536963.db2.gz XQZAHNPNXGLSRA-CJNGLKHVSA-N 2 0 326.441 -0.818 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001484620287 1126611812 /nfs/dbraw/zinc/61/18/12/1126611812.db2.gz PVNSDAUGOFZNRD-CQSZACIVSA-N 2 0 331.420 -0.317 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001484688788 1126622381 /nfs/dbraw/zinc/62/23/81/1126622381.db2.gz MULJVYBPCVCEDQ-CABCVRRESA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001485684914 1126798709 /nfs/dbraw/zinc/79/87/09/1126798709.db2.gz NPDHIEOYSLSSHV-FVQBIDKESA-N 2 0 332.448 -0.438 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001490742356 1129252094 /nfs/dbraw/zinc/25/20/94/1129252094.db2.gz OLVROXDPZPEUBN-CQSZACIVSA-N 2 0 349.435 -0.989 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280665227 1129276530 /nfs/dbraw/zinc/27/65/30/1129276530.db2.gz AGSAQAGDUJNIRQ-GJZGRUSLSA-N 2 0 338.452 -0.410 20 30 EBEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000081670781 376994388 /nfs/dbraw/zinc/99/43/88/376994388.db2.gz JXLISJGPGBHSEF-UHFFFAOYSA-N 2 0 348.491 -0.192 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262759351 379239735 /nfs/dbraw/zinc/23/97/35/379239735.db2.gz COZSHRHBYAVQRO-OAHLLOKOSA-N 2 0 344.467 -0.826 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000491298757 379595144 /nfs/dbraw/zinc/59/51/44/379595144.db2.gz XHNUJTXBDOXCLM-MRXNPFEDSA-N 2 0 349.479 -0.111 20 30 EBEDRP OCCOC1CC[NH+](CC#CC[NH+]2CCC(OCCO)CC2)CC1 ZINC000341913511 380743426 /nfs/dbraw/zinc/74/34/26/380743426.db2.gz UDPCJXYGJZSTLN-UHFFFAOYSA-N 2 0 340.464 -0.064 20 30 EBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000329365410 381594688 /nfs/dbraw/zinc/59/46/88/381594688.db2.gz JYTBYRWAODYOEU-CQSZACIVSA-N 2 0 327.473 -0.153 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632173 382023599 /nfs/dbraw/zinc/02/35/99/382023599.db2.gz XKXTXDDNVSMQJH-RYUDHWBXSA-N 2 0 325.413 -0.826 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1=O ZINC000844195013 584090975 /nfs/dbraw/zinc/09/09/75/584090975.db2.gz PATUMPGERDBJBJ-BARDWOONSA-N 2 0 333.436 -0.453 20 30 EBEDRP C[NH+]=C(NCCN1CCCS1(=O)=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261997413 649985910 /nfs/dbraw/zinc/98/59/10/649985910.db2.gz STFJSCRJBANFGW-GXTWGEPZSA-N 2 0 343.497 -0.330 20 30 EBEDRP CCOC(=O)[C@@H]1CCCN(C(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)C1 ZINC000261980628 649986078 /nfs/dbraw/zinc/98/60/78/649986078.db2.gz OTTWHCKADGSROF-CABCVRRESA-N 2 0 337.468 -0.163 20 30 EBEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCN(c2nccn(C)c2=O)CC1 ZINC000262823723 649988453 /nfs/dbraw/zinc/98/84/53/649988453.db2.gz XRPKHAXKHRQGEC-UHFFFAOYSA-N 2 0 349.483 -0.134 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+]1CCOC ZINC000303984504 649992924 /nfs/dbraw/zinc/99/29/24/649992924.db2.gz SBJXDVSNHPPZQI-OAHLLOKOSA-N 2 0 327.473 -0.406 20 30 EBEDRP C=C1[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913636129 650242151 /nfs/dbraw/zinc/24/21/51/650242151.db2.gz XUIDBVFBCXEXHO-OKILXGFUSA-N 2 0 330.432 -0.283 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC000962771640 723321250 /nfs/dbraw/zinc/32/12/50/723321250.db2.gz HLHSNZWTMBPRJR-SIXLDLHFSA-N 2 0 346.475 -0.145 20 30 EBEDRP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999975869 726546309 /nfs/dbraw/zinc/54/63/09/726546309.db2.gz RMCKFDRDHFVZPQ-CABCVRRESA-N 2 0 332.408 -0.895 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 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810522910 /nfs/dbraw/zinc/52/29/10/810522910.db2.gz YDFICHFYHVFTAN-YWVKMMECSA-N 2 0 344.393 -0.256 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203230 811688046 /nfs/dbraw/zinc/68/80/46/811688046.db2.gz WAYHVPZTZBSDET-KRWDZBQOSA-N 2 0 346.475 -0.094 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229710762 812050255 /nfs/dbraw/zinc/05/02/55/812050255.db2.gz SXDPEYALVJFNJC-ZIAGYGMSSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080998104 812434562 /nfs/dbraw/zinc/43/45/62/812434562.db2.gz SLQDLYDOKCONAI-OIISXLGYSA-N 2 0 346.475 -0.001 20 30 EBEDRP C=CC[C@H]1[NH2+]CCC[C@@H]1N1C[C@@]23C[NH2+]C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247009639 812596001 /nfs/dbraw/zinc/59/60/01/812596001.db2.gz PCTFVBULZFKCSK-MRLBHPIUSA-N 2 0 327.450 -0.172 20 30 EBEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001264080715 813147920 /nfs/dbraw/zinc/14/79/20/813147920.db2.gz UNAHMDMJWOXYNB-SJORKVTESA-N 2 0 337.464 -0.127 20 30 EBEDRP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001264428214 813175723 /nfs/dbraw/zinc/17/57/23/813175723.db2.gz OJXFBLQKRWQCRP-HDJSIYSDSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001264581487 813183233 /nfs/dbraw/zinc/18/32/33/813183233.db2.gz JQQAWRYSVJEUTQ-AWEZNQCLSA-N 2 0 329.404 -0.137 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001266791298 813671807 /nfs/dbraw/zinc/67/18/07/813671807.db2.gz YAAABXWMLBMYFZ-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001267622152 813956923 /nfs/dbraw/zinc/95/69/23/813956923.db2.gz NYTZUWNZQCKSIK-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2nnnn2C)CC1 ZINC001268015371 814092334 /nfs/dbraw/zinc/09/23/34/814092334.db2.gz LEJVZSAUXVKEBT-ZDUSSCGKSA-N 2 0 333.440 -0.603 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001268673910 814348376 /nfs/dbraw/zinc/34/83/76/814348376.db2.gz MDPKEGYNVYVYRU-GFCCVEGCSA-N 2 0 325.413 -0.812 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C[C@@H](O)COC)C2)CC1 ZINC001270658823 815846825 /nfs/dbraw/zinc/84/68/25/815846825.db2.gz QIAVPPRMWMWORV-AEFFLSMTSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001086277927 816290082 /nfs/dbraw/zinc/29/00/82/816290082.db2.gz AEVSMOJVYHEZRK-VNQPRFMTSA-N 2 0 332.448 -0.296 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001272511536 816452272 /nfs/dbraw/zinc/45/22/72/816452272.db2.gz DHTZCCWYJTZOJR-CABCVRRESA-N 2 0 338.452 -0.818 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274034029 816845077 /nfs/dbraw/zinc/84/50/77/816845077.db2.gz BLYMMXMJCJWLTI-KBSCQGNFSA-N 2 0 332.448 -0.272 20 30 EBEDRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001275422156 817214246 /nfs/dbraw/zinc/21/42/46/817214246.db2.gz AZOLSNYTIIYPEP-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090635935 817601034 /nfs/dbraw/zinc/60/10/34/817601034.db2.gz AEHVUGRAVIOECC-HOTGVXAUSA-N 2 0 333.436 -0.367 20 30 EBEDRP CN(C)C(=O)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@@H]2C1 ZINC001277943569 817660389 /nfs/dbraw/zinc/66/03/89/817660389.db2.gz YYSIUXFERFNKGP-HUUCEWRRSA-N 2 0 347.463 -0.109 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001278025102 817678656 /nfs/dbraw/zinc/67/86/56/817678656.db2.gz KPAXRYWNXSIOGB-CVEARBPZSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728667 817799780 /nfs/dbraw/zinc/79/97/80/817799780.db2.gz RSEICNXXLOXJEP-AWEZNQCLSA-N 2 0 338.452 -0.505 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001278828556 817855441 /nfs/dbraw/zinc/85/54/41/817855441.db2.gz OQENQZHLXAJNOT-VQIMIIECSA-N 2 0 349.475 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]C[C@H]2CCOC2)CC1 ZINC001279910783 818005171 /nfs/dbraw/zinc/00/51/71/818005171.db2.gz BSXPLKAAZZNYNE-MRXNPFEDSA-N 2 0 337.464 -0.221 20 30 EBEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001281193162 818072243 /nfs/dbraw/zinc/07/22/43/818072243.db2.gz RCYLKPWHHLJJND-AEFFLSMTSA-N 2 0 337.464 -0.079 20 30 EBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001283773209 818944642 /nfs/dbraw/zinc/94/46/42/818944642.db2.gz WZIXAELWGZWWKK-OAHLLOKOSA-N 2 0 341.452 -0.939 20 30 EBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283804550 818961339 /nfs/dbraw/zinc/96/13/39/818961339.db2.gz MNQVIAQHKJKJBV-PBHICJAKSA-N 2 0 343.443 -0.085 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001284180950 819126780 /nfs/dbraw/zinc/12/67/80/819126780.db2.gz UOTQMBWIIJGVFK-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH+](CCO)CCO)CC2)CC1 ZINC001098572595 819251451 /nfs/dbraw/zinc/25/14/51/819251451.db2.gz QDBNGOREYUDQKI-UHFFFAOYSA-N 2 0 337.464 -0.391 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365932 820768835 /nfs/dbraw/zinc/76/88/35/820768835.db2.gz RBBWWYVOEZATFO-VKJFTORMSA-N 2 0 334.464 -0.144 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461754 820798622 /nfs/dbraw/zinc/79/86/22/820798622.db2.gz RREPOGFFVWKBRN-QAPCUYQASA-N 2 0 332.448 -0.388 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001317083127 821997594 /nfs/dbraw/zinc/99/75/94/821997594.db2.gz XDZMXXMYUQOTIE-JYJNAYRXSA-N 2 0 332.448 -0.153 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317277617 822058018 /nfs/dbraw/zinc/05/80/18/822058018.db2.gz VTTDEMWEYMRKAR-AWEZNQCLSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317323166 822083203 /nfs/dbraw/zinc/08/32/03/822083203.db2.gz SYFDAOUTXGZUER-OWCLPIDISA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249428 822237710 /nfs/dbraw/zinc/23/77/10/822237710.db2.gz HDZFQVMMIFWWBZ-FRFSOERESA-N 2 0 334.464 -0.240 20 30 EBEDRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107530905 823876131 /nfs/dbraw/zinc/87/61/31/823876131.db2.gz RWFXUIUWJQNMFP-RHSMWYFYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107631796 823893770 /nfs/dbraw/zinc/89/37/70/823893770.db2.gz FUIJLRASVFVZEW-IIDMSEBBSA-N 2 0 347.463 -0.061 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112578495 825458302 /nfs/dbraw/zinc/45/83/02/825458302.db2.gz RGYMPDUVLOQIRT-VKJFTORMSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114417207 826240518 /nfs/dbraw/zinc/24/05/18/826240518.db2.gz VMUFQNBJAHAELD-UTXMOHQDSA-N 2 0 332.448 -0.345 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179936209 833027426 /nfs/dbraw/zinc/02/74/26/833027426.db2.gz PAILBSCFXFYZNI-KKUMJFAQSA-N 2 0 340.468 -0.166 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114926984 826373362 /nfs/dbraw/zinc/37/33/62/826373362.db2.gz FXZFFMAQZPYGGI-KMANFZQXSA-N 2 0 346.475 -0.097 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121772884 827447113 /nfs/dbraw/zinc/44/71/13/827447113.db2.gz JTRJFSBMYWXSMU-QHQILCNVSA-N 2 0 346.475 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183817417 833307355 /nfs/dbraw/zinc/30/73/55/833307355.db2.gz PLUZZAHAMIYJHL-OAHLLOKOSA-N 2 0 343.431 -0.152 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558840 828883906 /nfs/dbraw/zinc/88/39/06/828883906.db2.gz RAHADSDBICDGIQ-AWEZNQCLSA-N 2 0 331.420 -0.248 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@H]3CCC[N@H+]3C)[n-]2)O1 ZINC001130772682 828935143 /nfs/dbraw/zinc/93/51/43/828935143.db2.gz XOUPSWFWCRWJBI-BFHYXJOUSA-N 2 0 346.435 -0.042 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133311532 829619444 /nfs/dbraw/zinc/61/94/44/829619444.db2.gz ZUUVKUTYRDPJML-HZPDHXFCSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133310676 829619684 /nfs/dbraw/zinc/61/96/84/829619684.db2.gz QGFMGEQZMOCMFH-HUUCEWRRSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118401 829900077 /nfs/dbraw/zinc/90/00/77/829900077.db2.gz LNZCUDBBVMCSSL-ZDUSSCGKSA-N 2 0 336.440 -0.545 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513098 829979756 /nfs/dbraw/zinc/97/97/56/829979756.db2.gz GQPMFZOIIPRBBU-LBPRGKRZSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001211233452 837410940 /nfs/dbraw/zinc/41/09/40/837410940.db2.gz FPXIJBHZNXGEFT-DLBZAZTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147225700 830303291 /nfs/dbraw/zinc/30/32/91/830303291.db2.gz SWMBDGIXFLPSPH-HUUCEWRRSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582954 830367448 /nfs/dbraw/zinc/36/74/48/830367448.db2.gz KAEWISUPXWTGSD-OWCLPIDISA-N 2 0 346.475 -0.001 20 30 EBEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842454 830419855 /nfs/dbraw/zinc/41/98/55/830419855.db2.gz YNZLXQCTBZEFOK-UHFFFAOYSA-N 2 0 328.457 -0.305 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCCNC(C)=O)CC1 ZINC001152330213 831153178 /nfs/dbraw/zinc/15/31/78/831153178.db2.gz IXDAJUKEQDGHHS-UHFFFAOYSA-N 2 0 338.452 -0.810 20 30 EBEDRP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CCc1cncn1C ZINC001156677216 831489634 /nfs/dbraw/zinc/48/96/34/831489634.db2.gz NDVWBFYTVVVRLU-CQSZACIVSA-N 2 0 333.436 -0.071 20 30 EBEDRP C[N@H+](CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)C1CCC1 ZINC001165509161 832224687 /nfs/dbraw/zinc/22/46/87/832224687.db2.gz MJBAONFYCTXFFE-UHFFFAOYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237214 832319709 /nfs/dbraw/zinc/31/97/09/832319709.db2.gz XHQGIEFWDPUYCT-GJZGRUSLSA-N 2 0 334.464 -0.190 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170211442 832492047 /nfs/dbraw/zinc/49/20/47/832492047.db2.gz LARJNPDFRPMLAM-UHFFFAOYSA-N 2 0 327.429 -0.564 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102100 832657578 /nfs/dbraw/zinc/65/75/78/832657578.db2.gz AWXOVNNJCGAGFD-UHFFFAOYSA-N 2 0 325.413 -0.810 20 30 EBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179409689 832975406 /nfs/dbraw/zinc/97/54/06/832975406.db2.gz QTLSZEWBFCSRMD-AJNGGQMLSA-N 2 0 335.452 -0.065 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001188092672 834000517 /nfs/dbraw/zinc/00/05/17/834000517.db2.gz VPUHWFACMSNCMP-MRXNPFEDSA-N 2 0 330.432 -0.729 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCOCCO)CC2)CC1 ZINC001198236515 835656834 /nfs/dbraw/zinc/65/68/34/835656834.db2.gz NBPPCEQFNKQWSQ-UHFFFAOYSA-N 2 0 337.464 -0.125 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201319867 836128011 /nfs/dbraw/zinc/12/80/11/836128011.db2.gz VLVJLTSBHUDJKW-GJZGRUSLSA-N 2 0 338.452 -0.717 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201317264 836128915 /nfs/dbraw/zinc/12/89/15/836128915.db2.gz HIDMPBCEVYTJFH-CABCVRRESA-N 2 0 340.468 -0.164 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334493 836129903 /nfs/dbraw/zinc/12/99/03/836129903.db2.gz JFQBXBVIDBPQPX-CQSZACIVSA-N 2 0 326.441 -0.553 20 30 EBEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862414 836207835 /nfs/dbraw/zinc/20/78/35/836207835.db2.gz AOZMTZUZUBZQKR-MRXNPFEDSA-N 2 0 343.468 -0.026 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059895 836244501 /nfs/dbraw/zinc/24/45/01/836244501.db2.gz SKXXCVJWVYAZNQ-GJZGRUSLSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]C[C@@H](C)O)C2)CC1 ZINC001202140626 836261417 /nfs/dbraw/zinc/26/14/17/836261417.db2.gz CERUWKWSVWGFFN-WBVHZDCISA-N 2 0 337.464 -0.081 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794204 836478117 /nfs/dbraw/zinc/47/81/17/836478117.db2.gz VNJHVOSZUUHQAC-KBPBESRZSA-N 2 0 335.452 -0.017 20 30 EBEDRP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873538 836686253 /nfs/dbraw/zinc/68/62/53/836686253.db2.gz AZTFEIJUNNVFLJ-UHFFFAOYSA-N 2 0 340.468 -0.305 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208057539 836938479 /nfs/dbraw/zinc/93/84/79/836938479.db2.gz YQXGOTYWEWJUEP-HOTGVXAUSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208262062 836965679 /nfs/dbraw/zinc/96/56/79/836965679.db2.gz XJRRHIRNBIPFOO-GJZGRUSLSA-N 2 0 340.443 -0.004 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685286 837320238 /nfs/dbraw/zinc/32/02/38/837320238.db2.gz RYXWVMCZQHOXQU-HUUCEWRRSA-N 2 0 338.452 -0.717 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001323001612 839317712 /nfs/dbraw/zinc/31/77/12/839317712.db2.gz YWQQJIAFOIIKIP-LSDHHAIUSA-N 2 0 333.436 -0.548 20 30 EBEDRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001327908373 840545173 /nfs/dbraw/zinc/54/51/73/840545173.db2.gz ZLHHJUHLZOTATG-KGLIPLIRSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330650334 841253590 /nfs/dbraw/zinc/25/35/90/841253590.db2.gz JCXICVGXTJMNJS-KKUMJFAQSA-N 2 0 334.464 -0.050 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028021 841553985 /nfs/dbraw/zinc/55/39/85/841553985.db2.gz NMDPWVQIXHPJDZ-QWHCGFSZSA-N 2 0 339.440 -0.471 20 30 EBEDRP C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332646061 841703064 /nfs/dbraw/zinc/70/30/64/841703064.db2.gz CFZCFZJIFSDFGN-GJZGRUSLSA-N 2 0 340.468 -0.476 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)CC1 ZINC001481940380 1126068456 /nfs/dbraw/zinc/06/84/56/1126068456.db2.gz HFXFHOFFJZWLDW-QGZVFWFLSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001691527541 1126189467 /nfs/dbraw/zinc/18/94/67/1126189467.db2.gz BLRHKXLAFKYMKE-INIZCTEOSA-N 2 0 347.463 -0.023 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001482663769 1126248580 /nfs/dbraw/zinc/24/85/80/1126248580.db2.gz BXAWTMGLMKJJSE-LSDHHAIUSA-N 2 0 345.447 -0.355 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC2CC2)CC1 ZINC001483297053 1126414825 /nfs/dbraw/zinc/41/48/25/1126414825.db2.gz VQHNYMSYVKROKM-AWEZNQCLSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001484680307 1126616088 /nfs/dbraw/zinc/61/60/88/1126616088.db2.gz LJWBCQKVPRNJQP-AWEZNQCLSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CCCO)C2)CC1 ZINC001485651457 1126778413 /nfs/dbraw/zinc/77/84/13/1126778413.db2.gz UQZOVQSOHTZISR-NVXWUHKLSA-N 2 0 337.464 -0.081 20 30 EBEDRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001486248594 1127066923 /nfs/dbraw/zinc/06/69/23/1127066923.db2.gz XQVWNUNVENYNBJ-CYBMUJFWSA-N 2 0 333.436 -0.451 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486288677 1127115746 /nfs/dbraw/zinc/11/57/46/1127115746.db2.gz YIYWTDGUDGPHTD-CQSZACIVSA-N 2 0 338.452 -0.674 20 30 EBEDRP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001489181134 1128926470 /nfs/dbraw/zinc/92/64/70/1128926470.db2.gz GORTZKMMXUTWPB-PMPSAXMXSA-N 2 0 332.448 -0.390 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280665231 1129276547 /nfs/dbraw/zinc/27/65/47/1129276547.db2.gz AGSAQAGDUJNIRQ-LSDHHAIUSA-N 2 0 338.452 -0.410 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001491170294 1130347760 /nfs/dbraw/zinc/34/77/60/1130347760.db2.gz MFFPILAUKIWNED-AWEZNQCLSA-N 2 0 335.452 -0.204 20 30 EBEDRP [NH2+]=C(NC[C@@H](O)C[NH+]1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000264084071 379243347 /nfs/dbraw/zinc/24/33/47/379243347.db2.gz ILPULBJMJZJBKK-OAHLLOKOSA-N 2 0 347.467 -0.240 20 30 EBEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264068769 379243458 /nfs/dbraw/zinc/24/34/58/379243458.db2.gz CNCPKNCCHOPOMB-UHFFFAOYSA-N 2 0 335.456 -0.118 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000491623196 379608494 /nfs/dbraw/zinc/60/84/94/379608494.db2.gz IAIIVOPMABSCIG-HNNXBMFYSA-N 2 0 337.468 -0.029 20 30 EBEDRP COCCNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NCCOC)c1 ZINC000274223842 379677961 /nfs/dbraw/zinc/67/79/61/379677961.db2.gz SAWOUPPMBOROPU-UHFFFAOYSA-N 2 0 336.440 -0.212 20 30 EBEDRP C[NH+](CC#CC[N@@H+](C)C1(CO)CCOCC1)C1(CO)CCOCC1 ZINC000342118752 380756408 /nfs/dbraw/zinc/75/64/08/380756408.db2.gz CJJRYGYWZJVOPP-UHFFFAOYSA-N 2 0 340.464 -0.064 20 30 EBEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329940974 381700147 /nfs/dbraw/zinc/70/01/47/381700147.db2.gz BXHXAWHWDHXRQD-OAHLLOKOSA-N 2 0 341.500 -0.029 20 30 EBEDRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329940973 381701123 /nfs/dbraw/zinc/70/11/23/381701123.db2.gz BXHXAWHWDHXRQD-HNNXBMFYSA-N 2 0 341.500 -0.029 20 30 EBEDRP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](C)N1CCOCC1 ZINC000329498669 545741146 /nfs/dbraw/zinc/74/11/46/545741146.db2.gz XWMYYLWQEXQOLR-SOUVJXGZSA-N 2 0 327.473 -0.155 20 30 EBEDRP CN(CCC#N)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588916 584411856 /nfs/dbraw/zinc/41/18/56/584411856.db2.gz JFTOFZOHAFZXHM-ZIAGYGMSSA-N 2 0 331.486 -0.252 20 30 EBEDRP C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867676569 584413857 /nfs/dbraw/zinc/41/38/57/584413857.db2.gz RGCUXIDTSBPIEL-RBSFLKMASA-N 2 0 337.468 -0.198 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)C(=C)C[NH+](C)C)CCO1 ZINC000871465266 584454350 /nfs/dbraw/zinc/45/43/50/584454350.db2.gz VKCUHZMCYBRQCG-OAHLLOKOSA-N 2 0 338.452 -0.434 20 30 EBEDRP C#CCNC(=O)C[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC(=O)NCC#C)CC1 ZINC000886393932 584664205 /nfs/dbraw/zinc/66/42/05/584664205.db2.gz JBUZOCQCSKADCK-WKILWMFISA-N 2 0 332.448 -0.340 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCc2nc(C)nn2C1 ZINC000261829061 649985632 /nfs/dbraw/zinc/98/56/32/649985632.db2.gz OCUPZZYVVVZNPK-ZIAGYGMSSA-N 2 0 332.456 -0.934 20 30 EBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCN(C(C)=O)CC1 ZINC000262769323 649988303 /nfs/dbraw/zinc/98/83/03/649988303.db2.gz HCYLGMTZPXGAIN-INIZCTEOSA-N 2 0 336.484 -0.448 20 30 EBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(C(=O)OC)CC1 ZINC000262740730 649988442 /nfs/dbraw/zinc/98/84/42/649988442.db2.gz BYJQSCUQHMXRIH-HNNXBMFYSA-N 2 0 337.468 -0.163 20 30 EBEDRP C=C1[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000908532930 650102411 /nfs/dbraw/zinc/10/24/11/650102411.db2.gz JFOLLGSQODCTKD-IYBDPMFKSA-N 2 0 334.464 -0.171 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2ccnc2C)C1 ZINC000954631958 719803899 /nfs/dbraw/zinc/80/38/99/719803899.db2.gz MAVNNMPGLYCQBX-INIZCTEOSA-N 2 0 343.431 -0.042 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000991756259 725606770 /nfs/dbraw/zinc/60/67/70/725606770.db2.gz YUPPNIATJNSUIU-UHFFFAOYSA-N 2 0 332.448 -0.246 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019815475 728998703 /nfs/dbraw/zinc/99/87/03/728998703.db2.gz GGZZURZFVBPANI-GJZGRUSLSA-N 2 0 346.431 -0.673 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019815476 728998821 /nfs/dbraw/zinc/99/88/21/728998821.db2.gz GGZZURZFVBPANI-LSDHHAIUSA-N 2 0 346.431 -0.673 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001023128694 729614759 /nfs/dbraw/zinc/61/47/59/729614759.db2.gz OXYDLZMXLXCXQY-XHSDSOJGSA-N 2 0 332.448 -0.153 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1 ZINC001041845444 732237399 /nfs/dbraw/zinc/23/73/99/732237399.db2.gz ZMMQYPSVHVLZCJ-GOSISDBHSA-N 2 0 332.448 -0.259 20 30 EBEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083997 733856579 /nfs/dbraw/zinc/85/65/79/733856579.db2.gz GVMLLZUGLALKJW-ROUUACIJSA-N 2 0 348.491 -0.194 20 30 EBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055632700 736416888 /nfs/dbraw/zinc/41/68/88/736416888.db2.gz ZASLVPDVPPMYAI-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070288132 740778807 /nfs/dbraw/zinc/77/88/07/740778807.db2.gz AZLZOXWYCILGOW-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328305 740788115 /nfs/dbraw/zinc/78/81/15/740788115.db2.gz VVWXXXKNGUVFRU-OAGGEKHMSA-N 2 0 346.435 -0.779 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)C(N)=O)C3)CC1 ZINC001073455447 741617112 /nfs/dbraw/zinc/61/71/12/741617112.db2.gz ILAAZLKLPKUNIK-AWEZNQCLSA-N 2 0 332.448 -0.260 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214597828 810264513 /nfs/dbraw/zinc/26/45/13/810264513.db2.gz OUZMEBYBMAGCCH-KFWWJZLASA-N 2 0 335.452 -0.065 20 30 EBEDRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216838710 810393995 /nfs/dbraw/zinc/39/39/95/810393995.db2.gz CJDCJNYBECFNCU-HUUCEWRRSA-N 2 0 335.452 -0.061 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220162146 811003855 /nfs/dbraw/zinc/00/38/55/811003855.db2.gz IBMPGXVLKQSIIY-SFDCQRBFSA-N 2 0 345.465 -0.268 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225426531 811808620 /nfs/dbraw/zinc/80/86/20/811808620.db2.gz BJIQLURQRJLQDY-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001228604188 811990471 /nfs/dbraw/zinc/99/04/71/811990471.db2.gz YKWQJNNQNPOZKF-RRFJBIMHSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035916 812071741 /nfs/dbraw/zinc/07/17/41/812071741.db2.gz YGIWYXNMAOZBKH-CQSZACIVSA-N 2 0 340.468 -0.164 20 30 EBEDRP N#C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CCN1 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DGULGSDTGZIHSW-DJIMGWMZSA-N 2 0 346.475 -0.238 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106874439 822345387 /nfs/dbraw/zinc/34/53/87/822345387.db2.gz IGMBFHNQTCMCBS-OWCLPIDISA-N 2 0 334.464 -0.238 20 30 EBEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685316 828656172 /nfs/dbraw/zinc/65/61/72/828656172.db2.gz QKQIXAWKYPERHO-OAGGEKHMSA-N 2 0 348.451 -0.084 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005645 828712796 /nfs/dbraw/zinc/71/27/96/828712796.db2.gz BAEAJSVYSKWHBM-OAGGEKHMSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130232021 828761229 /nfs/dbraw/zinc/76/12/29/828761229.db2.gz OMNSDYCCTIFNQC-AWEZNQCLSA-N 2 0 338.452 -0.812 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[NH+](CC)CC)n1 ZINC001130244684 828764774 /nfs/dbraw/zinc/76/47/74/828764774.db2.gz NLANRRFHODWKFL-KBPBESRZSA-N 2 0 348.451 -0.142 20 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C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)CC1 ZINC001183496891 833292147 /nfs/dbraw/zinc/29/21/47/833292147.db2.gz PRYJMSWSWXUTSF-RDTXWAMCSA-N 2 0 334.464 -0.109 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183582073 833296300 /nfs/dbraw/zinc/29/63/00/833296300.db2.gz RKLODMJZAWYNAF-CQSZACIVSA-N 2 0 333.436 -0.307 20 30 EBEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183868509 833310239 /nfs/dbraw/zinc/31/02/39/833310239.db2.gz MRFZKRXDVIFXQT-HUUCEWRRSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563309 828303484 /nfs/dbraw/zinc/30/34/84/828303484.db2.gz VYCUMRMLEDJBGB-ZDUSSCGKSA-N 2 0 336.440 -0.545 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558841 828884523 /nfs/dbraw/zinc/88/45/23/828884523.db2.gz RAHADSDBICDGIQ-CQSZACIVSA-N 2 0 331.420 -0.248 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184434411 833330157 /nfs/dbraw/zinc/33/01/57/833330157.db2.gz XQIKGZLXCTVXKF-NWPKHEMWSA-N 2 0 348.447 -0.658 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001185198650 833349716 /nfs/dbraw/zinc/34/97/16/833349716.db2.gz CCFLJZZSQFZLAB-CQSZACIVSA-N 2 0 332.404 -0.105 20 30 EBEDRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185501522 833360496 /nfs/dbraw/zinc/36/04/96/833360496.db2.gz GDKVMUGYFNRRJK-GJZGRUSLSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185505234 833360693 /nfs/dbraw/zinc/36/06/93/833360693.db2.gz ZDSYOTICSLGODQ-HOTGVXAUSA-N 2 0 346.475 -0.094 20 30 EBEDRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001186731199 833423227 /nfs/dbraw/zinc/42/32/27/833423227.db2.gz GJAPFUVSMJOFFK-OAHLLOKOSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285793 829615171 /nfs/dbraw/zinc/61/51/71/829615171.db2.gz IWNRGSLFYAQYHP-LBPRGKRZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434006 829631289 /nfs/dbraw/zinc/63/12/89/829631289.db2.gz HEPQRWZBEHEMFG-QWHCGFSZSA-N 2 0 341.456 -0.321 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893971 829694745 /nfs/dbraw/zinc/69/47/45/829694745.db2.gz QFTJXPONNUSMGG-UHFFFAOYSA-N 2 0 330.432 -0.141 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842302 830419472 /nfs/dbraw/zinc/41/94/72/830419472.db2.gz QRBCPNYKUYDLBK-UHFFFAOYSA-N 2 0 327.429 -0.967 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900505 830428634 /nfs/dbraw/zinc/42/86/34/830428634.db2.gz OXHANMCSOWIRQU-OLZOCXBDSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)CC1 ZINC001152329756 831152054 /nfs/dbraw/zinc/15/20/54/831152054.db2.gz ANXDQINOQNOMDB-AWEZNQCLSA-N 2 0 343.493 -0.282 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)Nc2cc(C)no2)CC1 ZINC001152330285 831152772 /nfs/dbraw/zinc/15/27/72/831152772.db2.gz LDCNVKDFTQJGLW-UHFFFAOYSA-N 2 0 347.419 -0.027 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001152334333 831152880 /nfs/dbraw/zinc/15/28/80/831152880.db2.gz AQFRMXUDIDXDTJ-UHFFFAOYSA-N 2 0 344.419 -0.534 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556485 832197784 /nfs/dbraw/zinc/19/77/84/832197784.db2.gz YEBRECZPEICNOA-HNNXBMFYSA-N 2 0 347.463 -0.156 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165379513 832218376 /nfs/dbraw/zinc/21/83/76/832218376.db2.gz YUIPRXWMOIHFSN-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851878 832294093 /nfs/dbraw/zinc/29/40/93/832294093.db2.gz JRXUOEOPCBMDER-STQMWFEESA-N 2 0 341.456 -0.177 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168145937 832399337 /nfs/dbraw/zinc/39/93/37/832399337.db2.gz BPRRFBPYOXNKMC-GJZGRUSLSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756820 832523677 /nfs/dbraw/zinc/52/36/77/832523677.db2.gz RGNRCGNEIIJJFQ-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176972240 832722592 /nfs/dbraw/zinc/72/25/92/832722592.db2.gz RYGULBBIYNZJKN-UHFFFAOYSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028169 834593895 /nfs/dbraw/zinc/59/38/95/834593895.db2.gz CWDFNGXISVDQHJ-CABCVRRESA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276128 836121858 /nfs/dbraw/zinc/12/18/58/836121858.db2.gz FGUZSGYWXUPKIQ-OAHLLOKOSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334492 836129756 /nfs/dbraw/zinc/12/97/56/836129756.db2.gz JFQBXBVIDBPQPX-AWEZNQCLSA-N 2 0 326.441 -0.553 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201431211 836146686 /nfs/dbraw/zinc/14/66/86/836146686.db2.gz XFFCAXSICITMDN-CABCVRRESA-N 2 0 340.468 -0.164 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201688911 836176996 /nfs/dbraw/zinc/17/69/96/836176996.db2.gz UXEKXDDAWAFFHD-OAHLLOKOSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201924423 836217264 /nfs/dbraw/zinc/21/72/64/836217264.db2.gz LFCQWFAZHOZZGL-OAHLLOKOSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059897 836245803 /nfs/dbraw/zinc/24/58/03/836245803.db2.gz SKXXCVJWVYAZNQ-LSDHHAIUSA-N 2 0 338.452 -0.553 20 30 EBEDRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203326640 836420635 /nfs/dbraw/zinc/42/06/35/836420635.db2.gz VEVDEZDIRWZFIH-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208057545 836939220 /nfs/dbraw/zinc/93/92/20/836939220.db2.gz YQXGOTYWEWJUEP-JKSUJKDBSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001319133105 838077180 /nfs/dbraw/zinc/07/71/80/838077180.db2.gz YQSGTGAPAHNAMM-CQSZACIVSA-N 2 0 349.435 -0.893 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001323065967 839339333 /nfs/dbraw/zinc/33/93/33/839339333.db2.gz LIKUMBREDZTHCH-CWRNSKLLSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@@H+]1C ZINC001323068134 839341352 /nfs/dbraw/zinc/34/13/52/839341352.db2.gz UKVKFAQNWDMVIV-AEGPPILISA-N 2 0 335.452 -0.159 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H](O)COC)CC1 ZINC001324286414 839623169 /nfs/dbraw/zinc/62/31/69/839623169.db2.gz QFRKGGQEHDZDSH-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001325347068 839851264 /nfs/dbraw/zinc/85/12/64/839851264.db2.gz AMQGKGFXVVOMKB-IMJJTQAJSA-N 2 0 347.463 -0.063 20 30 EBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001332928020 841766362 /nfs/dbraw/zinc/76/63/62/841766362.db2.gz AOVOYJJDHDUJDW-JKSUJKDBSA-N 2 0 337.468 -0.080 20 30 EBEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2)CC1 ZINC001342134929 843142223 /nfs/dbraw/zinc/14/22/23/843142223.db2.gz KICVVNZQQZZUDN-UKRRQHHQSA-N 2 0 349.435 -0.978 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691441165 1125877710 /nfs/dbraw/zinc/87/77/10/1125877710.db2.gz ZQFLWPGLUQKAKZ-CFVMTHIKSA-N 2 0 333.436 -0.548 20 30 EBEDRP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481504670 1126004987 /nfs/dbraw/zinc/00/49/87/1126004987.db2.gz NQCJLDBFPRUGFD-HNNXBMFYSA-N 2 0 332.448 -0.388 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001482797527 1126293856 /nfs/dbraw/zinc/29/38/56/1126293856.db2.gz ATHQELKQLSASGQ-DOTOQJQBSA-N 2 0 337.464 -0.175 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001483785024 1126477073 /nfs/dbraw/zinc/47/70/73/1126477073.db2.gz VWIRNNGTPGZAJJ-UHFFFAOYSA-N 2 0 347.463 -0.013 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(CC(=O)NCC#N)C2)C1 ZINC001483845129 1126481402 /nfs/dbraw/zinc/48/14/02/1126481402.db2.gz GXUPVWLQUZRBAL-RHSMWYFYSA-N 2 0 333.436 -0.355 20 30 EBEDRP N#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001484407632 1126568588 /nfs/dbraw/zinc/56/85/88/1126568588.db2.gz ICAIHQKLBUMWCO-GASCZTMLSA-N 2 0 345.447 -0.355 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414834 1126571707 /nfs/dbraw/zinc/57/17/07/1126571707.db2.gz DHHMGWWQHXZSCH-FPCVCCKLSA-N 2 0 332.448 -0.534 20 30 EBEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001486359512 1127153584 /nfs/dbraw/zinc/15/35/84/1127153584.db2.gz YEPWCVCOGJEISC-CVEARBPZSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC001093223187 1128308980 /nfs/dbraw/zinc/30/89/80/1128308980.db2.gz VQCWWKALWZNMIJ-GDBMZVCRSA-N 2 0 334.464 -0.238 20 30 EBEDRP COCC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001489174120 1128917692 /nfs/dbraw/zinc/91/76/92/1128917692.db2.gz NZQUZKXIYBOQTR-DLBZAZTESA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001490958020 1130273718 /nfs/dbraw/zinc/27/37/18/1130273718.db2.gz KYGFDUFQNKTSKB-DJIMGWMZSA-N 2 0 344.459 -0.294 20 30 EBEDRP C[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC(=O)NCC#N ZINC001491524450 1130482268 /nfs/dbraw/zinc/48/22/68/1130482268.db2.gz VYSFNRIBULTZJK-LBPRGKRZSA-N 2 0 341.375 -0.385 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480680688 1132960550 /nfs/dbraw/zinc/96/05/50/1132960550.db2.gz OOESLKNNBDQPTB-OAHLLOKOSA-N 2 0 335.452 -0.060 20 30 EBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262537635 379235431 /nfs/dbraw/zinc/23/54/31/379235431.db2.gz QDRSAVYTTBZFDS-AWEZNQCLSA-N 2 0 332.456 -0.841 20 30 EBEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264063802 379243599 /nfs/dbraw/zinc/24/35/99/379243599.db2.gz AIPUIUZPZDASIK-UHFFFAOYSA-N 2 0 346.483 -0.449 20 30 EBEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000261704409 379223772 /nfs/dbraw/zinc/22/37/72/379223772.db2.gz JKWQAUJHPFVVGV-AWEZNQCLSA-N 2 0 347.467 -0.014 20 30 EBEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261860511 379224440 /nfs/dbraw/zinc/22/44/40/379224440.db2.gz YIEPURPWHCWKRO-CYBMUJFWSA-N 2 0 333.440 -0.262 20 30 EBEDRP CN1CCC([N@@H+]2CC[C@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2)CC1 ZINC000369244136 379378657 /nfs/dbraw/zinc/37/86/57/379378657.db2.gz PXJFVMFBQIMTPH-LBPRGKRZSA-N 2 0 346.435 -0.464 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627386728 379576206 /nfs/dbraw/zinc/57/62/06/379576206.db2.gz VZEDYPXHOHNTRF-UHFFFAOYSA-N 2 0 338.452 -0.233 20 30 EBEDRP C#CCN1CCN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000491780269 379626635 /nfs/dbraw/zinc/62/66/35/379626635.db2.gz JZTYPQHSQQWXQZ-UHFFFAOYSA-N 3 0 337.512 -0.421 20 30 EBEDRP COCCNC(=[NH2+])NCc1ccc(CNC(=[NH2+])NCCOC)cc1 ZINC000274226626 379676394 /nfs/dbraw/zinc/67/63/94/379676394.db2.gz SLCHHQIGLRUOTC-UHFFFAOYSA-N 2 0 336.440 -0.212 20 30 EBEDRP C[NH+](CC#CC[N@@H+](C)CC1(O)CCOCC1)CC1(O)CCOCC1 ZINC000342132678 380756150 /nfs/dbraw/zinc/75/61/50/380756150.db2.gz PZUORDFLJRKKMH-UHFFFAOYSA-N 2 0 340.464 -0.064 20 30 EBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651114 380840360 /nfs/dbraw/zinc/84/03/60/380840360.db2.gz KWKUWKNTYNQMOV-ZDUSSCGKSA-N 2 0 337.424 -0.858 20 30 EBEDRP C[C@@H]1[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000648858051 420746063 /nfs/dbraw/zinc/74/60/63/420746063.db2.gz DCVGSBKZDAEUGN-KLHDSHLOSA-N 2 0 334.464 -0.097 20 30 EBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419883263 420905983 /nfs/dbraw/zinc/90/59/83/420905983.db2.gz MSNMACZXVVPIAM-INIZCTEOSA-N 2 0 343.431 -0.073 20 30 EBEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000815860389 583712424 /nfs/dbraw/zinc/71/24/24/583712424.db2.gz JAQNHLDJNPYYQT-UHFFFAOYSA-N 2 0 334.424 -0.546 20 30 EBEDRP Cn1c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C#N)c(=O)n(C)c1=O ZINC000866011504 584397993 /nfs/dbraw/zinc/39/79/93/584397993.db2.gz FSDBVPLYWLBYLS-CHWSQXEVSA-N 2 0 348.451 -0.869 20 30 EBEDRP C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000874382919 584482237 /nfs/dbraw/zinc/48/22/37/584482237.db2.gz NMFDCQHAPXPDAN-CVEARBPZSA-N 2 0 348.447 -0.867 20 30 EBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876767809 584522899 /nfs/dbraw/zinc/52/28/99/584522899.db2.gz CPVXGGCOLJKPIP-KBPBESRZSA-N 2 0 330.860 -0.021 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NCC(C)(C)N1CCOCC1 ZINC000262756560 649988201 /nfs/dbraw/zinc/98/82/01/649988201.db2.gz BPPPZFQIGZINMH-HNNXBMFYSA-N 2 0 338.500 -0.738 20 30 EBEDRP C=C1[C@H](C(=O)N(C)CC2C[NH+](C)C2)[C@@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000912453424 650205794 /nfs/dbraw/zinc/20/57/94/650205794.db2.gz HKJJTDQFWLJFTG-IYBDPMFKSA-N 2 0 334.464 -0.171 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525247 650236290 /nfs/dbraw/zinc/23/62/90/650236290.db2.gz PEGGSNBFUGRLIO-IYBDPMFKSA-N 2 0 332.448 -0.625 20 30 EBEDRP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000919517385 650302492 /nfs/dbraw/zinc/30/24/92/650302492.db2.gz QDSJUZABEANHLL-OAHLLOKOSA-N 2 0 349.479 -0.029 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2C)CC1 ZINC000945183643 653360564 /nfs/dbraw/zinc/36/05/64/653360564.db2.gz RMSPLQYSFCFAIJ-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958247533 722333219 /nfs/dbraw/zinc/33/32/19/722333219.db2.gz AKDSKKVYEGBGGQ-BBRMVZONSA-N 2 0 325.372 -0.077 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000999871585 726536996 /nfs/dbraw/zinc/53/69/96/726536996.db2.gz VGOXBRPXIPKYLE-GPANFISMSA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC000999903478 726540770 /nfs/dbraw/zinc/54/07/70/726540770.db2.gz MCEBNHAMUMLPRR-PBHICJAKSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001021089219 729281664 /nfs/dbraw/zinc/28/16/64/729281664.db2.gz BHSNOABXSWNNOY-BZUAXINKSA-N 2 0 332.448 -0.201 20 30 EBEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001025708575 730077287 /nfs/dbraw/zinc/07/72/87/730077287.db2.gz YYWJHMJXRTYEBM-LEOABGAYSA-N 2 0 332.448 -0.086 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001029003586 730382946 /nfs/dbraw/zinc/38/29/46/730382946.db2.gz NXXLHVWSNXLZQA-GOEBONIOSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)CC1 ZINC001052121884 735559137 /nfs/dbraw/zinc/55/91/37/735559137.db2.gz JKJQLLVJRCLFNZ-SFHVURJKSA-N 2 0 348.491 -0.458 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001073455902 741617311 /nfs/dbraw/zinc/61/73/11/741617311.db2.gz PWLRMMOSZRHENB-INIZCTEOSA-N 2 0 344.459 -0.246 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C[C@H](C)O)CCCO2)CC1 ZINC001073899558 741781001 /nfs/dbraw/zinc/78/10/01/741781001.db2.gz WVZJROSPDYIQJH-RDJZCZTQSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C[C@@H](C)O)CCCO2)CC1 ZINC001073899559 741781125 /nfs/dbraw/zinc/78/11/25/741781125.db2.gz WVZJROSPDYIQJH-WBVHZDCISA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC000980477703 805909873 /nfs/dbraw/zinc/90/98/73/805909873.db2.gz JGDNXUSTLQYVRA-HZPDHXFCSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001002473189 809723566 /nfs/dbraw/zinc/72/35/66/809723566.db2.gz JFAJDWWFLZAIEO-KRWDZBQOSA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215056892 810304121 /nfs/dbraw/zinc/30/41/21/810304121.db2.gz MOACBSNSPBSRFG-HUUCEWRRSA-N 2 0 332.448 -0.199 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215224148 810316323 /nfs/dbraw/zinc/31/63/23/810316323.db2.gz KWGMKNPMVNPJKS-UNEWFSDZSA-N 2 0 347.463 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778243 810343848 /nfs/dbraw/zinc/34/38/48/810343848.db2.gz FKFSMCITFVLBDA-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216854045 810396197 /nfs/dbraw/zinc/39/61/97/810396197.db2.gz RMQFTNVKLMIMKO-KFWWJZLASA-N 2 0 335.452 -0.063 20 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C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546129 811764493 /nfs/dbraw/zinc/76/44/93/811764493.db2.gz INZMJFYKJZYKTN-HOCLYGCPSA-N 2 0 334.464 -0.238 20 30 EBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246005156 812558448 /nfs/dbraw/zinc/55/84/48/812558448.db2.gz YLPORLIKVMRJHD-GJZGRUSLSA-N 2 0 343.468 -0.332 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001265938227 813420398 /nfs/dbraw/zinc/42/03/98/813420398.db2.gz MSLDNQOLJDICKK-AWEZNQCLSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@H](O)COC)CC1 ZINC001266494916 813584298 /nfs/dbraw/zinc/58/42/98/813584298.db2.gz CNLRRDRJXLROCE-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626399 813626976 /nfs/dbraw/zinc/62/69/76/813626976.db2.gz IISOWOQINUKUGE-AJNGGQMLSA-N 2 0 333.436 -0.120 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266866616 813688480 /nfs/dbraw/zinc/68/84/80/813688480.db2.gz CHRJUGKZYQVYOW-CVEARBPZSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266901120 813695537 /nfs/dbraw/zinc/69/55/37/813695537.db2.gz RPRQJDBDXAMVJR-ZZTPXLKCSA-N 2 0 344.459 -0.488 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268691364 814353535 /nfs/dbraw/zinc/35/35/35/814353535.db2.gz VWSFDCHJRNYART-LBPRGKRZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C[C@](C[NH2+]CC(=O)NCC#N)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269645714 814755819 /nfs/dbraw/zinc/75/58/19/814755819.db2.gz PJESUAHFDJHGOD-MRXNPFEDSA-N 2 0 333.436 -0.404 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797839 815609285 /nfs/dbraw/zinc/60/92/85/815609285.db2.gz DBZAKBANUFOIHG-GJZGRUSLSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001272512933 816451928 /nfs/dbraw/zinc/45/19/28/816451928.db2.gz MFVZGYBRZNDAOJ-OCCSQVGLSA-N 2 0 326.441 -0.914 20 30 EBEDRP C#CCN1C[C@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001273728731 816742653 /nfs/dbraw/zinc/74/26/53/816742653.db2.gz YMIGPJNIJWVQEH-GOSISDBHSA-N 2 0 334.464 -0.440 20 30 EBEDRP CN1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273836067 816779135 /nfs/dbraw/zinc/77/91/35/816779135.db2.gz MSPVDETUJCHXQQ-GOSISDBHSA-N 2 0 347.463 -0.011 20 30 EBEDRP Cc1c(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)ccc2c[nH+]cn21 ZINC001275214669 817170466 /nfs/dbraw/zinc/17/04/66/817170466.db2.gz GNNGTYGDUHXBDI-NSHDSACASA-N 2 0 328.376 -0.010 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccnn2C)CC1 ZINC001278201921 817724871 /nfs/dbraw/zinc/72/48/71/817724871.db2.gz MGLAKSDOJKAJQJ-HNNXBMFYSA-N 2 0 333.436 -0.668 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684890 817793714 /nfs/dbraw/zinc/79/37/14/817793714.db2.gz NOSDGTIOOMCCEA-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416447 817928976 /nfs/dbraw/zinc/92/89/76/817928976.db2.gz SEUAKVMTQHRWFD-YHUYYLMFSA-N 2 0 347.463 -0.111 20 30 EBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416443 817929102 /nfs/dbraw/zinc/92/91/02/817929102.db2.gz SEUAKVMTQHRWFD-FPCVCCKLSA-N 2 0 347.463 -0.111 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001091377124 817975951 /nfs/dbraw/zinc/97/59/51/817975951.db2.gz AEVSMOJVYHEZRK-AVVWSFFYSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001281185742 818069942 /nfs/dbraw/zinc/06/99/42/818069942.db2.gz XFKXALAIILHYKV-QGZVFWFLSA-N 2 0 338.452 -0.979 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001281253553 818101380 /nfs/dbraw/zinc/10/13/80/818101380.db2.gz NBOGVGSHJIEEJG-CQSZACIVSA-N 2 0 338.452 -0.669 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282876333 818513302 /nfs/dbraw/zinc/51/33/02/818513302.db2.gz UWCKAELPCJQOSP-FPCVCCKLSA-N 2 0 346.475 -0.240 20 30 EBEDRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929043 818535167 /nfs/dbraw/zinc/53/51/67/818535167.db2.gz NTZRORWTXILGKG-UONOGXRCSA-N 2 0 339.440 -0.827 20 30 EBEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532722 819234071 /nfs/dbraw/zinc/23/40/71/819234071.db2.gz BKGQPSCEGOQSHZ-UHFFFAOYSA-N 2 0 325.453 -0.127 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501894 819258670 /nfs/dbraw/zinc/25/86/70/819258670.db2.gz KFABEAFEDIMZSP-HOTGVXAUSA-N 2 0 325.453 -0.128 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100335428 820365206 /nfs/dbraw/zinc/36/52/06/820365206.db2.gz ZQFLWPGLUQKAKZ-ZALBZXLWSA-N 2 0 333.436 -0.548 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476350 820437458 /nfs/dbraw/zinc/43/74/58/820437458.db2.gz KSCHEXHZGRNNKJ-UHFFFAOYSA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@]2(C)C1 ZINC001101404776 820780595 /nfs/dbraw/zinc/78/05/95/820780595.db2.gz QFNZJVMJILDQKQ-IYOUNJFTSA-N 2 0 343.431 -0.130 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460681 820796631 /nfs/dbraw/zinc/79/66/31/820796631.db2.gz RSKPOEADPIPMME-DAYGRLMNSA-N 2 0 332.448 -0.532 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976263 820979924 /nfs/dbraw/zinc/97/99/24/820979924.db2.gz SJWOSBRTQUJNDJ-DJIMGWMZSA-N 2 0 346.475 -0.238 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104911644 821563770 /nfs/dbraw/zinc/56/37/70/821563770.db2.gz CPYYXDNDEJREHD-HZPDHXFCSA-N 2 0 346.475 -0.094 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001105008302 821570825 /nfs/dbraw/zinc/57/08/25/821570825.db2.gz XHPBINWBZQXEFM-KFWWJZLASA-N 2 0 335.452 -0.348 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001316642275 821824737 /nfs/dbraw/zinc/82/47/37/821824737.db2.gz VEBALGGIEAFKFX-JOCQHMNTSA-N 2 0 348.407 -0.621 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317627660 822183460 /nfs/dbraw/zinc/18/34/60/822183460.db2.gz VUVJWRHDBPWXAH-ZDUSSCGKSA-N 2 0 339.440 -0.612 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001318663646 822349310 /nfs/dbraw/zinc/34/93/10/822349310.db2.gz HGJVZZNMMBNUQS-UHFFFAOYSA-N 2 0 333.436 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@H](C)C(N)=O)[C@H](C)C2)CC1 ZINC001107034280 823720354 /nfs/dbraw/zinc/72/03/54/823720354.db2.gz TTYVXROXRNEGHD-IIAWOOMASA-N 2 0 334.464 -0.111 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363488 828604503 /nfs/dbraw/zinc/60/45/03/828604503.db2.gz HUQVJJYXVCPZQA-HNNXBMFYSA-N 2 0 336.436 -0.915 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799101 824438915 /nfs/dbraw/zinc/43/89/15/824438915.db2.gz LZYGPOYGCHNBLN-ZNMIVQPWSA-N 2 0 345.447 -0.309 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683848 828655840 /nfs/dbraw/zinc/65/58/40/828655840.db2.gz BQYZNVRIXOYZKF-OAGGEKHMSA-N 2 0 346.435 -0.636 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855592 828681491 /nfs/dbraw/zinc/68/14/91/828681491.db2.gz OJSXPSPXFKHJOG-FPCVCCKLSA-N 2 0 330.436 -0.017 20 30 EBEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130107411 828733131 /nfs/dbraw/zinc/73/31/31/828733131.db2.gz PDQBTQJLFHHCBO-CVEARBPZSA-N 2 0 348.451 -0.389 20 30 EBEDRP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234656 828763562 /nfs/dbraw/zinc/76/35/62/828763562.db2.gz GQOSXOPKJSQODO-KBPBESRZSA-N 2 0 348.451 -0.142 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130232864 828762558 /nfs/dbraw/zinc/76/25/58/828762558.db2.gz QTUIXGMGFLEKPY-KBPBESRZSA-N 2 0 348.451 -0.142 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130249189 828766388 /nfs/dbraw/zinc/76/63/88/828766388.db2.gz OBROFPYKAHHMCJ-RDBSUJKOSA-N 2 0 346.435 -0.532 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114263556 826186184 /nfs/dbraw/zinc/18/61/84/826186184.db2.gz XDDZNMSUEKVYIW-KNCOVGOOSA-N 2 0 333.436 -0.455 20 30 EBEDRP CNC(=O)C1CC[NH+](CC#CC[NH+]2CCC(C(=O)NC)CC2)CC1 ZINC001117069126 826680228 /nfs/dbraw/zinc/68/02/28/826680228.db2.gz RWFCMMGGJAAFTJ-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122178129 827537795 /nfs/dbraw/zinc/53/77/95/827537795.db2.gz WJEBMMLAERXXJN-VZHDMLGISA-N 2 0 333.436 -0.405 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183410989 833289773 /nfs/dbraw/zinc/28/97/73/833289773.db2.gz VGHYTPZBUIRCIB-RVKKMQEKSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001183176974 833282705 /nfs/dbraw/zinc/28/27/05/833282705.db2.gz XKWOIZXWGYJKAG-RHSMWYFYSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712993 828920668 /nfs/dbraw/zinc/92/06/68/828920668.db2.gz XKWUVOARYFDKPP-DOTOQJQBSA-N 2 0 347.463 -0.094 20 30 EBEDRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185091535 833346693 /nfs/dbraw/zinc/34/66/93/833346693.db2.gz XFMNEJXXCQFQMT-LSDHHAIUSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001133296863 829617851 /nfs/dbraw/zinc/61/78/51/829617851.db2.gz CDPPKWJDTOFIOO-UHFFFAOYSA-N 2 0 330.432 -0.188 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849947 829686845 /nfs/dbraw/zinc/68/68/45/829686845.db2.gz IAZXTEHECFDZEK-INIZCTEOSA-N 2 0 326.416 -0.346 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001211233453 837411645 /nfs/dbraw/zinc/41/16/45/837411645.db2.gz FPXIJBHZNXGEFT-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)CC1 ZINC001211307667 837426093 /nfs/dbraw/zinc/42/60/93/837426093.db2.gz VTZLBGDDGATTDU-NVXWUHKLSA-N 2 0 337.464 -0.223 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147409847 830337214 /nfs/dbraw/zinc/33/72/14/830337214.db2.gz JNOFFNJAEKLXEG-SFHVURJKSA-N 2 0 330.432 -0.081 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611919 830518124 /nfs/dbraw/zinc/51/81/24/830518124.db2.gz RWCPOFSPDILNFY-HNNXBMFYSA-N 2 0 344.459 -0.246 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#Cc2ccccc2)C1 ZINC001151048727 831015054 /nfs/dbraw/zinc/01/50/54/831015054.db2.gz DXBNKAFCHZUVGY-QGZVFWFLSA-N 2 0 342.443 -0.188 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156977 831034479 /nfs/dbraw/zinc/03/44/79/831034479.db2.gz INDHYGHAJGNXIC-CABCVRRESA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCCCOC)CC1 ZINC001152334415 831152874 /nfs/dbraw/zinc/15/28/74/831152874.db2.gz FGEQWYPXUUGERP-UHFFFAOYSA-N 2 0 338.452 -0.810 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091739 831626829 /nfs/dbraw/zinc/62/68/29/831626829.db2.gz HPCFDWXJPVXDLM-MAUKXSAKSA-N 2 0 341.415 -0.491 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158384693 831649982 /nfs/dbraw/zinc/64/99/82/831649982.db2.gz XQCLPHQFYUKAJI-MJBXVCDLSA-N 2 0 347.337 -0.119 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159608865 831766363 /nfs/dbraw/zinc/76/63/63/831766363.db2.gz DBZUXDAIGCFPSK-KRWDZBQOSA-N 2 0 349.479 -0.966 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164535808 832195164 /nfs/dbraw/zinc/19/51/64/832195164.db2.gz GNDSJQYMBVJWKT-GJZGRUSLSA-N 2 0 340.468 -0.118 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168145938 832399732 /nfs/dbraw/zinc/39/97/32/832399732.db2.gz BPRRFBPYOXNKMC-HUUCEWRRSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C1=O ZINC001171205200 832550533 /nfs/dbraw/zinc/55/05/33/832550533.db2.gz QMYYJVGUFGBZQN-CQSZACIVSA-N 2 0 326.441 -0.553 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171363894 832558777 /nfs/dbraw/zinc/55/87/77/832558777.db2.gz YGHRZOVTSUFCAO-ZDUSSCGKSA-N 2 0 331.420 -0.005 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160391 832660084 /nfs/dbraw/zinc/66/00/84/832660084.db2.gz CXLJJJRJVAZNEB-HUUCEWRRSA-N 2 0 338.452 -0.812 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986079 832725948 /nfs/dbraw/zinc/72/59/48/832725948.db2.gz DFLRULOONWUVDQ-ZDUSSCGKSA-N 2 0 341.456 -0.177 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@H](O)COC)C2)CC1 ZINC001194247327 835059594 /nfs/dbraw/zinc/05/95/94/835059594.db2.gz WPHNZEUKNIGOMY-IRXDYDNUSA-N 2 0 337.464 -0.128 20 30 EBEDRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001201430021 836145034 /nfs/dbraw/zinc/14/50/34/836145034.db2.gz LDUHAIGDFIIESG-KBPBESRZSA-N 2 0 339.440 -0.827 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201688910 836176909 /nfs/dbraw/zinc/17/69/09/836176909.db2.gz UXEKXDDAWAFFHD-HNNXBMFYSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203329836 836420828 /nfs/dbraw/zinc/42/08/28/836420828.db2.gz AGELTMABYUJRKI-CQSZACIVSA-N 2 0 340.468 -0.164 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001203870337 836484283 /nfs/dbraw/zinc/48/42/83/836484283.db2.gz ZSDWCABYOXIKOG-UHFFFAOYSA-N 2 0 349.435 -0.893 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206872578 836685757 /nfs/dbraw/zinc/68/57/57/836685757.db2.gz KNAUEDMPPMXIOU-OAHLLOKOSA-N 2 0 335.452 -0.204 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208260714 836963443 /nfs/dbraw/zinc/96/34/43/836963443.db2.gz CKGZHUDZHNPLSC-UONOGXRCSA-N 2 0 341.431 -0.113 20 30 EBEDRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001327925864 840550180 /nfs/dbraw/zinc/55/01/80/840550180.db2.gz PNGPKCJTMDNQBC-GJZGRUSLSA-N 2 0 335.452 -0.205 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328206961 840620699 /nfs/dbraw/zinc/62/06/99/840620699.db2.gz FGRYORSSEJZAFK-UHFFFAOYSA-N 2 0 335.448 -0.325 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC#CCOC)CC1 ZINC001332677537 841717065 /nfs/dbraw/zinc/71/70/65/841717065.db2.gz STWQTFLRWVQZPV-SFHVURJKSA-N 2 0 349.475 -0.268 20 30 EBEDRP C#CCN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001336580805 842499135 /nfs/dbraw/zinc/49/91/35/842499135.db2.gz DTTKBRFTPPPMMN-OAHLLOKOSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@H](C)C(=O)NC)C2CC2)CC1 ZINC001670555564 1125808266 /nfs/dbraw/zinc/80/82/66/1125808266.db2.gz ATUWHGKFSCZCHH-CJNGLKHVSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001691184669 1125841475 /nfs/dbraw/zinc/84/14/75/1125841475.db2.gz VPPCADXTTKQWKE-KOMQPUFPSA-N 2 0 345.447 -0.544 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)CC1 ZINC001481940377 1126068480 /nfs/dbraw/zinc/06/84/80/1126068480.db2.gz HFXFHOFFJZWLDW-KRWDZBQOSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC1 ZINC001483794932 1126478326 /nfs/dbraw/zinc/47/83/26/1126478326.db2.gz NEKOMVHQGZMTAB-GFCCVEGCSA-N 2 0 349.435 -0.847 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484012773 1126497442 /nfs/dbraw/zinc/49/74/42/1126497442.db2.gz MKQYCLGPHXTRPM-OAHLLOKOSA-N 2 0 347.463 -0.013 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CCCO)C2)CC1 ZINC001485651456 1126777987 /nfs/dbraw/zinc/77/79/87/1126777987.db2.gz UQZOVQSOHTZISR-DOTOQJQBSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001485700102 1126809960 /nfs/dbraw/zinc/80/99/60/1126809960.db2.gz HESHVZIEPUVQIZ-WKILWMFISA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490702303 1129249973 /nfs/dbraw/zinc/24/99/73/1129249973.db2.gz ZITWIBWEADZQIN-XJKSGUPXSA-N 2 0 334.464 -0.050 20 30 EBEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@](O)(CC#N)C2)C1 ZINC000592148684 377798134 /nfs/dbraw/zinc/79/81/34/377798134.db2.gz ZCRXQYKSKBBYQX-RDJZCZTQSA-N 2 0 338.452 -0.190 20 30 EBEDRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264071636 379243841 /nfs/dbraw/zinc/24/38/41/379243841.db2.gz DIUIGPLSETXTDN-UHFFFAOYSA-N 2 0 346.483 -0.449 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000358563131 380235844 /nfs/dbraw/zinc/23/58/44/380235844.db2.gz QFZRIIHJGSBZEP-UHFFFAOYSA-N 2 0 340.468 -0.163 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@H](COC)C1 ZINC000261778102 649984871 /nfs/dbraw/zinc/98/48/71/649984871.db2.gz FGYQGTZPHNNXIP-CABCVRRESA-N 2 0 327.473 -0.455 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303974663 649993136 /nfs/dbraw/zinc/99/31/36/649993136.db2.gz IEIKVDVQLXVUAP-HNNXBMFYSA-N 2 0 326.489 -0.881 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)[C@@H](C#N)C1 ZINC000912536274 650207020 /nfs/dbraw/zinc/20/70/20/650207020.db2.gz SBHCUNIIHZYNFV-HNNXBMFYSA-N 2 0 333.436 -0.215 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC000945183649 653360108 /nfs/dbraw/zinc/36/01/08/653360108.db2.gz RMSPLQYSFCFAIJ-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC000958247535 722333228 /nfs/dbraw/zinc/33/32/28/722333228.db2.gz AKDSKKVYEGBGGQ-CZUORRHYSA-N 2 0 325.372 -0.077 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000962777487 723322326 /nfs/dbraw/zinc/32/23/26/723322326.db2.gz ORIKHMZIOUFDDX-ARLBYUKCSA-N 2 0 332.448 -0.488 20 30 EBEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2ccnc2)C1=O ZINC000963022765 723366432 /nfs/dbraw/zinc/36/64/32/723366432.db2.gz RRTZVGKTAWCLQY-KNCOVGOOSA-N 2 0 329.404 -0.284 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC000970792739 725328942 /nfs/dbraw/zinc/32/89/42/725328942.db2.gz UBJSUSHVUFJBGI-MRXNPFEDSA-N 2 0 332.448 -0.246 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC000993855348 725954251 /nfs/dbraw/zinc/95/42/51/725954251.db2.gz OPFPQYJYSFNHRI-RHSMWYFYSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC000993854725 725954302 /nfs/dbraw/zinc/95/43/02/725954302.db2.gz HSINMRNLLJUFMT-KRWDZBQOSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC000997362823 726448091 /nfs/dbraw/zinc/44/80/91/726448091.db2.gz CKLJPUDPQXLFPW-INIZCTEOSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC000999903484 726540730 /nfs/dbraw/zinc/54/07/30/726540730.db2.gz MCEBNHAMUMLPRR-YOEHRIQHSA-N 2 0 346.475 -0.144 20 30 EBEDRP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055602137 736401948 /nfs/dbraw/zinc/40/19/48/736401948.db2.gz QXERDUGRSXFNJU-AWEZNQCLSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076018 740685383 /nfs/dbraw/zinc/68/53/83/740685383.db2.gz GPSGDTVTLCHEND-XHSDSOJGSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)C(N)=O)C3)CC1 ZINC001073455456 741617152 /nfs/dbraw/zinc/61/71/52/741617152.db2.gz ILAAZLKLPKUNIK-CQSZACIVSA-N 2 0 332.448 -0.260 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001078227071 743545976 /nfs/dbraw/zinc/54/59/76/743545976.db2.gz HQQXEJYFKFUKQD-QZTJIDSGSA-N 2 0 349.475 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCNC3=O)C2)CC1 ZINC000980477704 805909849 /nfs/dbraw/zinc/90/98/49/805909849.db2.gz JGDNXUSTLQYVRA-JKSUJKDBSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754891 810275969 /nfs/dbraw/zinc/27/59/69/810275969.db2.gz KQIBMCIUTRYRQG-QLFBSQMISA-N 2 0 340.443 -0.148 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551673 810336576 /nfs/dbraw/zinc/33/65/76/810336576.db2.gz WKOITEGFUWKCJC-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NCc2nnc3n2CCC[NH2+]C3)c1 ZINC001219747598 810822296 /nfs/dbraw/zinc/82/22/96/810822296.db2.gz WMOYLPFOYUWKNT-AWEZNQCLSA-N 2 0 339.403 -0.171 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220162145 811004566 /nfs/dbraw/zinc/00/45/66/811004566.db2.gz IBMPGXVLKQSIIY-GUIRCDHDSA-N 2 0 345.465 -0.268 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001036902387 811308249 /nfs/dbraw/zinc/30/82/49/811308249.db2.gz JXNZHSLLYWWJLN-CVEARBPZSA-N 2 0 332.448 -0.260 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@@H]2O)CC1 ZINC001221066212 811360379 /nfs/dbraw/zinc/36/03/79/811360379.db2.gz LGQXLNCSXNRTGX-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223466229 811707959 /nfs/dbraw/zinc/70/79/59/811707959.db2.gz PDXHXVLQCWKNGZ-KRWDZBQOSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001081686185 813401776 /nfs/dbraw/zinc/40/17/76/813401776.db2.gz JQJRBNSFQRFNBM-HZPDHXFCSA-N 2 0 333.436 -0.103 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266066654 813449975 /nfs/dbraw/zinc/44/99/75/813449975.db2.gz DQNSXQSOWPLUPQ-CABCVRRESA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](O)COC)C2)CC1 ZINC001266252156 813491178 /nfs/dbraw/zinc/49/11/78/813491178.db2.gz NYTZUWNZQCKSIK-DLBZAZTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267090213 813757008 /nfs/dbraw/zinc/75/70/08/813757008.db2.gz HREVVMNXIIFRQV-HUUCEWRRSA-N 2 0 332.448 -0.151 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267456679 813901937 /nfs/dbraw/zinc/90/19/37/813901937.db2.gz GHSQRFRTVOMJFN-UHFFFAOYSA-N 2 0 337.424 -0.858 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001267605551 813949384 /nfs/dbraw/zinc/94/93/84/813949384.db2.gz XBSCMLVXWCANES-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286908 814172059 /nfs/dbraw/zinc/17/20/59/814172059.db2.gz NBBQTSPZVWHSLT-CVEARBPZSA-N 2 0 334.464 -0.048 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001269791781 815607234 /nfs/dbraw/zinc/60/72/34/815607234.db2.gz ROQWIUWOLXSMRY-OAHLLOKOSA-N 2 0 347.463 -0.060 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001270604998 815825907 /nfs/dbraw/zinc/82/59/07/815825907.db2.gz UVEMRSCDEFTZNY-AWEZNQCLSA-N 2 0 333.436 -0.687 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001271145567 816002199 /nfs/dbraw/zinc/00/21/99/816002199.db2.gz NDHSVLPXERIVQT-JZXOWHBKSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001271217018 816039622 /nfs/dbraw/zinc/03/96/22/816039622.db2.gz RNHLJXZGWAKPOH-HOCLYGCPSA-N 2 0 334.464 -0.001 20 30 EBEDRP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC001271253911 816053223 /nfs/dbraw/zinc/05/32/23/816053223.db2.gz JJOXBVKEQJFPTR-KBPBESRZSA-N 2 0 339.440 -0.923 20 30 EBEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001271424116 816102881 /nfs/dbraw/zinc/10/28/81/816102881.db2.gz BFLNWGCYERUZJY-UKRRQHHQSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001271426506 816103582 /nfs/dbraw/zinc/10/35/82/816103582.db2.gz MGFJZTDAJLAYKL-LSDHHAIUSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001271502159 816124465 /nfs/dbraw/zinc/12/44/65/816124465.db2.gz ZINYVRVLHLIZTN-QWHCGFSZSA-N 2 0 332.408 -0.191 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001272511537 816452459 /nfs/dbraw/zinc/45/24/59/816452459.db2.gz DHTZCCWYJTZOJR-GJZGRUSLSA-N 2 0 338.452 -0.818 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001272584413 816486214 /nfs/dbraw/zinc/48/62/14/816486214.db2.gz NPZGLHWUVLHIIC-WFASDCNBSA-N 2 0 348.451 -0.414 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN[C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001272584412 816486302 /nfs/dbraw/zinc/48/63/02/816486302.db2.gz NPZGLHWUVLHIIC-SWLSCSKDSA-N 2 0 348.451 -0.414 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088211950 816649773 /nfs/dbraw/zinc/64/97/73/816649773.db2.gz HVGVYDNZRRLNFH-OIISXLGYSA-N 2 0 346.475 -0.014 20 30 EBEDRP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001275422137 817213936 /nfs/dbraw/zinc/21/39/36/817213936.db2.gz AZOLSNYTIIYPEP-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@H](O)COC)CC1 ZINC001276011138 817338708 /nfs/dbraw/zinc/33/87/08/817338708.db2.gz MADJNDGERNDWGI-HOCLYGCPSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC001276839572 817481688 /nfs/dbraw/zinc/48/16/88/817481688.db2.gz KLWBMFUHMIVUAT-HRCADAONSA-N 2 0 343.431 -0.151 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CC[N@@H+]1C ZINC001278644527 817787887 /nfs/dbraw/zinc/78/78/87/817787887.db2.gz HBBJUDOHBMOTCO-MGPQQGTHSA-N 2 0 335.452 -0.207 20 30 EBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728670 817799736 /nfs/dbraw/zinc/79/97/36/817799736.db2.gz RSEICNXXLOXJEP-CQSZACIVSA-N 2 0 338.452 -0.505 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882611 817882520 /nfs/dbraw/zinc/88/25/20/817882520.db2.gz KOWQKOIYLDNEPQ-JKSUJKDBSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279372618 817922278 /nfs/dbraw/zinc/92/22/78/817922278.db2.gz YYAMWXVSQZKYGO-XHSDSOJGSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001282497391 818441869 /nfs/dbraw/zinc/44/18/69/818441869.db2.gz NOTQEJGQQRVVDP-HOCLYGCPSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282958560 818549127 /nfs/dbraw/zinc/54/91/27/818549127.db2.gz PHGCNCGWXPRDPK-ARFHVFGLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001284180948 819126885 /nfs/dbraw/zinc/12/68/85/819126885.db2.gz UOTQMBWIIJGVFK-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466775 819204731 /nfs/dbraw/zinc/20/47/31/819204731.db2.gz XZDYLRVTAOPMHR-UHFFFAOYSA-N 2 0 340.468 -0.474 20 30 EBEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001098768753 819359575 /nfs/dbraw/zinc/35/95/75/819359575.db2.gz VZPJGLXSZGUWCM-INIZCTEOSA-N 2 0 348.451 -0.257 20 30 EBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892629 819845512 /nfs/dbraw/zinc/84/55/12/819845512.db2.gz MNNIHPMTDCCLDJ-JKSUJKDBSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099893093 819847776 /nfs/dbraw/zinc/84/77/76/819847776.db2.gz UMEUKVMEKKENIL-CVEARBPZSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCC)C[C@H]2O)CC1 ZINC001100122001 820251771 /nfs/dbraw/zinc/25/17/71/820251771.db2.gz JYKAIBUFKFRWDW-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287017 821059820 /nfs/dbraw/zinc/05/98/20/821059820.db2.gz IWWAMWNTXPRWRN-HUUCEWRRSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102366939 821080197 /nfs/dbraw/zinc/08/01/97/821080197.db2.gz VVYBSWYZYPMOEX-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513214 821134318 /nfs/dbraw/zinc/13/43/18/821134318.db2.gz AJMDAEJMXVYONR-HZPDHXFCSA-N 2 0 325.453 -0.102 20 30 EBEDRP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 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TTYVXROXRNEGHD-IJEWVQPXSA-N 2 0 334.464 -0.111 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129454106 828620907 /nfs/dbraw/zinc/62/09/07/828620907.db2.gz DRVQWALDNWERTE-YPMHNXCESA-N 2 0 339.440 -0.567 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129891966 828689370 /nfs/dbraw/zinc/68/93/70/828689370.db2.gz ATRSNAIKZNRXES-OWCLPIDISA-N 2 0 330.436 -0.017 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123692 828736562 /nfs/dbraw/zinc/73/65/62/828736562.db2.gz YTFDNWBMSJRDMX-XHSDSOJGSA-N 2 0 346.435 -0.779 20 30 EBEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123299 828736623 /nfs/dbraw/zinc/73/66/23/828736623.db2.gz MUSWUZPBQPOTFJ-XHSDSOJGSA-N 2 0 348.451 -0.226 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230462 828761288 /nfs/dbraw/zinc/76/12/88/828761288.db2.gz LXFJULMPTAIBFB-UHFFFAOYSA-N 2 0 326.441 -0.647 20 30 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CN(CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)c1cc[nH+]cc1 ZINC001183781983 833305991 /nfs/dbraw/zinc/30/59/91/833305991.db2.gz AYHQDGDFXZKQIU-CQSZACIVSA-N 2 0 344.419 -0.262 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520423 829152839 /nfs/dbraw/zinc/15/28/39/829152839.db2.gz XSIRAUCOWYXCDU-NWPKHEMWSA-N 2 0 348.447 -0.658 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132997150 829569278 /nfs/dbraw/zinc/56/92/78/829569278.db2.gz CTOVXDZGJWMRMB-LBPRGKRZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001133311533 829619807 /nfs/dbraw/zinc/61/98/07/829619807.db2.gz ZUUVKUTYRDPJML-JKSUJKDBSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899585 829696048 /nfs/dbraw/zinc/69/60/48/829696048.db2.gz NKORSQHWUJLYLW-UHFFFAOYSA-N 2 0 341.456 -0.318 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126291 829729208 /nfs/dbraw/zinc/72/92/08/829729208.db2.gz JNUUEXHEDDJFQS-SJORKVTESA-N 2 0 342.443 -0.213 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706968 830014053 /nfs/dbraw/zinc/01/40/53/830014053.db2.gz PEBZFFOZTHUHFO-UHFFFAOYSA-N 2 0 339.440 -0.564 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001211233898 837413128 /nfs/dbraw/zinc/41/31/28/837413128.db2.gz RHNDIQNGURPVMR-KRWDZBQOSA-N 2 0 344.459 -0.338 20 30 EBEDRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CC(=O)NCC#N ZINC001135923102 830046332 /nfs/dbraw/zinc/04/63/32/830046332.db2.gz GWKMWFWJEICAMH-OLZOCXBDSA-N 2 0 327.429 -0.923 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924418 830047260 /nfs/dbraw/zinc/04/72/60/830047260.db2.gz SCZSVBGJTONXTL-KGLIPLIRSA-N 2 0 328.457 -0.260 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301295 830317545 /nfs/dbraw/zinc/31/75/45/830317545.db2.gz SAOLCYQOGQJJJN-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)c1 ZINC001147848044 830421356 /nfs/dbraw/zinc/42/13/56/830421356.db2.gz DDQWCORUDPKZNT-UHFFFAOYSA-N 2 0 346.431 -0.110 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655319 830524981 /nfs/dbraw/zinc/52/49/81/830524981.db2.gz MDUMIJXIEGHAPJ-GFCCVEGCSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754995 830537459 /nfs/dbraw/zinc/53/74/59/830537459.db2.gz MGEIUIWYYFCJFU-OAHLLOKOSA-N 2 0 332.448 -0.246 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCN(CC=C)C2=O)CC1 ZINC001152324400 831152101 /nfs/dbraw/zinc/15/21/01/831152101.db2.gz UDNNYYAFAOJRGN-INIZCTEOSA-N 2 0 332.448 -0.176 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001152334500 831152735 /nfs/dbraw/zinc/15/27/35/831152735.db2.gz FRYALZSLZOZNAI-MRXNPFEDSA-N 2 0 333.436 -0.705 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001152330495 831152938 /nfs/dbraw/zinc/15/29/38/831152938.db2.gz PVTFLAYQTMXHQV-AWEZNQCLSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340600 831154154 /nfs/dbraw/zinc/15/41/54/831154154.db2.gz SOPKPCUXNGNDJD-UHFFFAOYSA-N 2 0 339.440 -0.420 20 30 EBEDRP N#Cc1nccnc1N1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160635699 831872657 /nfs/dbraw/zinc/87/26/57/831872657.db2.gz BSEWOEZWFGXERU-CQSZACIVSA-N 2 0 329.408 -0.676 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889447 831903850 /nfs/dbraw/zinc/90/38/50/831903850.db2.gz JRXUOEOPCBMDER-CHWSQXEVSA-N 2 0 341.456 -0.177 20 30 EBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161492868 831966043 /nfs/dbraw/zinc/96/60/43/831966043.db2.gz XXTIPXJABKPTEX-ZDUSSCGKSA-N 2 0 337.424 -0.958 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165484383 832222911 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BHUQJMYGQORSKV-MGPQQGTHSA-N 2 0 326.441 -0.820 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200115515 835911207 /nfs/dbraw/zinc/91/12/07/835911207.db2.gz NAPJNEKIRRPVDV-CABCVRRESA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201319865 836128296 /nfs/dbraw/zinc/12/82/96/836128296.db2.gz VLVJLTSBHUDJKW-CABCVRRESA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800164 836193804 /nfs/dbraw/zinc/19/38/04/836193804.db2.gz FDNYDFVOMNCABJ-HNNXBMFYSA-N 2 0 338.452 -0.715 20 30 EBEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281351 836635192 /nfs/dbraw/zinc/63/51/92/836635192.db2.gz JPNSLJVRGIKXTB-UKRRQHHQSA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872726 836686232 /nfs/dbraw/zinc/68/62/32/836686232.db2.gz RBWDDUOLDXHQMV-MRXNPFEDSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2cnc(C)nc2)CC1 ZINC001320314423 838755417 /nfs/dbraw/zinc/75/54/17/838755417.db2.gz CTAVQAHTWVQUJX-KRWDZBQOSA-N 2 0 345.447 -0.303 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001320315584 838756597 /nfs/dbraw/zinc/75/65/97/838756597.db2.gz JLNJFUAVPFLBBW-IRXDYDNUSA-N 2 0 337.464 -0.033 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001324880130 839729600 /nfs/dbraw/zinc/72/96/00/839729600.db2.gz KMAHWQQLYOYTQF-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437923 839866481 /nfs/dbraw/zinc/86/64/81/839866481.db2.gz MRWBOLBMHQQLJN-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2)CC1 ZINC001342134893 843142092 /nfs/dbraw/zinc/14/20/92/843142092.db2.gz KICVVNZQQZZUDN-DZGCQCFKSA-N 2 0 349.435 -0.978 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001345958926 843465574 /nfs/dbraw/zinc/46/55/74/843465574.db2.gz PWARXAPVLAWYEG-UHFFFAOYSA-N 2 0 338.452 -0.281 20 30 EBEDRP C=C[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349368871 843893273 /nfs/dbraw/zinc/89/32/73/843893273.db2.gz LKAUIEQCVGVTRN-KFWWJZLASA-N 2 0 340.468 -0.499 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117644 1125925615 /nfs/dbraw/zinc/92/56/15/1125925615.db2.gz CJOWEYXPIXWSCX-LSDHHAIUSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481504671 1126005124 /nfs/dbraw/zinc/00/51/24/1126005124.db2.gz NQCJLDBFPRUGFD-OAHLLOKOSA-N 2 0 332.448 -0.388 20 30 EBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001691601939 1126324843 /nfs/dbraw/zinc/32/48/43/1126324843.db2.gz OEMGDZUBCQTGNW-RRFJBIMHSA-N 2 0 335.452 -0.015 20 30 EBEDRP COCC#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691606857 1126325222 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330.432 -0.586 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000571941303 381628948 /nfs/dbraw/zinc/62/89/48/381628948.db2.gz AWUIGJOFCVKRDS-CABCVRRESA-N 2 0 335.452 -0.020 20 30 EBEDRP C=C1[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000900306228 582766352 /nfs/dbraw/zinc/76/63/52/582766352.db2.gz PRWPTUPGRIKVTF-FZKCQIBNSA-N 2 0 334.464 -0.076 20 30 EBEDRP C[NH+]=C(NCCC[N@@H+]1CCCO[C@@H](C)C1)NCCN1CCOCC1 ZINC000849104419 584166020 /nfs/dbraw/zinc/16/60/20/584166020.db2.gz PNUIUGYPRIPUNM-INIZCTEOSA-N 2 0 341.500 -0.016 20 30 EBEDRP C#CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000886581133 584666014 /nfs/dbraw/zinc/66/60/14/584666014.db2.gz KPRAYNRKPKVGHV-OAHLLOKOSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCN1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)C1 ZINC000890362627 584694157 /nfs/dbraw/zinc/69/41/57/584694157.db2.gz FUWUARDAMLODQJ-LSDHHAIUSA-N 2 0 336.436 -0.170 20 30 EBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261931396 649985473 /nfs/dbraw/zinc/98/54/73/649985473.db2.gz WIKKCCDLPATCPY-OLZOCXBDSA-N 2 0 331.486 -0.344 20 30 EBEDRP CCOC(=O)C1CCN(C(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1 ZINC000262785733 649988065 /nfs/dbraw/zinc/98/80/65/649988065.db2.gz MHEPWCGMYHYWMC-HNNXBMFYSA-N 2 0 337.468 -0.163 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NCC(C)(C)N1CCOCC1 ZINC000262907901 649988165 /nfs/dbraw/zinc/98/81/65/649988165.db2.gz RKLHCNAJLJLQJY-OAHLLOKOSA-N 2 0 340.516 -0.492 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303903639 649993183 /nfs/dbraw/zinc/99/31/83/649993183.db2.gz YMIBCMQZIZKIPI-INIZCTEOSA-N 2 0 340.516 -0.633 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303903645 649993302 /nfs/dbraw/zinc/99/33/02/649993302.db2.gz YMIBCMQZIZKIPI-MRXNPFEDSA-N 2 0 340.516 -0.633 20 30 EBEDRP C=CCN1CC(N2CCN(C(=O)[C@@H](Cn3cccn3)N(C)C)CC2)C1 ZINC000941436888 652737578 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/nfs/dbraw/zinc/95/48/99/725954899.db2.gz CCPDVGNWQZNWSJ-OAHLLOKOSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC000999975874 726546302 /nfs/dbraw/zinc/54/63/02/726546302.db2.gz RMCKFDRDHFVZPQ-LSDHHAIUSA-N 2 0 332.408 -0.895 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001030019227 730535808 /nfs/dbraw/zinc/53/58/08/730535808.db2.gz YMFCRSHMBFADKA-JYJNAYRXSA-N 2 0 332.448 -0.105 20 30 EBEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463712 734207758 /nfs/dbraw/zinc/20/77/58/734207758.db2.gz OIQNLPZBTNHBDN-XJADACSNSA-N 2 0 335.448 -0.071 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCF)[C@@H](n3ccnn3)C2)CC1 ZINC001070333503 740789553 /nfs/dbraw/zinc/78/95/53/740789553.db2.gz BOUBQBYIUAEVQJ-CVEARBPZSA-N 2 0 348.426 -0.066 20 30 EBEDRP CCO[C@H](CC[NH+](C)C)CNC(NCCN1CCOCC1)=[NH+]C ZINC000176492846 803756578 /nfs/dbraw/zinc/75/65/78/803756578.db2.gz DUVYZILWOCFKGQ-OAHLLOKOSA-N 2 0 329.489 -0.160 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC001002144503 809686501 /nfs/dbraw/zinc/68/65/01/809686501.db2.gz HTUNGPMUNAJPMD-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214780075 810280590 /nfs/dbraw/zinc/28/05/90/810280590.db2.gz JRDFSIOLGMGIJV-KFWWJZLASA-N 2 0 335.452 -0.063 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184560 810312877 /nfs/dbraw/zinc/31/28/77/810312877.db2.gz JMPPGNVLPZJHEM-LDBBTLTOSA-N 2 0 347.459 -0.064 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC)C2)CC1 ZINC001216837808 810394552 /nfs/dbraw/zinc/39/45/52/810394552.db2.gz SGZMMIIYSZGLSL-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777810 810838473 /nfs/dbraw/zinc/83/84/73/810838473.db2.gz RCWUOMFGGLZCSI-NEPJUHHUSA-N 2 0 331.438 -0.659 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225426530 811808750 /nfs/dbraw/zinc/80/87/50/811808750.db2.gz BJIQLURQRJLQDY-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCN1CCN(C)C2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)C1=O ZINC001246739094 812584824 /nfs/dbraw/zinc/58/48/24/812584824.db2.gz IVVGREZLZNVPSP-MRXNPFEDSA-N 2 0 347.507 -0.125 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H]1C[NH+](C)C ZINC001261862970 813000044 /nfs/dbraw/zinc/00/00/44/813000044.db2.gz NBEZAXQSRLOKJC-HZPDHXFCSA-N 2 0 349.479 -0.054 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001265449400 813326246 /nfs/dbraw/zinc/32/62/46/813326246.db2.gz LNISADPKKPHLOL-HNNXBMFYSA-N 2 0 348.451 -0.449 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266067140 813449383 /nfs/dbraw/zinc/44/93/83/813449383.db2.gz IZJMSJMGGNKKNF-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222394 813830103 /nfs/dbraw/zinc/83/01/03/813830103.db2.gz XZHLNLZMDBGKGV-HZPDHXFCSA-N 2 0 333.436 -0.103 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001267383998 813868421 /nfs/dbraw/zinc/86/84/21/813868421.db2.gz HOSWMHNHGZFSEZ-UHFFFAOYSA-N 2 0 339.440 -0.470 20 30 EBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267390925 813873117 /nfs/dbraw/zinc/87/31/17/813873117.db2.gz PXDIOWTVCQKVOE-UHFFFAOYSA-N 2 0 339.440 -0.967 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267530931 813922744 /nfs/dbraw/zinc/92/27/44/813922744.db2.gz HXOGRMUAJHYAHP-HOCLYGCPSA-N 2 0 347.463 -0.204 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001267587666 813942785 /nfs/dbraw/zinc/94/27/85/813942785.db2.gz BOJOEPCKSYPRGM-CQSZACIVSA-N 2 0 335.452 -0.252 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148435 814552767 /nfs/dbraw/zinc/55/27/67/814552767.db2.gz CKSXEPQRGZKLNF-CABCVRRESA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001269468119 814704308 /nfs/dbraw/zinc/70/43/08/814704308.db2.gz GXTGALLTCBZEIW-GFCCVEGCSA-N 2 0 337.424 -0.669 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269615818 814746620 /nfs/dbraw/zinc/74/66/20/814746620.db2.gz ZSSFFWRHYGYRLU-LPHOPBHVSA-N 2 0 346.475 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001269646584 814755825 /nfs/dbraw/zinc/75/58/25/814755825.db2.gz YYPACDVWEYINQF-KBXCAEBGSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001270437055 815778730 /nfs/dbraw/zinc/77/87/30/815778730.db2.gz VNUZINHAXINDGF-HNNXBMFYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001086558304 816378864 /nfs/dbraw/zinc/37/88/64/816378864.db2.gz AEVSMOJVYHEZRK-FVQBIDKESA-N 2 0 332.448 -0.296 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176332 816600573 /nfs/dbraw/zinc/60/05/73/816600573.db2.gz SPBPOEJOOXWJRZ-OLZOCXBDSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C2)CC1 ZINC001274297856 816926318 /nfs/dbraw/zinc/92/63/18/816926318.db2.gz LJZORAPJVQHHLJ-HOCLYGCPSA-N 2 0 345.447 -0.592 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@H]2CCNC2=O)C2CC2)CC1 ZINC001276712730 817457860 /nfs/dbraw/zinc/45/78/60/817457860.db2.gz ZJSDHKSKMKPARO-HOTGVXAUSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001277094513 817519902 /nfs/dbraw/zinc/51/99/02/817519902.db2.gz XQMFGGCAUJMKGY-UONOGXRCSA-N 2 0 343.431 -0.178 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@H]3CCN(C)C3=O)CC2)CC1 ZINC001277258876 817540175 /nfs/dbraw/zinc/54/01/75/817540175.db2.gz DEVJWFQXBQNSJZ-HNNXBMFYSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001278017673 817677431 /nfs/dbraw/zinc/67/74/31/817677431.db2.gz MQLHCJSMGPGDNW-CABCVRRESA-N 2 0 338.452 -0.859 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]Cc2cnnn2C)CC1 ZINC001279912162 818004075 /nfs/dbraw/zinc/00/40/75/818004075.db2.gz RUJIPGAKJIWIDB-UHFFFAOYSA-N 2 0 348.451 -0.929 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283712810 818913754 /nfs/dbraw/zinc/91/37/54/818913754.db2.gz CSGNVRDZBNCQEW-QWHCGFSZSA-N 2 0 339.440 -0.614 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321666 819184304 /nfs/dbraw/zinc/18/43/04/819184304.db2.gz CDYSJISQTOAXBV-LSDHHAIUSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501896 819258757 /nfs/dbraw/zinc/25/87/57/819258757.db2.gz KFABEAFEDIMZSP-JKSUJKDBSA-N 2 0 325.453 -0.128 20 30 EBEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522823 820454577 /nfs/dbraw/zinc/45/45/77/820454577.db2.gz IDUUQPFDUKXVBS-WCWCZOKXSA-N 2 0 347.459 -0.016 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100681097 820510263 /nfs/dbraw/zinc/51/02/63/820510263.db2.gz VZAVAUVCTWBRRZ-UHFFFAOYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001101025100 820653853 /nfs/dbraw/zinc/65/38/53/820653853.db2.gz VPPCADXTTKQWKE-UHFFFAOYSA-N 2 0 345.447 -0.544 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312518 821068432 /nfs/dbraw/zinc/06/84/32/821068432.db2.gz BERGCFMVZMYSSY-GDBMZVCRSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366734 821079715 /nfs/dbraw/zinc/07/97/15/821079715.db2.gz OQIFNXYSUFCKGT-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001316637677 821824123 /nfs/dbraw/zinc/82/41/23/821824123.db2.gz PJCYRCLRPZDCRD-IIAWOOMASA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317111938 822006024 /nfs/dbraw/zinc/00/60/24/822006024.db2.gz UVZGZKFUSFVSCR-GASCZTMLSA-N 2 0 332.448 -0.151 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106666571 822307995 /nfs/dbraw/zinc/30/79/95/822307995.db2.gz PCGLTQUPVJQVGS-RRFJBIMHSA-N 2 0 335.452 -0.348 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531619 828630922 /nfs/dbraw/zinc/63/09/22/828630922.db2.gz BTLVDLSMBNDPSZ-UHFFFAOYSA-N 2 0 325.413 -0.812 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821199 824442034 /nfs/dbraw/zinc/44/20/34/824442034.db2.gz DTCOIFDNFMBFLA-JYJNAYRXSA-N 2 0 332.448 -0.199 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130085886 828729630 /nfs/dbraw/zinc/72/96/30/828729630.db2.gz CAPLMQKTVSEVMM-CABCVRRESA-N 2 0 334.424 -0.779 20 30 EBEDRP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234727 828763111 /nfs/dbraw/zinc/76/31/11/828763111.db2.gz JDBMDEPYBFOHQY-KBPBESRZSA-N 2 0 348.451 -0.142 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112578722 825458893 /nfs/dbraw/zinc/45/88/93/825458893.db2.gz DCCQVMFDEXAXKW-YJBOKZPZSA-N 2 0 347.463 -0.060 20 30 EBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001179779427 833009662 /nfs/dbraw/zinc/00/96/62/833009662.db2.gz OPHMGJRZMZEWGG-GJZGRUSLSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179936659 833028310 /nfs/dbraw/zinc/02/83/10/833028310.db2.gz WANRVKRRYHFNTP-ILXRZTDVSA-N 2 0 338.452 -0.719 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125781 826427762 /nfs/dbraw/zinc/42/77/62/826427762.db2.gz BWPDDDNGAYZTTO-NYTXWWLZSA-N 2 0 338.452 -0.698 20 30 EBEDRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122021619 827505287 /nfs/dbraw/zinc/50/52/87/827505287.db2.gz BQVKNGCPCMGVLT-UHFFFAOYSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=C(C)CN1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131392815 829128513 /nfs/dbraw/zinc/12/85/13/829128513.db2.gz DWNQALYHFXVBCW-UHFFFAOYSA-N 2 0 340.468 -0.209 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525839 829154781 /nfs/dbraw/zinc/15/47/81/829154781.db2.gz NAUNTURLFKUFPE-XCCIUEIHSA-N 2 0 336.436 -0.754 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021201 829713223 /nfs/dbraw/zinc/71/32/23/829713223.db2.gz UXUXUORTRRHSCK-GJZGRUSLSA-N 2 0 340.468 -0.116 20 30 EBEDRP C#CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143915672 830156787 /nfs/dbraw/zinc/15/67/87/830156787.db2.gz HTZIONGLKJSYQE-IICXDKKESA-N 2 0 341.452 -0.085 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147773990 830410364 /nfs/dbraw/zinc/41/03/64/830410364.db2.gz OLNOBANNRDKOKD-LSDHHAIUSA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148577869 830512409 /nfs/dbraw/zinc/51/24/09/830512409.db2.gz HEXYTZDIPYUJBN-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N)CC1 ZINC001152334616 831152945 /nfs/dbraw/zinc/15/29/45/831152945.db2.gz KSNWQVUNDCCMIO-UHFFFAOYSA-N 2 0 347.463 -0.200 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)COCCOC)CC1 ZINC001152330902 831153291 /nfs/dbraw/zinc/15/32/91/831153291.db2.gz WTGPJWXUKYBYNI-MRXNPFEDSA-N 2 0 341.452 -0.939 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791303 831430429 /nfs/dbraw/zinc/43/04/29/831430429.db2.gz VQQYPLZYMXVBPZ-LBPRGKRZSA-N 2 0 325.413 -0.812 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576262 831667046 /nfs/dbraw/zinc/66/70/46/831667046.db2.gz AXWBTLIRGHCUMB-WYUUTHIRSA-N 2 0 349.428 -0.772 20 30 EBEDRP C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159382452 831749144 /nfs/dbraw/zinc/74/91/44/831749144.db2.gz RGBKFORDIOMDQC-AWEZNQCLSA-N 2 0 345.447 -0.184 20 30 EBEDRP N#Cc1ccc([C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)N2CC[NH2+]CC2)cc1 ZINC001160655413 831876656 /nfs/dbraw/zinc/87/66/56/831876656.db2.gz LAHNDHULXHLVPG-BRWVUGGUSA-N 2 0 343.431 -0.575 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161407154 831954113 /nfs/dbraw/zinc/95/41/13/831954113.db2.gz CRAAHOYNQDRZOR-UHFFFAOYSA-N 2 0 331.420 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(=O)NC)CC2)CC1 ZINC001168308427 832411670 /nfs/dbraw/zinc/41/16/70/832411670.db2.gz QQFSRESLCYMAES-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161798 832660458 /nfs/dbraw/zinc/66/04/58/832660458.db2.gz RSIPXHQRSQYPQA-GJZGRUSLSA-N 2 0 340.468 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001188090249 833999684 /nfs/dbraw/zinc/99/96/84/833999684.db2.gz DDGZWFHTVSYIHL-OAHLLOKOSA-N 2 0 341.477 -0.433 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001188090020 833999928 /nfs/dbraw/zinc/99/99/28/833999928.db2.gz AMDZHZQFPAFGHL-MRXNPFEDSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028170 834594131 /nfs/dbraw/zinc/59/41/31/834594131.db2.gz CWDFNGXISVDQHJ-GJZGRUSLSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193498563 834891308 /nfs/dbraw/zinc/89/13/08/834891308.db2.gz FMJCTXGZEFVJLN-LSDHHAIUSA-N 2 0 332.448 -0.247 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200116069 835911263 /nfs/dbraw/zinc/91/12/63/835911263.db2.gz SLCYSPCXISNBID-GJZGRUSLSA-N 2 0 338.452 -0.410 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200657767 836010965 /nfs/dbraw/zinc/01/09/65/836010965.db2.gz AVCJSLHKBQDZEE-HOTGVXAUSA-N 2 0 348.447 -0.820 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201319870 836128067 /nfs/dbraw/zinc/12/80/67/836128067.db2.gz VLVJLTSBHUDJKW-LSDHHAIUSA-N 2 0 338.452 -0.717 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C23CCC3)CC1 ZINC001203313056 836416809 /nfs/dbraw/zinc/41/68/09/836416809.db2.gz WMBLFXCGXJCPGY-KBPBESRZSA-N 2 0 347.463 -0.015 20 30 EBEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576951 836448801 /nfs/dbraw/zinc/44/88/01/836448801.db2.gz LTQQITRYLKJHLW-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641018 836456928 /nfs/dbraw/zinc/45/69/28/836456928.db2.gz MBIDHJOELQMIBX-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H](O)COC)CC2)CC1 ZINC001203869678 836484085 /nfs/dbraw/zinc/48/40/85/836484085.db2.gz MACKWBARZTWGHB-QGZVFWFLSA-N 2 0 337.464 -0.081 20 30 EBEDRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1)C1CC1 ZINC001205462394 836568377 /nfs/dbraw/zinc/56/83/77/836568377.db2.gz WRMWYZCRKPEFJY-MRXNPFEDSA-N 2 0 335.452 -0.205 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210667565 837316666 /nfs/dbraw/zinc/31/66/66/837316666.db2.gz HAPILHRYOHGJSZ-CABCVRRESA-N 2 0 340.468 -0.164 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001319283722 838098645 /nfs/dbraw/zinc/09/86/45/838098645.db2.gz FCEBMVWBWPYEHZ-AWEZNQCLSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575672 838152150 /nfs/dbraw/zinc/15/21/50/838152150.db2.gz ZIERVMXITKYTPF-ZDUSSCGKSA-N 2 0 339.440 -0.470 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001320317826 838757893 /nfs/dbraw/zinc/75/78/93/838757893.db2.gz RXTBEPWHGNOXNU-KRWDZBQOSA-N 2 0 347.463 -0.360 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001322307211 839170395 /nfs/dbraw/zinc/17/03/95/839170395.db2.gz OZZIVUFTWGAKJQ-GDBMZVCRSA-N 2 0 325.453 -0.225 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322947849 839304287 /nfs/dbraw/zinc/30/42/87/839304287.db2.gz ZHMRXYAIAHPMAM-OAHLLOKOSA-N 2 0 337.468 -0.885 20 30 EBEDRP C#CCN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CCO)CC1 ZINC001324397901 839648859 /nfs/dbraw/zinc/64/88/59/839648859.db2.gz VNUHDRRTJYPLBL-UHFFFAOYSA-N 2 0 347.463 -0.023 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325138635 839795778 /nfs/dbraw/zinc/79/57/78/839795778.db2.gz UPKRSMOCYPJOKY-SFHVURJKSA-N 2 0 337.464 -0.079 20 30 EBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326980970 840259670 /nfs/dbraw/zinc/25/96/70/840259670.db2.gz ZPWUGIOERHITHO-IAGOWNOFSA-N 2 0 335.448 -0.205 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001327593345 840468180 /nfs/dbraw/zinc/46/81/80/840468180.db2.gz WHRDXMYEJHKVCR-MRXNPFEDSA-N 2 0 326.441 -0.817 20 30 EBEDRP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CN(C)CCO2)CCOCC1 ZINC001327628426 840478872 /nfs/dbraw/zinc/47/88/72/840478872.db2.gz SMZBJILXVKVKPI-OAHLLOKOSA-N 2 0 339.436 -0.778 20 30 EBEDRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001327908367 840545710 /nfs/dbraw/zinc/54/57/10/840545710.db2.gz ZLHHJUHLZOTATG-KBPBESRZSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCCN1CCN(c2nnnn2CCCN2CCOCC2)CC1 ZINC001332953845 841770200 /nfs/dbraw/zinc/77/02/00/841770200.db2.gz KWHWBOZMTGTABI-UHFFFAOYSA-N 2 0 333.440 -0.459 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335570621 842306005 /nfs/dbraw/zinc/30/60/05/842306005.db2.gz PRUQHZMRIJJEOZ-AWEZNQCLSA-N 2 0 336.436 -0.074 20 30 EBEDRP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)n1ccnc1 ZINC001691117086 1125835382 /nfs/dbraw/zinc/83/53/82/1125835382.db2.gz IJIOUVZDLJVOOY-MCIONIFRSA-N 2 0 332.408 -0.042 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC#CCOC)C1 ZINC001484220953 1126530642 /nfs/dbraw/zinc/53/06/42/1126530642.db2.gz GMLUGLCKHXRZLR-RDJZCZTQSA-N 2 0 343.443 -0.131 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC(=O)NC)C2)CC1 ZINC001484356274 1126565119 /nfs/dbraw/zinc/56/51/19/1126565119.db2.gz BQCJWXZLGBMGBV-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cncc2C)CC1 ZINC001484718360 1126625922 /nfs/dbraw/zinc/62/59/22/1126625922.db2.gz OVSSTSVJZWMNKQ-HNNXBMFYSA-N 2 0 331.420 -0.088 20 30 EBEDRP COCC#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001490476240 1129185767 /nfs/dbraw/zinc/18/57/67/1129185767.db2.gz CTCPFMLLRZJJKH-QGZVFWFLSA-N 2 0 336.480 -0.288 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490664764 1129243049 /nfs/dbraw/zinc/24/30/49/1129243049.db2.gz MKFLCFURHRAZFH-HRCADAONSA-N 2 0 334.464 -0.050 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280665228 1129276563 /nfs/dbraw/zinc/27/65/63/1129276563.db2.gz AGSAQAGDUJNIRQ-HUUCEWRRSA-N 2 0 338.452 -0.410 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491049646 1130307509 /nfs/dbraw/zinc/30/75/09/1130307509.db2.gz BWMHKSOWYPBVCR-RWMBFGLXSA-N 2 0 339.440 -0.425 20 30 EBEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001491064564 1130310133 /nfs/dbraw/zinc/31/01/33/1130310133.db2.gz XTXOEJSBWMFRJM-IYBDPMFKSA-N 2 0 333.436 -0.055 20 30 EBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000491808555 379629641 /nfs/dbraw/zinc/62/96/41/379629641.db2.gz WHMOYDXQLOQLBN-OAHLLOKOSA-N 2 0 349.479 -0.064 20 30 EBEDRP C=CCNC(=O)CN1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000571805261 381620308 /nfs/dbraw/zinc/62/03/08/381620308.db2.gz ACTIFLDUOQQUQL-ROUUACIJSA-N 2 0 346.475 -0.163 20 30 EBEDRP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000491166763 415370442 /nfs/dbraw/zinc/37/04/42/415370442.db2.gz UJPQMRFRGNBXQH-UHFFFAOYSA-N 2 0 334.424 -0.546 20 30 EBEDRP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000125293494 584489925 /nfs/dbraw/zinc/48/99/25/584489925.db2.gz QOZWCFIEKPKBRO-CYBMUJFWSA-N 2 0 331.486 -0.471 20 30 EBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995587 584528209 /nfs/dbraw/zinc/52/82/09/584528209.db2.gz FUZJFOJZVFBNKX-GFCCVEGCSA-N 2 0 329.832 -0.374 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCN(C(=O)CC)C1 ZINC000261955229 649985545 /nfs/dbraw/zinc/98/55/45/649985545.db2.gz IOGDVDQYGXOKSC-LSDHHAIUSA-N 2 0 336.484 -0.448 20 30 EBEDRP C[C@H]1CN(C(=[NH2+])NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000263109864 649988655 /nfs/dbraw/zinc/98/86/55/649988655.db2.gz KYICATRWVPYRIB-HNNXBMFYSA-N 2 0 339.484 -0.182 20 30 EBEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303886649 649992849 /nfs/dbraw/zinc/99/28/49/649992849.db2.gz KLIXAVDCNXRYPL-UHFFFAOYSA-N 2 0 326.489 -0.750 20 30 EBEDRP C[NH+]=C(NCCCC[NH+]1CCOCC1)NCCN1CCOCC1 ZINC000303908230 649993244 /nfs/dbraw/zinc/99/32/44/649993244.db2.gz XJFDUCADHJAWGY-UHFFFAOYSA-N 2 0 327.473 -0.404 20 30 EBEDRP C[NH+](C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CCOCC1 ZINC000304742223 649994064 /nfs/dbraw/zinc/99/40/64/649994064.db2.gz CNKXFUDKDFWRDV-UHFFFAOYSA-N 2 0 327.473 -0.276 20 30 EBEDRP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C#N)C1 ZINC000912535970 650207008 /nfs/dbraw/zinc/20/70/08/650207008.db2.gz PRVYXVGCMVCPFL-KKUMJFAQSA-N 2 0 333.436 -0.547 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)CC1 ZINC000965928945 724542654 /nfs/dbraw/zinc/54/26/54/724542654.db2.gz SVDSDOYKJJUXEA-UHFFFAOYSA-N 2 0 332.448 -0.166 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000954317852 719665044 /nfs/dbraw/zinc/66/50/44/719665044.db2.gz AQLFXBPTSTUMLO-INIZCTEOSA-N 2 0 346.475 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2N(CC(N)=O)CC3)CC1 ZINC000992508166 725805529 /nfs/dbraw/zinc/80/55/29/725805529.db2.gz LLTFRBMKKQRBPO-CRAIPNDOSA-N 2 0 332.448 -0.070 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC000999871586 726537041 /nfs/dbraw/zinc/53/70/41/726537041.db2.gz VGOXBRPXIPKYLE-UYSNPLJNSA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001021089611 729281847 /nfs/dbraw/zinc/28/18/47/729281847.db2.gz FJHLWHSTZMNBNO-WKILWMFISA-N 2 0 330.436 -0.140 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001021093061 729282097 /nfs/dbraw/zinc/28/20/97/729282097.db2.gz XLEPOTOGRWUJAY-WKILWMFISA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1 ZINC001041845445 732237629 /nfs/dbraw/zinc/23/76/29/732237629.db2.gz ZMMQYPSVHVLZCJ-SFHVURJKSA-N 2 0 332.448 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001047638069 734294755 /nfs/dbraw/zinc/29/47/55/734294755.db2.gz AIOIVIFLSXDUPG-SZMVWBNQSA-N 2 0 349.475 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2n2ccnn2)CC1 ZINC001070102369 740699906 /nfs/dbraw/zinc/69/99/06/740699906.db2.gz GOMFJCFXOJZDLU-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070327696 740787529 /nfs/dbraw/zinc/78/75/29/740787529.db2.gz BXDBQQMAXVDGNF-XHSDSOJGSA-N 2 0 348.451 -0.226 20 30 EBEDRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214888829 810288609 /nfs/dbraw/zinc/28/86/09/810288609.db2.gz CWCBUQTVRHUSTF-RBSFLKMASA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455891 810330138 /nfs/dbraw/zinc/33/01/38/810330138.db2.gz ICJODROEXIZTPF-CHWSQXEVSA-N 2 0 339.440 -0.614 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219826383 810863651 /nfs/dbraw/zinc/86/36/51/810863651.db2.gz QWXNWZNNGYPTAQ-VWYCJHECSA-N 2 0 345.446 -0.285 20 30 EBEDRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)C[NH2+]C1 ZINC001220851288 811266438 /nfs/dbraw/zinc/26/64/38/811266438.db2.gz OVOIBZHQZNBSGW-AWEZNQCLSA-N 2 0 330.388 -0.161 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001036902390 811307144 /nfs/dbraw/zinc/30/71/44/811307144.db2.gz JXNZHSLLYWWJLN-JKSUJKDBSA-N 2 0 332.448 -0.260 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001222044376 811586121 /nfs/dbraw/zinc/58/61/21/811586121.db2.gz ZRKNVOHTLJMIRR-KZNAEPCWSA-N 2 0 349.475 -0.128 20 30 EBEDRP N#Cc1ccc2nc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn2c1 ZINC001236311312 812517178 /nfs/dbraw/zinc/51/71/78/812517178.db2.gz ITKUNBBWXOLSLX-UHFFFAOYSA-N 2 0 343.435 -0.178 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC001256585875 812736284 /nfs/dbraw/zinc/73/62/84/812736284.db2.gz WZLXCNJLFMSPTO-UHFFFAOYSA-N 2 0 337.468 -0.157 20 30 EBEDRP C[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CC(=O)NCC#N)C1 ZINC001264032354 813142732 /nfs/dbraw/zinc/14/27/32/813142732.db2.gz KLVDCNYUSNPUMA-VGWMRTNUSA-N 2 0 347.463 -0.253 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001265680825 813358462 /nfs/dbraw/zinc/35/84/62/813358462.db2.gz XLJIZJRPCSTRDN-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@H](O)COC)C2)CC1 ZINC001266041243 813444179 /nfs/dbraw/zinc/44/41/79/813444179.db2.gz RBQKJXFRVDZAJA-RDJZCZTQSA-N 2 0 337.464 -0.223 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001267067712 813751387 /nfs/dbraw/zinc/75/13/87/813751387.db2.gz RMGKWQZZCDBXBU-PBHICJAKSA-N 2 0 333.436 -0.450 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267090211 813756609 /nfs/dbraw/zinc/75/66/09/813756609.db2.gz HREVVMNXIIFRQV-CABCVRRESA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267494314 813916074 /nfs/dbraw/zinc/91/60/74/813916074.db2.gz RLQHREUYTAXQRR-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001267858318 814057974 /nfs/dbraw/zinc/05/79/74/814057974.db2.gz QFXBQBJMCKXORK-SFHVURJKSA-N 2 0 334.464 -0.048 20 30 EBEDRP N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001268555435 814291495 /nfs/dbraw/zinc/29/14/95/814291495.db2.gz ITCIABUXLOFWOX-ZHAXYTGKSA-N 2 0 333.436 -0.095 20 30 EBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001271113917 815990839 /nfs/dbraw/zinc/99/08/39/815990839.db2.gz WCCALXIHOULVHQ-YNEHKIRRSA-N 2 0 332.408 -0.400 20 30 EBEDRP C#CCNC(=O)[C@H]1CC12CC[NH+](CC(=O)N1CCN(C)CC1)CC2 ZINC001273836031 816779351 /nfs/dbraw/zinc/77/93/51/816779351.db2.gz MELXMCFEGCMBHO-OAHLLOKOSA-N 2 0 332.448 -0.388 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN(C)CCNS(C)(=O)=O ZINC001275573646 817252950 /nfs/dbraw/zinc/25/29/50/817252950.db2.gz FVQFXXSTCJKGGV-KBPBESRZSA-N 2 0 344.481 -0.930 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001278139474 817708181 /nfs/dbraw/zinc/70/81/81/817708181.db2.gz SNGYGTDOXWEJGK-MELADBBJSA-N 2 0 326.441 -0.914 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278586236 817783356 /nfs/dbraw/zinc/78/33/56/817783356.db2.gz QQGVDZQFTSOLKH-ZIAGYGMSSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278756374 817809731 /nfs/dbraw/zinc/80/97/31/817809731.db2.gz OPYJAYHGAXVYHA-HUUCEWRRSA-N 2 0 338.452 -0.983 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278756376 817810830 /nfs/dbraw/zinc/81/08/30/817810830.db2.gz OPYJAYHGAXVYHA-LSDHHAIUSA-N 2 0 338.452 -0.983 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001278840696 817859489 /nfs/dbraw/zinc/85/94/89/817859489.db2.gz ZGAVYHJJZDQJSR-CVEARBPZSA-N 2 0 325.453 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001279329230 817916685 /nfs/dbraw/zinc/91/66/85/817916685.db2.gz RZXPXEPDJRIHQE-OFLPRAFFSA-N 2 0 337.464 -0.082 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372778 817921379 /nfs/dbraw/zinc/92/13/79/817921379.db2.gz ZYCZSVDZQZCOEN-WCXIOVBPSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279801272 817987770 /nfs/dbraw/zinc/98/77/70/817987770.db2.gz VGZHAQULTGJJFD-CABCVRRESA-N 2 0 338.452 -0.981 20 30 EBEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284459693 819245716 /nfs/dbraw/zinc/24/57/16/819245716.db2.gz INFVAFHJTKHMFH-INIZCTEOSA-N 2 0 325.453 -0.223 20 30 EBEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076298 820171013 /nfs/dbraw/zinc/17/10/13/820171013.db2.gz JDUUCQWYHGKPHF-GJZGRUSLSA-N 2 0 329.441 -0.681 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCC)C[C@@H]2O)CC1 ZINC001100122003 820251456 /nfs/dbraw/zinc/25/14/56/820251456.db2.gz JYKAIBUFKFRWDW-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522824 820454714 /nfs/dbraw/zinc/45/47/14/820454714.db2.gz IDUUQPFDUKXVBS-YMVOSSCXSA-N 2 0 347.459 -0.016 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100618721 820489297 /nfs/dbraw/zinc/48/92/97/820489297.db2.gz VKRLVOCUDDJVQM-NFOMZHRRSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345045 820760041 /nfs/dbraw/zinc/76/00/41/820760041.db2.gz QWBRAZZVPHWCLN-QAPCUYQASA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CC1 ZINC001295350144 821082906 /nfs/dbraw/zinc/08/29/06/821082906.db2.gz YBTFMVZHAACUCT-VQFNDLOPSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](O)COC)CC1 ZINC001316609680 821814660 /nfs/dbraw/zinc/81/46/60/821814660.db2.gz FHSRQZHDDYAAKI-IRXDYDNUSA-N 2 0 337.464 -0.128 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148404 822193003 /nfs/dbraw/zinc/19/30/03/822193003.db2.gz NTHGSAVAAOMUPA-KLHDSHLOSA-N 2 0 334.464 -0.240 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001317670515 822199265 /nfs/dbraw/zinc/19/92/65/822199265.db2.gz UEALZSGEUCSCCZ-OAHLLOKOSA-N 2 0 332.448 -0.483 20 30 EBEDRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)[NH+](C)C ZINC001106282177 822240713 /nfs/dbraw/zinc/24/07/13/822240713.db2.gz XAXDXKRQVORMHB-FMKPAKJESA-N 2 0 337.468 -0.104 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231976 828761738 /nfs/dbraw/zinc/76/17/38/828761738.db2.gz MSENRNRTPNKJIK-CQSZACIVSA-N 2 0 340.468 -0.259 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114841311 826353629 /nfs/dbraw/zinc/35/36/29/826353629.db2.gz TUUKAWYFFIXAGD-AIANPOQGSA-N 2 0 346.475 -0.097 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115156421 826434457 /nfs/dbraw/zinc/43/44/57/826434457.db2.gz NUGQHJSNTZBLJW-AIANPOQGSA-N 2 0 334.464 -0.097 20 30 EBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245433 826471448 /nfs/dbraw/zinc/47/14/48/826471448.db2.gz QQNQVBMMFFVKMC-NCOADZHNSA-N 2 0 335.448 -0.349 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001124025725 827746392 /nfs/dbraw/zinc/74/63/92/827746392.db2.gz PDXDIKPQEDTTCX-FUHWJXTLSA-N 2 0 335.448 -0.327 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670081 833251462 /nfs/dbraw/zinc/25/14/62/833251462.db2.gz IZOOBOGUYLEINM-OAHLLOKOSA-N 2 0 333.436 -0.101 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182973679 833271674 /nfs/dbraw/zinc/27/16/74/833271674.db2.gz QXJDVQJCHMERKB-ZIAGYGMSSA-N 2 0 326.416 -0.394 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001183176337 833282924 /nfs/dbraw/zinc/28/29/24/833282924.db2.gz KUBXWXNUCNOHCV-CRAIPNDOSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130806010 828944482 /nfs/dbraw/zinc/94/44/82/828944482.db2.gz YJTUWUOCFFQIRV-UHFFFAOYSA-N 2 0 337.424 -0.668 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108404 829045691 /nfs/dbraw/zinc/04/56/91/829045691.db2.gz SGFWMDVPUWRELF-HUUCEWRRSA-N 2 0 333.436 -0.485 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185505233 833360684 /nfs/dbraw/zinc/36/06/84/833360684.db2.gz ZDSYOTICSLGODQ-CVEARBPZSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020964 829713327 /nfs/dbraw/zinc/71/33/27/829713327.db2.gz MIHWXLXFUBPRBT-HUUCEWRRSA-N 2 0 338.452 -0.669 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118383 829900250 /nfs/dbraw/zinc/90/02/50/829900250.db2.gz KUIQWXVBTPMXKL-OAHLLOKOSA-N 2 0 348.451 -0.449 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513095 829980134 /nfs/dbraw/zinc/98/01/34/829980134.db2.gz GQPMFZOIIPRBBU-GFCCVEGCSA-N 2 0 327.429 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877557 830425039 /nfs/dbraw/zinc/42/50/39/830425039.db2.gz LKSRMEVFZYQCAZ-LBPRGKRZSA-N 2 0 325.413 -0.954 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000107 830436878 /nfs/dbraw/zinc/43/68/78/830436878.db2.gz KUJKEDAKYJYERR-LBPRGKRZSA-N 2 0 337.424 -0.812 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073928 831022434 /nfs/dbraw/zinc/02/24/34/831022434.db2.gz SPTANQJNEAPSMR-NEPJUHHUSA-N 2 0 325.413 -0.956 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151160830 831037333 /nfs/dbraw/zinc/03/73/33/831037333.db2.gz ZKKMDEIMGBKJPY-UONOGXRCSA-N 2 0 326.441 -0.649 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCCOCC)CC1 ZINC001152334909 831152901 /nfs/dbraw/zinc/15/29/01/831152901.db2.gz VJIGYJWANIHBLR-UHFFFAOYSA-N 2 0 338.452 -0.810 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155411 831712521 /nfs/dbraw/zinc/71/25/21/831712521.db2.gz OTMPUQXFBMFULJ-ZIAGYGMSSA-N 2 0 328.432 -0.100 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159916182 831796502 /nfs/dbraw/zinc/79/65/02/831796502.db2.gz OVLFRECTHIECPX-CQSZACIVSA-N 2 0 339.440 -0.566 20 30 EBEDRP N#Cc1nccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160637722 831872752 /nfs/dbraw/zinc/87/27/52/831872752.db2.gz SCHOOGJJHVYZER-CXAGYDPISA-N 2 0 341.419 -0.804 20 30 EBEDRP N#Cc1ccc([C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)N2CC[NH2+]CC2)cc1 ZINC001160643955 831873901 /nfs/dbraw/zinc/87/39/01/831873901.db2.gz RBHLEDSAMMXTJS-DLBZAZTESA-N 2 0 343.431 -0.309 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161041825 831916142 /nfs/dbraw/zinc/91/61/42/831916142.db2.gz MPIRICKGJQZFKH-CYBMUJFWSA-N 2 0 339.440 -0.422 20 30 EBEDRP Cc1c(C(=O)NCCC[NH2+]CC(=O)NCC#N)ccc2c[nH+]cn21 ZINC001161563823 831972931 /nfs/dbraw/zinc/97/29/31/831972931.db2.gz KGDGWFRIJCEZJE-UHFFFAOYSA-N 2 0 328.376 -0.008 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165800489 832238290 /nfs/dbraw/zinc/23/82/90/832238290.db2.gz BHTBTVHAHZALGK-GFCCVEGCSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166869544 832294777 /nfs/dbraw/zinc/29/47/77/832294777.db2.gz CUSVVDCDFVRYCU-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167237216 832318910 /nfs/dbraw/zinc/31/89/10/832318910.db2.gz XHQGIEFWDPUYCT-LSDHHAIUSA-N 2 0 334.464 -0.190 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001354470775 832490727 /nfs/dbraw/zinc/49/07/27/832490727.db2.gz IGPBDYGHAILZTL-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001176926142 832711523 /nfs/dbraw/zinc/71/15/23/832711523.db2.gz HJIHPYLQXLZEGY-GFCCVEGCSA-N 2 0 337.424 -0.989 20 30 EBEDRP C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001188562588 834063768 /nfs/dbraw/zinc/06/37/68/834063768.db2.gz PSJNNEKKPQXHMX-OWCLPIDISA-N 2 0 343.431 -0.138 20 30 EBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCCO1 ZINC001201612730 836166151 /nfs/dbraw/zinc/16/61/51/836166151.db2.gz QRKAPZWSRVECIJ-INIZCTEOSA-N 2 0 333.436 -0.101 20 30 EBEDRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201688343 836177369 /nfs/dbraw/zinc/17/73/69/836177369.db2.gz PBNQPHIQLHLDKO-CQSZACIVSA-N 2 0 339.440 -0.825 20 30 EBEDRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201801195 836194483 /nfs/dbraw/zinc/19/44/83/836194483.db2.gz UUNCBGXWXJVHPC-CQSZACIVSA-N 2 0 339.440 -0.825 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201924422 836217026 /nfs/dbraw/zinc/21/70/26/836217026.db2.gz LFCQWFAZHOZZGL-HNNXBMFYSA-N 2 0 340.468 -0.163 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203331081 836421154 /nfs/dbraw/zinc/42/11/54/836421154.db2.gz ZEJHQSIYFOWVFH-AWEZNQCLSA-N 2 0 338.452 -0.717 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732403 836469226 /nfs/dbraw/zinc/46/92/26/836469226.db2.gz YCCLITLMPQCZHS-KBPBESRZSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732009 836469472 /nfs/dbraw/zinc/46/94/72/836469472.db2.gz UQLSVYOJIBWXRM-HUUCEWRRSA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205335234 836559421 /nfs/dbraw/zinc/55/94/21/836559421.db2.gz WBHUGOGGZBKLOM-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206274999 836634942 /nfs/dbraw/zinc/63/49/42/836634942.db2.gz NSUQEDBCIWXKPW-CQSZACIVSA-N 2 0 335.452 -0.204 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208260712 836962554 /nfs/dbraw/zinc/96/25/54/836962554.db2.gz CKGZHUDZHNPLSC-KBPBESRZSA-N 2 0 341.431 -0.113 20 30 EBEDRP N#CCNC(=O)C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001318931369 838048903 /nfs/dbraw/zinc/04/89/03/838048903.db2.gz OTMBZDRKOMLLFM-UHFFFAOYSA-N 2 0 335.452 -0.060 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001323001610 839317612 /nfs/dbraw/zinc/31/76/12/839317612.db2.gz YWQQJIAFOIIKIP-HUUCEWRRSA-N 2 0 333.436 -0.548 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@@H+]1C 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EBEDRP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOCCO)CC1 ZINC001483989534 1126495835 /nfs/dbraw/zinc/49/58/35/1126495835.db2.gz NGDMLQNAANKCOE-INIZCTEOSA-N 2 0 337.464 -0.127 20 30 EBEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997803 1126496221 /nfs/dbraw/zinc/49/62/21/1126496221.db2.gz YRCRESFBOXXHHQ-GJZGRUSLSA-N 2 0 335.452 -0.015 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC#CCOC)C1 ZINC001484220951 1126530288 /nfs/dbraw/zinc/53/02/88/1126530288.db2.gz GMLUGLCKHXRZLR-DOTOQJQBSA-N 2 0 343.443 -0.131 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484959866 1126659335 /nfs/dbraw/zinc/65/93/35/1126659335.db2.gz VHEWTYHGPRIBGB-UHFFFAOYSA-N 2 0 325.453 -0.079 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001491043215 1130303375 /nfs/dbraw/zinc/30/33/75/1130303375.db2.gz IKLBJMQBAHKAOG-FRRDWIJNSA-N 2 0 337.424 -0.671 20 30 EBEDRP CN(C)C(=O)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 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VRITVDGOJNPALU-HNNXBMFYSA-N 2 0 336.484 -0.638 20 30 EBEDRP C=C1[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000908532928 650102300 /nfs/dbraw/zinc/10/23/00/650102300.db2.gz JFOLLGSQODCTKD-HOTGVXAUSA-N 2 0 334.464 -0.171 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC000911236050 650161747 /nfs/dbraw/zinc/16/17/47/650161747.db2.gz LRWQIJACXALZTH-OAHLLOKOSA-N 2 0 338.452 -0.410 20 30 EBEDRP N#C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000912536001 650207056 /nfs/dbraw/zinc/20/70/56/650207056.db2.gz QRCAKWGKJDGAPF-OAHLLOKOSA-N 2 0 333.436 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)CC1 ZINC000946902201 653258854 /nfs/dbraw/zinc/25/88/54/653258854.db2.gz LDWKHNWMGDJOHT-CALCHBBNSA-N 2 0 346.475 -0.013 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468486 722371762 /nfs/dbraw/zinc/37/17/62/722371762.db2.gz YKTHISCVORQICN-GOEBONIOSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC000962773840 723321413 /nfs/dbraw/zinc/32/14/13/723321413.db2.gz KWILUKWYPSOFFG-QLPKVWCKSA-N 2 0 332.448 -0.534 20 30 EBEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001025708574 730077087 /nfs/dbraw/zinc/07/70/87/730077087.db2.gz YYWJHMJXRTYEBM-JKJDWNRSSA-N 2 0 332.448 -0.086 20 30 EBEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001025708576 730077489 /nfs/dbraw/zinc/07/74/89/730077489.db2.gz YYWJHMJXRTYEBM-XFIYOXNOSA-N 2 0 332.448 -0.086 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC001026428023 730144680 /nfs/dbraw/zinc/14/46/80/730144680.db2.gz YIAFGDFUIZUFTR-XHSDSOJGSA-N 2 0 332.448 -0.357 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559119 734253488 /nfs/dbraw/zinc/25/34/88/734253488.db2.gz RGOZFJGCUAJNML-HOTGVXAUSA-N 2 0 333.436 -0.415 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]3C2)CC1 ZINC001049235170 734695002 /nfs/dbraw/zinc/69/50/02/734695002.db2.gz LLHAJLOCJIJSOB-BBWFWOEESA-N 2 0 346.475 -0.014 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC)[C@@H](n3ccnn3)C2)CC1 ZINC001070333776 740789308 /nfs/dbraw/zinc/78/93/08/740789308.db2.gz UUOPQELYRYSICB-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214757242 810275868 /nfs/dbraw/zinc/27/58/68/810275868.db2.gz FUEKWEJDNWGXGW-MGPQQGTHSA-N 2 0 341.431 -0.257 20 30 EBEDRP N#Cc1nc(N)c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1C#N ZINC001218595092 810508448 /nfs/dbraw/zinc/50/84/48/810508448.db2.gz LPOPYRBKDQZELX-VIFPVBQESA-N 2 0 326.364 -0.385 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225426533 811809034 /nfs/dbraw/zinc/80/90/34/811809034.db2.gz BJIQLURQRJLQDY-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP N#Cc1ccn2ncc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2c1 ZINC001235873959 812514764 /nfs/dbraw/zinc/51/47/64/812514764.db2.gz GLFMLGSLLHNCAW-UHFFFAOYSA-N 2 0 327.436 -0.210 20 30 EBEDRP N#C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CCN1 ZINC001246212430 812568602 /nfs/dbraw/zinc/56/86/02/812568602.db2.gz QIRWWNGDCAQZLE-HOTGVXAUSA-N 2 0 344.456 -0.755 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263878072 813132858 /nfs/dbraw/zinc/13/28/58/813132858.db2.gz KRPJUOAGYLTCGJ-FZKCQIBNSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[NH+](C)CCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCC#N ZINC001264032351 813143120 /nfs/dbraw/zinc/14/31/20/813143120.db2.gz KLVDCNYUSNPUMA-FZKCQIBNSA-N 2 0 347.463 -0.253 20 30 EBEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264393737 813169980 /nfs/dbraw/zinc/16/99/80/813169980.db2.gz JRUWWJVPEQUTBZ-ZNMIVQPWSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265608711 813350188 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JUWXKSZGJKPYAR-HNNXBMFYSA-N 2 0 347.463 -0.013 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269615820 814747487 /nfs/dbraw/zinc/74/74/87/814747487.db2.gz ZSSFFWRHYGYRLU-VQIMIIECSA-N 2 0 346.475 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]CCOC)CC2)CC1 ZINC001274589313 817024101 /nfs/dbraw/zinc/02/41/01/817024101.db2.gz OTJCIAIIPHZVDK-UHFFFAOYSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001275729734 817284355 /nfs/dbraw/zinc/28/43/55/817284355.db2.gz OQFLHSZJXSWFSI-HIFRSBDPSA-N 2 0 348.447 -0.427 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@@H]2CCNC2=O)C2CC2)CC1 ZINC001276712729 817458094 /nfs/dbraw/zinc/45/80/94/817458094.db2.gz ZJSDHKSKMKPARO-CVEARBPZSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@@H]3CCN(C)C3=O)CC2)CC1 ZINC001277258877 817539823 /nfs/dbraw/zinc/53/98/23/817539823.db2.gz DEVJWFQXBQNSJZ-OAHLLOKOSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001278017676 817677638 /nfs/dbraw/zinc/67/76/38/817677638.db2.gz MQLHCJSMGPGDNW-LSDHHAIUSA-N 2 0 338.452 -0.859 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001278840703 817859339 /nfs/dbraw/zinc/85/93/39/817859339.db2.gz ZGAVYHJJZDQJSR-JKSUJKDBSA-N 2 0 325.453 -0.081 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282014993 818332715 /nfs/dbraw/zinc/33/27/15/818332715.db2.gz SBTZEUSGHOIVGJ-YMAMQOFZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001282497389 818441840 /nfs/dbraw/zinc/44/18/40/818441840.db2.gz NOTQEJGQQRVVDP-GDBMZVCRSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001282887297 818516147 /nfs/dbraw/zinc/51/61/47/818516147.db2.gz WDGLBAXZOBXYJZ-OSYLJGHBSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001282888924 818516166 /nfs/dbraw/zinc/51/61/66/818516166.db2.gz NIGKEHHCBLBVPV-QKDCVEJESA-N 2 0 330.432 -0.874 20 30 EBEDRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001283554168 818853654 /nfs/dbraw/zinc/85/36/54/818853654.db2.gz QRPPMQUWJFDSJM-CQSZACIVSA-N 2 0 333.436 -0.451 20 30 EBEDRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001283554167 818853762 /nfs/dbraw/zinc/85/37/62/818853762.db2.gz QRPPMQUWJFDSJM-AWEZNQCLSA-N 2 0 333.436 -0.451 20 30 EBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283804552 818961588 /nfs/dbraw/zinc/96/15/88/818961588.db2.gz MNQVIAQHKJKJBV-WMLDXEAASA-N 2 0 343.443 -0.085 20 30 EBEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076297 820170928 /nfs/dbraw/zinc/17/09/28/820170928.db2.gz JDUUCQWYHGKPHF-CABCVRRESA-N 2 0 329.441 -0.681 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCOC)C[C@@H]2O)CC1 ZINC001100121627 820250720 /nfs/dbraw/zinc/25/07/20/820250720.db2.gz DOELDXBAQFDHFH-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100335322 820364660 /nfs/dbraw/zinc/36/46/60/820364660.db2.gz VBKXDJNBVFTZAZ-AVVWSFFYSA-N 2 0 332.448 -0.438 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001100345137 820369907 /nfs/dbraw/zinc/36/99/07/820369907.db2.gz RCPDREVPPBJVQV-PFSRBDOWSA-N 2 0 335.452 -0.159 20 30 EBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100383063 820391792 /nfs/dbraw/zinc/39/17/92/820391792.db2.gz JJPOWYCTODUJBL-NRXISQOPSA-N 2 0 335.452 -0.015 20 30 EBEDRP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432746 820790310 /nfs/dbraw/zinc/79/03/10/820790310.db2.gz YKZIFLKHUMTWHA-AEFFLSMTSA-N 2 0 337.464 -0.005 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102045944 821011510 /nfs/dbraw/zinc/01/15/10/821011510.db2.gz DGQZMHQDGNVJGU-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091209 821022865 /nfs/dbraw/zinc/02/28/65/821022865.db2.gz XHVGVKKWYHLANW-OAGGEKHMSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370057 821081370 /nfs/dbraw/zinc/08/13/70/821081370.db2.gz PJQCKHJYERFZFM-ARFHVFGLSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514036 821134557 /nfs/dbraw/zinc/13/45/57/821134557.db2.gz KDQKTFFFLIVLPM-QLFBSQMISA-N 2 0 335.452 -0.348 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104913889 821564038 /nfs/dbraw/zinc/56/40/38/821564038.db2.gz JWMXQUBGPOQXOG-HUUCEWRRSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326904 821693932 /nfs/dbraw/zinc/69/39/32/821693932.db2.gz LHNVVBHEKKGDEW-BBRMVZONSA-N 2 0 330.436 -0.028 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317287357 822064855 /nfs/dbraw/zinc/06/48/55/822064855.db2.gz AVVLYFAWCKJPFO-NEPJUHHUSA-N 2 0 325.413 -0.956 20 30 EBEDRP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001317331016 822084549 /nfs/dbraw/zinc/08/45/49/822084549.db2.gz PUNZELLQEFFGAT-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106662928 822308998 /nfs/dbraw/zinc/30/89/98/822308998.db2.gz KIBRSZXMTOWRAP-QLFBSQMISA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005793 828713205 /nfs/dbraw/zinc/71/32/05/828713205.db2.gz HJAIPOOBZYMNLM-XHSDSOJGSA-N 2 0 330.436 -0.015 20 30 EBEDRP C=CCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086228 828729490 /nfs/dbraw/zinc/72/94/90/828729490.db2.gz QLCUYODDIJLZDI-CABCVRRESA-N 2 0 336.440 -0.226 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123690 828736126 /nfs/dbraw/zinc/73/61/26/828736126.db2.gz YTFDNWBMSJRDMX-OAGGEKHMSA-N 2 0 346.435 -0.779 20 30 EBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038059 826405661 /nfs/dbraw/zinc/40/56/61/826405661.db2.gz HATFKBXBSZROKE-VQFNDLOPSA-N 2 0 335.448 -0.207 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001120129124 827176089 /nfs/dbraw/zinc/17/60/89/827176089.db2.gz DJZNSLDERSUNNR-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122106488 827522837 /nfs/dbraw/zinc/52/28/37/827522837.db2.gz JJBJNBSNBMZBOM-UHFFFAOYSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867047 827969349 /nfs/dbraw/zinc/96/93/49/827969349.db2.gz QSARTVJVSWTRQP-RYUDHWBXSA-N 2 0 325.413 -0.813 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939816 833313476 /nfs/dbraw/zinc/31/34/76/833313476.db2.gz KUYRDWTWUWIHNU-HUUCEWRRSA-N 2 0 332.448 -0.057 20 30 EBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356454 828283183 /nfs/dbraw/zinc/28/31/83/828283183.db2.gz CXNWSOFEGSYAMN-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1=O ZINC001132848287 829533713 /nfs/dbraw/zinc/53/37/13/829533713.db2.gz DASAIFIFNLQWSU-LSDHHAIUSA-N 2 0 338.452 -0.412 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852140 829536555 /nfs/dbraw/zinc/53/65/55/829536555.db2.gz IKVMYUDHXBFOAJ-KBPBESRZSA-N 2 0 326.441 -0.508 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850600 829687391 /nfs/dbraw/zinc/68/73/91/829687391.db2.gz NWPPWDOKGYLLFY-QWHCGFSZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021203 829714175 /nfs/dbraw/zinc/71/41/75/829714175.db2.gz UXUXUORTRRHSCK-LSDHHAIUSA-N 2 0 340.468 -0.116 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373156 829955649 /nfs/dbraw/zinc/95/56/49/829955649.db2.gz UTAGNWJNPIQHNX-OLZOCXBDSA-N 2 0 341.456 -0.177 20 30 EBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)COCC[NH+](C)C ZINC001135923101 830046408 /nfs/dbraw/zinc/04/64/08/830046408.db2.gz GWKMWFWJEICAMH-CHWSQXEVSA-N 2 0 327.429 -0.923 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001146582276 830209753 /nfs/dbraw/zinc/20/97/53/830209753.db2.gz FWKLMSJLUAOINB-CABCVRRESA-N 2 0 347.463 -0.156 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152444878 831163220 /nfs/dbraw/zinc/16/32/20/831163220.db2.gz ARRFWSWEVZDOEJ-LBPRGKRZSA-N 2 0 327.429 -0.567 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822111 831433257 /nfs/dbraw/zinc/43/32/57/831433257.db2.gz ITRRYCVXSZSCPH-QWHCGFSZSA-N 2 0 339.440 -0.423 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157752900 831590929 /nfs/dbraw/zinc/59/09/29/831590929.db2.gz AMNGTPUFHMIBAE-NTZNESFSSA-N 2 0 337.417 -0.627 20 30 EBEDRP N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160878591 831903087 /nfs/dbraw/zinc/90/30/87/831903087.db2.gz LJVPNOYGNZEABT-RDBSUJKOSA-N 2 0 337.424 -0.815 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872089 832069000 /nfs/dbraw/zinc/06/90/00/832069000.db2.gz GJJXYSIGZOBTHT-XOYHFGRZSA-N 2 0 336.436 -0.752 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164538927 832195969 /nfs/dbraw/zinc/19/59/69/832195969.db2.gz PYHNMYJMJRMBNG-CQSZACIVSA-N 2 0 326.441 -0.506 20 30 EBEDRP C[C@H](COCC(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001166930980 832300535 /nfs/dbraw/zinc/30/05/35/832300535.db2.gz ODKZKRNMPUJSQO-CQSZACIVSA-N 2 0 339.440 -0.777 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001167917246 832383094 /nfs/dbraw/zinc/38/30/94/832383094.db2.gz XBODEJLUAGEHRN-SFHVURJKSA-N 2 0 347.463 -0.012 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001354470777 832491074 /nfs/dbraw/zinc/49/10/74/832491074.db2.gz IGPBDYGHAILZTL-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289709 835073101 /nfs/dbraw/zinc/07/31/01/835073101.db2.gz MIBZUUMPEURVGW-IAGOWNOFSA-N 2 0 346.431 -0.281 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200116068 835911439 /nfs/dbraw/zinc/91/14/39/835911439.db2.gz SLCYSPCXISNBID-CABCVRRESA-N 2 0 338.452 -0.410 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606584 835995449 /nfs/dbraw/zinc/99/54/49/835995449.db2.gz QXJFWMOTQZPOSM-INIZCTEOSA-N 2 0 332.448 -0.342 20 30 EBEDRP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203512813 836440249 /nfs/dbraw/zinc/44/02/49/836440249.db2.gz DAQUZNXXASMZGZ-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491462 837065862 /nfs/dbraw/zinc/06/58/62/837065862.db2.gz JCJBHJMMXWANDZ-OAHLLOKOSA-N 2 0 332.448 -0.055 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261918 838734562 /nfs/dbraw/zinc/73/45/62/838734562.db2.gz FSCNYGOOHDJXKT-HZPDHXFCSA-N 2 0 325.453 -0.175 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC(=O)N2CCC2)CC1 ZINC001321417310 838988337 /nfs/dbraw/zinc/98/83/37/838988337.db2.gz QRUCHKQNYHEKEM-ONEGZZNKSA-N 2 0 332.448 -0.174 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCO1 ZINC001326990033 840261919 /nfs/dbraw/zinc/26/19/19/840261919.db2.gz LBQGVPNKSYRWOP-MGPQQGTHSA-N 2 0 345.403 -0.920 20 30 EBEDRP C=C1[C@@H](C(=O)NCC[NH+]2CC=CC2)[C@@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001332392570 841633454 /nfs/dbraw/zinc/63/34/54/841633454.db2.gz GQWNBBFOGPQZOH-HZPDHXFCSA-N 2 0 330.432 -0.235 20 30 EBEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001335568840 842306344 /nfs/dbraw/zinc/30/63/44/842306344.db2.gz BGNRYIZUHYTRKV-VBQJREDUSA-N 2 0 336.436 -0.137 20 30 EBEDRP C#CC[NH2+]CC(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001341797904 843114162 /nfs/dbraw/zinc/11/41/62/843114162.db2.gz OHZVRUJKPWKUQB-AWEZNQCLSA-N 2 0 329.466 -0.433 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001482055806 1126074356 /nfs/dbraw/zinc/07/43/56/1126074356.db2.gz HBOGBMNUSLANFQ-QLFBSQMISA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482696923 1126253552 /nfs/dbraw/zinc/25/35/52/1126253552.db2.gz YBFVJBTZALGEKQ-GJZGRUSLSA-N 2 0 332.448 -0.294 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCN2CCNC2=O)CC1 ZINC001483420314 1126426324 /nfs/dbraw/zinc/42/63/24/1126426324.db2.gz HSALZFYAVOIAAJ-HNNXBMFYSA-N 2 0 349.479 -0.207 20 30 EBEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238566 1126536298 /nfs/dbraw/zinc/53/62/98/1126536298.db2.gz JGVPMQNWGTXNKQ-PBHICJAKSA-N 2 0 338.452 -0.722 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001484413990 1126571642 /nfs/dbraw/zinc/57/16/42/1126571642.db2.gz YLIVLLXLONOJOI-SOUVJXGZSA-N 2 0 333.436 -0.642 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484963767 1126657131 /nfs/dbraw/zinc/65/71/31/1126657131.db2.gz UUXAKIFBZNXYBS-INIZCTEOSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001485002614 1126661944 /nfs/dbraw/zinc/66/19/44/1126661944.db2.gz CDRQNUCKGPQGIQ-LBPRGKRZSA-N 2 0 337.424 -0.989 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](CCCO)CC2)CC1 ZINC001485027178 1126667582 /nfs/dbraw/zinc/66/75/82/1126667582.db2.gz NKPPOCYZFOGSSD-UHFFFAOYSA-N 2 0 337.464 -0.343 20 30 EBEDRP C[N@H+](CC(=O)NCC#N)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001485766726 1126828350 /nfs/dbraw/zinc/82/83/50/1126828350.db2.gz POUKSNMYFNVVKB-CQSZACIVSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001489181130 1128926593 /nfs/dbraw/zinc/92/65/93/1128926593.db2.gz GORTZKMMXUTWPB-OWCLPIDISA-N 2 0 332.448 -0.390 20 30 EBEDRP COCC#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001490476238 1129185678 /nfs/dbraw/zinc/18/56/78/1129185678.db2.gz CTCPFMLLRZJJKH-KRWDZBQOSA-N 2 0 336.480 -0.288 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001490958103 1130273799 /nfs/dbraw/zinc/27/37/99/1130273799.db2.gz OGVZZUBWPNRRBU-WKILWMFISA-N 2 0 332.448 -0.153 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001491170296 1130347743 /nfs/dbraw/zinc/34/77/43/1130347743.db2.gz MFFPILAUKIWNED-CQSZACIVSA-N 2 0 335.452 -0.204 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)CC1 ZINC001280371901 1130562327 /nfs/dbraw/zinc/56/23/27/1130562327.db2.gz LSVJSSJBILTFTL-RBSFLKMASA-N 2 0 335.452 -0.015 20 30 EBEDRP CNC(=O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000341894062 380745055 /nfs/dbraw/zinc/74/50/55/380745055.db2.gz JCAPLTQWNTWGMT-IYBDPMFKSA-N 2 0 334.464 -0.094 20 30 EBEDRP CNC(=O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](C(=O)NC)C2)C1 ZINC000341894061 380745172 /nfs/dbraw/zinc/74/51/72/380745172.db2.gz JCAPLTQWNTWGMT-HZPDHXFCSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNc1nc(N2CC([NH+](C)C)C2)nc(N2CC([NH+](C)C)C2)n1 ZINC000286667715 380962330 /nfs/dbraw/zinc/96/23/30/380962330.db2.gz YRAAMAOUYLFIIH-UHFFFAOYSA-N 2 0 330.440 -0.583 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)C(=C)C[NH+](C)C)CCO1 ZINC000871465265 584454405 /nfs/dbraw/zinc/45/44/05/584454405.db2.gz VKCUHZMCYBRQCG-HNNXBMFYSA-N 2 0 338.452 -0.434 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@@H](COC)C1 ZINC000261778104 649985037 /nfs/dbraw/zinc/98/50/37/649985037.db2.gz FGYQGTZPHNNXIP-HUUCEWRRSA-N 2 0 327.473 -0.455 20 30 EBEDRP CC[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262807274 649988409 /nfs/dbraw/zinc/98/84/09/649988409.db2.gz TXZYPGYCFISLHT-ZDUSSCGKSA-N 2 0 329.470 -0.553 20 30 EBEDRP CN1CC[NH+](CCCCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303869395 649992918 /nfs/dbraw/zinc/99/29/18/649992918.db2.gz AVZLHTLQRFIVCC-UHFFFAOYSA-N 2 0 340.516 -0.359 20 30 EBEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303769881 649992957 /nfs/dbraw/zinc/99/29/57/649992957.db2.gz BHPOVEVFDNODQY-INIZCTEOSA-N 2 0 341.500 -0.030 20 30 EBEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303988968 649993059 /nfs/dbraw/zinc/99/30/59/649993059.db2.gz XBTUAZXOSWQEQJ-OAHLLOKOSA-N 2 0 327.473 -0.276 20 30 EBEDRP C#CCN(C(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C1CC[NH+](C)CC1 ZINC000910887749 650136083 /nfs/dbraw/zinc/13/60/83/650136083.db2.gz UBHPWPDNFGXIOJ-BEFAXECRSA-N 2 0 346.475 -0.048 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911237815 650161740 /nfs/dbraw/zinc/16/17/40/650161740.db2.gz ZKAYNUKEIFMFLJ-UHFFFAOYSA-N 2 0 337.468 -0.836 20 30 EBEDRP C[NH+]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535972 650206909 /nfs/dbraw/zinc/20/69/09/650206909.db2.gz PRVYXVGCMVCPFL-SOUVJXGZSA-N 2 0 333.436 -0.547 20 30 EBEDRP C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000929749931 651563118 /nfs/dbraw/zinc/56/31/18/651563118.db2.gz UGDNQMMSPHYYPZ-AWEZNQCLSA-N 2 0 332.448 -0.105 20 30 EBEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958076625 722301420 /nfs/dbraw/zinc/30/14/20/722301420.db2.gz ITMGCBGSJVAQOA-GDBMZVCRSA-N 2 0 333.436 -0.510 20 30 EBEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468180 722371556 /nfs/dbraw/zinc/37/15/56/722371556.db2.gz SULREFSRZQKARW-ZBFHGGJFSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cn(C)nn2)C1 ZINC000961939985 723126697 /nfs/dbraw/zinc/12/66/97/723126697.db2.gz LJTJGPPSCGFKBA-XUJLQICISA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC000962772337 723321512 /nfs/dbraw/zinc/32/15/12/723321512.db2.gz IKQFJKBDCQNOMH-XUWVNRHRSA-N 2 0 330.432 -0.734 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC000962777231 723322316 /nfs/dbraw/zinc/32/23/16/723322316.db2.gz OCCHLSZILKEYJO-VVLHAWIVSA-N 2 0 344.459 -0.391 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC000993855539 725954437 /nfs/dbraw/zinc/95/44/37/725954437.db2.gz RIPGSVYTZDSOKB-MRXNPFEDSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000993855554 725954449 /nfs/dbraw/zinc/95/44/49/725954449.db2.gz RMYMWZSSLRXFLL-INIZCTEOSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001011160219 727478509 /nfs/dbraw/zinc/47/85/09/727478509.db2.gz QIPXNTDJHGWDPU-QGZVFWFLSA-N 2 0 346.475 -0.046 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001023127730 729614610 /nfs/dbraw/zinc/61/46/10/729614610.db2.gz BHSNOABXSWNNOY-OWCLPIDISA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083996 733856034 /nfs/dbraw/zinc/85/60/34/733856034.db2.gz GVMLLZUGLALKJW-QZTJIDSGSA-N 2 0 348.491 -0.194 20 30 EBEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055632697 736416688 /nfs/dbraw/zinc/41/66/88/736416688.db2.gz ZASLVPDVPPMYAI-KBPBESRZSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929111 740622200 /nfs/dbraw/zinc/62/22/00/740622200.db2.gz VLDJGITVWKXZTD-ZACQAIPSSA-N 2 0 342.447 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646718 810270315 /nfs/dbraw/zinc/27/03/15/810270315.db2.gz XHYFTPAPQZBDAM-FVQBIDKESA-N 2 0 332.448 -0.486 20 30 EBEDRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]C[C@@H]1C#N ZINC001218200634 810481156 /nfs/dbraw/zinc/48/11/56/810481156.db2.gz MNWPPYCFEWBOLM-IUCAKERBSA-N 2 0 335.364 -0.749 20 30 EBEDRP N#Cc1c(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)sc2c1CC[NH2+]C2 ZINC001218552192 810501523 /nfs/dbraw/zinc/50/15/23/810501523.db2.gz CNTWSDUOGKAMRG-NSHDSACASA-N 2 0 333.417 -0.466 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219610581 810769532 /nfs/dbraw/zinc/76/95/32/810769532.db2.gz PGBWLLLHGSKBAJ-KHQFGBGNSA-N 2 0 345.343 -0.896 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748827 810822978 /nfs/dbraw/zinc/82/29/78/810822978.db2.gz DOAHABADHYPDSJ-AWEZNQCLSA-N 2 0 339.403 -0.171 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC=C)C[C@@H]2O)CC1 ZINC001221066020 811359628 /nfs/dbraw/zinc/35/96/28/811359628.db2.gz ATZKVCWTPHNDKN-SJORKVTESA-N 2 0 335.448 -0.305 20 30 EBEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001264080714 813147515 /nfs/dbraw/zinc/14/75/15/813147515.db2.gz UNAHMDMJWOXYNB-IRXDYDNUSA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264408518 813172301 /nfs/dbraw/zinc/17/23/01/813172301.db2.gz KRPJUOAGYLTCGJ-FPCVCCKLSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001265609648 813349833 /nfs/dbraw/zinc/34/98/33/813349833.db2.gz UOEZYHAWYIVAND-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C[C@@H](O)COC)CC1 ZINC001266494913 813584190 /nfs/dbraw/zinc/58/41/90/813584190.db2.gz CNLRRDRJXLROCE-DLBZAZTESA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626400 813626940 /nfs/dbraw/zinc/62/69/40/813626940.db2.gz IISOWOQINUKUGE-KBUPBQIOSA-N 2 0 333.436 -0.120 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001266732044 813655082 /nfs/dbraw/zinc/65/50/82/813655082.db2.gz AABROOKQWOGRMJ-BNOWGMLFSA-N 2 0 349.435 -0.848 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115394 814129632 /nfs/dbraw/zinc/12/96/32/814129632.db2.gz SSCZSRMCLLOEDK-HNNXBMFYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCOCCO)C2)CC1 ZINC001268151277 814135193 /nfs/dbraw/zinc/13/51/93/814135193.db2.gz SNKQULPKJASSSE-QGZVFWFLSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001268630169 814329981 /nfs/dbraw/zinc/32/99/81/814329981.db2.gz GLXFZLQTWJRVRZ-MJSXRHKHSA-N 2 0 332.448 -0.128 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148437 814552785 /nfs/dbraw/zinc/55/27/85/814552785.db2.gz CKSXEPQRGZKLNF-HUUCEWRRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269629086 814750355 /nfs/dbraw/zinc/75/03/55/814750355.db2.gz APOKBJHGLHPHDH-YOEHRIQHSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]CC(=O)NCC#N)cc2)C1 ZINC001270082400 815684251 /nfs/dbraw/zinc/68/42/51/815684251.db2.gz WPQUFIUSPPRMIW-MRXNPFEDSA-N 2 0 343.431 -0.016 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001271217017 816039538 /nfs/dbraw/zinc/03/95/38/816039538.db2.gz RNHLJXZGWAKPOH-GOEBONIOSA-N 2 0 334.464 -0.001 20 30 EBEDRP C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001271502162 816124720 /nfs/dbraw/zinc/12/47/20/816124720.db2.gz ZINYVRVLHLIZTN-STQMWFEESA-N 2 0 332.408 -0.191 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001272512920 816452095 /nfs/dbraw/zinc/45/20/95/816452095.db2.gz MFVZGYBRZNDAOJ-GXTWGEPZSA-N 2 0 326.441 -0.914 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001273995819 816833775 /nfs/dbraw/zinc/83/37/75/816833775.db2.gz UBXKVYADITXJAZ-CQSZACIVSA-N 2 0 338.452 -0.669 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282876335 818513660 /nfs/dbraw/zinc/51/36/60/818513660.db2.gz UWCKAELPCJQOSP-YHUYYLMFSA-N 2 0 346.475 -0.240 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283712811 818914136 /nfs/dbraw/zinc/91/41/36/818914136.db2.gz CSGNVRDZBNCQEW-STQMWFEESA-N 2 0 339.440 -0.614 20 30 EBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283804551 818961504 /nfs/dbraw/zinc/96/15/04/818961504.db2.gz MNQVIAQHKJKJBV-RHSMWYFYSA-N 2 0 343.443 -0.085 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501893 819258020 /nfs/dbraw/zinc/25/80/20/819258020.db2.gz KFABEAFEDIMZSP-CVEARBPZSA-N 2 0 325.453 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001284527234 819273462 /nfs/dbraw/zinc/27/34/62/819273462.db2.gz MJAUNAKXGHXIIK-MRXNPFEDSA-N 2 0 334.464 -0.142 20 30 EBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892624 819845303 /nfs/dbraw/zinc/84/53/03/819845303.db2.gz MNNIHPMTDCCLDJ-CVEARBPZSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)NCC)C2)CC1 ZINC001101024959 820654125 /nfs/dbraw/zinc/65/41/25/820654125.db2.gz OOLNYQJSJPKFLS-UHFFFAOYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@]2(C)C1 ZINC001101404777 820780994 /nfs/dbraw/zinc/78/09/94/820780994.db2.gz QFNZJVMJILDQKQ-LBTNJELSSA-N 2 0 343.431 -0.130 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001102119235 821032120 /nfs/dbraw/zinc/03/21/20/821032120.db2.gz CBZYYHOJGAWPIN-HUUCEWRRSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514487 821135073 /nfs/dbraw/zinc/13/50/73/821135073.db2.gz YSQSSHRZZPLGAV-OWCLPIDISA-N 2 0 346.475 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001297072099 821313000 /nfs/dbraw/zinc/31/30/00/821313000.db2.gz FOIGWPIVWPQWIH-UHFFFAOYSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103999810 821385502 /nfs/dbraw/zinc/38/55/02/821385502.db2.gz LLBKGSDUBXGVRX-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007953 821570916 /nfs/dbraw/zinc/57/09/16/821570916.db2.gz JRMQSCYRRVRJBI-OAGGEKHMSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@@H](O)COC)CC1 ZINC001316609679 821814184 /nfs/dbraw/zinc/81/41/84/821814184.db2.gz FHSRQZHDDYAAKI-IAGOWNOFSA-N 2 0 337.464 -0.128 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317287364 822065287 /nfs/dbraw/zinc/06/52/87/822065287.db2.gz AVVLYFAWCKJPFO-VXGBXAGGSA-N 2 0 325.413 -0.956 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317287361 822065395 /nfs/dbraw/zinc/06/53/95/822065395.db2.gz AVVLYFAWCKJPFO-NWDGAFQWSA-N 2 0 325.413 -0.956 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317321011 822082076 /nfs/dbraw/zinc/08/20/76/822082076.db2.gz DOIYPFNEBWVLSX-ZBFHGGJFSA-N 2 0 332.448 -0.484 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106139390 822180250 /nfs/dbraw/zinc/18/02/50/822180250.db2.gz UAFJNIWCJZFUCM-FVQBIDKESA-N 2 0 347.463 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106321931 822247119 /nfs/dbraw/zinc/24/71/19/822247119.db2.gz HUNJHUWBTVESHK-OAGGEKHMSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663225 822308379 /nfs/dbraw/zinc/30/83/79/822308379.db2.gz WZZKWTUQBNUSEY-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535711 828632273 /nfs/dbraw/zinc/63/22/73/828632273.db2.gz ZDVKPJBBESDPFQ-GFCCVEGCSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129855600 828681481 /nfs/dbraw/zinc/68/14/81/828681481.db2.gz HKXCEFDEPIJFCV-ZDUSSCGKSA-N 2 0 339.440 -0.422 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179936660 833028720 /nfs/dbraw/zinc/02/87/20/833028720.db2.gz WANRVKRRYHFNTP-KKUMJFAQSA-N 2 0 338.452 -0.719 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001115289974 826495479 /nfs/dbraw/zinc/49/54/79/826495479.db2.gz LKTWFJSLYMWNBM-FVQHAEBGSA-N 2 0 335.448 -0.613 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001120847875 827265254 /nfs/dbraw/zinc/26/52/54/827265254.db2.gz PHAXVZUSGVIWNT-OPFKTAGGSA-N 2 0 333.436 -0.263 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122055647 827512342 /nfs/dbraw/zinc/51/23/42/827512342.db2.gz DWDKIMKWZQDIPW-OQDWRCPYSA-N 2 0 347.463 -0.015 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001122249806 827556717 /nfs/dbraw/zinc/55/67/17/827556717.db2.gz XOAMMZUXVXLIOQ-UHFFFAOYSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240559 833284817 /nfs/dbraw/zinc/28/48/17/833284817.db2.gz KJFBBYLTTHKZSG-JKSUJKDBSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660261 828313404 /nfs/dbraw/zinc/31/34/04/828313404.db2.gz SZJJHGFSUKXRPI-JHJVBQTASA-N 2 0 339.440 -0.567 20 30 EBEDRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185199466 833349823 /nfs/dbraw/zinc/34/98/23/833349823.db2.gz LOGULGBCYACTTB-CYBMUJFWSA-N 2 0 333.392 -0.215 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196456 829070187 /nfs/dbraw/zinc/07/01/87/829070187.db2.gz GOSMDQFBYGUSDZ-ZDUSSCGKSA-N 2 0 340.387 -0.275 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051716 829578424 /nfs/dbraw/zinc/57/84/24/829578424.db2.gz MFZBQCFQGHIMPD-GFCCVEGCSA-N 2 0 327.429 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833894 829680766 /nfs/dbraw/zinc/68/07/66/829680766.db2.gz IXAHUROHZQBTBJ-GFCCVEGCSA-N 2 0 325.413 -0.812 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373157 829955201 /nfs/dbraw/zinc/95/52/01/829955201.db2.gz UTAGNWJNPIQHNX-QWHCGFSZSA-N 2 0 341.456 -0.177 20 30 EBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147891545 830426961 /nfs/dbraw/zinc/42/69/61/830426961.db2.gz CBTPFIHSCYQXMT-UHFFFAOYSA-N 2 0 326.441 -0.529 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106606 831026523 /nfs/dbraw/zinc/02/65/23/831026523.db2.gz DZQSAUOGFJGGCH-GFCCVEGCSA-N 2 0 325.413 -0.812 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)COCCOC)CC1 ZINC001152330900 831153005 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UXPQMUFEHVNAJA-CYBMUJFWSA-N 2 0 339.440 -0.564 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176096540 832657552 /nfs/dbraw/zinc/65/75/52/832657552.db2.gz UXZVVSZIFSGWRZ-CHWSQXEVSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143076 834617031 /nfs/dbraw/zinc/61/70/31/834617031.db2.gz KYUDXHPUHQUFCP-GOEBONIOSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NC)C2)CC1 ZINC001194246332 835058687 /nfs/dbraw/zinc/05/86/87/835058687.db2.gz LEKYBISKQNUYNE-GOEBONIOSA-N 2 0 334.464 -0.001 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201441092 836147491 /nfs/dbraw/zinc/14/74/91/836147491.db2.gz YFVXJVBNRZYYRO-UHFFFAOYSA-N 2 0 333.436 -0.165 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800260 836193624 /nfs/dbraw/zinc/19/36/24/836193624.db2.gz IEHFYAVCLIKTQP-HNNXBMFYSA-N 2 0 340.468 -0.163 20 30 EBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871196 836209466 /nfs/dbraw/zinc/20/94/66/836209466.db2.gz HJQJOPOFVWENOV-INIZCTEOSA-N 2 0 335.448 -0.061 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202162876 836264107 /nfs/dbraw/zinc/26/41/07/836264107.db2.gz BAQNXYOOVBZONW-HNNXBMFYSA-N 2 0 340.468 -0.164 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205313913 836558809 /nfs/dbraw/zinc/55/88/09/836558809.db2.gz LHXAXTXKCHIYBG-INIZCTEOSA-N 2 0 347.463 -0.204 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208056133 836936924 /nfs/dbraw/zinc/93/69/24/836936924.db2.gz KLMKAVAJRQJDSJ-HUUCEWRRSA-N 2 0 333.436 -0.451 20 30 EBEDRP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001324440029 839658365 /nfs/dbraw/zinc/65/83/65/839658365.db2.gz QDVZJPMKROIZQY-DOTOQJQBSA-N 2 0 337.464 -0.128 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325138634 839794907 /nfs/dbraw/zinc/79/49/07/839794907.db2.gz UPKRSMOCYPJOKY-GOSISDBHSA-N 2 0 337.464 -0.079 20 30 EBEDRP CN(CC(C)(C)C#N)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001325199859 839816025 /nfs/dbraw/zinc/81/60/25/839816025.db2.gz HSUSOMJFNJTLIT-UHFFFAOYSA-N 2 0 325.457 -0.054 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001325736491 839922970 /nfs/dbraw/zinc/92/29/70/839922970.db2.gz PUFQUQGQSKQNQE-XHSDSOJGSA-N 2 0 347.463 -0.111 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331280975 841385456 /nfs/dbraw/zinc/38/54/56/841385456.db2.gz JRALVQBPZKIWEL-SJORKVTESA-N 2 0 346.475 -0.096 20 30 EBEDRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2)CC1 ZINC001342134931 843141916 /nfs/dbraw/zinc/14/19/16/843141916.db2.gz KICVVNZQQZZUDN-ZFWWWQNUSA-N 2 0 349.435 -0.978 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@@H](C)C(=O)NC)C2CC2)CC1 ZINC001670555559 1125808311 /nfs/dbraw/zinc/80/83/11/1125808311.db2.gz ATUWHGKFSCZCHH-BBRMVZONSA-N 2 0 334.464 -0.050 20 30 EBEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001481124335 1125927541 /nfs/dbraw/zinc/92/75/41/1125927541.db2.gz OTKAGOURNKBALX-LSDHHAIUSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCN2CCNC2=O)CC1 ZINC001483197734 1126352740 /nfs/dbraw/zinc/35/27/40/1126352740.db2.gz FKFKPYSPQXABEJ-CQSZACIVSA-N 2 0 335.452 -0.549 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001483744078 1126467728 /nfs/dbraw/zinc/46/77/28/1126467728.db2.gz MUVDVHSZWLUACN-UHFFFAOYSA-N 2 0 333.436 -0.259 20 30 EBEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001484691577 1126619798 /nfs/dbraw/zinc/61/97/98/1126619798.db2.gz PSGGXAWPQZCACD-MRXNPFEDSA-N 2 0 333.436 -0.101 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cncc2C)CC1 ZINC001484718361 1126626026 /nfs/dbraw/zinc/62/60/26/1126626026.db2.gz OVSSTSVJZWMNKQ-OAHLLOKOSA-N 2 0 331.420 -0.088 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484848162 1126641788 /nfs/dbraw/zinc/64/17/88/1126641788.db2.gz JSWJRQFDNAAUHX-YOEHRIQHSA-N 2 0 340.468 -0.428 20 30 EBEDRP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001484847065 1126643952 /nfs/dbraw/zinc/64/39/52/1126643952.db2.gz MFZRQIIKLSBJHG-KRWDZBQOSA-N 2 0 325.453 -0.079 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001485687828 1126801187 /nfs/dbraw/zinc/80/11/87/1126801187.db2.gz PDOQHPJUNRRZOR-SHTZXODSSA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001485962185 1126940247 /nfs/dbraw/zinc/94/02/47/1126940247.db2.gz WILISZHVMJKWOT-UKRRQHHQSA-N 2 0 348.447 -0.427 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)CC1 ZINC001092299605 1128222464 /nfs/dbraw/zinc/22/24/64/1128222464.db2.gz CVPNTUAFUCNGQY-QAPCUYQASA-N 2 0 332.448 -0.403 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001488761022 1128839527 /nfs/dbraw/zinc/83/95/27/1128839527.db2.gz FRQAVIXIKYIDRQ-ZQDZILKHSA-N 2 0 335.452 -0.159 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001490947676 1130271812 /nfs/dbraw/zinc/27/18/12/1130271812.db2.gz UWVLQHWGWVSLII-ADAWSYLGSA-N 2 0 332.448 -0.153 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491169907 1130347582 /nfs/dbraw/zinc/34/75/82/1130347582.db2.gz HQOCCFNNHNGDLJ-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C[NH+](C)C ZINC001369781093 1135015034 /nfs/dbraw/zinc/01/50/34/1135015034.db2.gz DZECANURAPRISL-ZIAGYGMSSA-N 2 0 348.455 -0.469 20 30 EBEDRP C[NH+]1CC[C@@H](CC(=O)NCC#CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635787935 377121791 /nfs/dbraw/zinc/12/17/91/377121791.db2.gz WYVNBGVYWYIROB-HOTGVXAUSA-N 2 0 334.464 -0.094 20 30 EBEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC000593918755 377919405 /nfs/dbraw/zinc/91/94/05/377919405.db2.gz IAJDWUCYRFYOQD-UHFFFAOYSA-N 2 0 329.404 -0.286 20 30 EBEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C(=O)NCC[NH3+])CC2)c1 ZINC000593783356 377914402 /nfs/dbraw/zinc/91/44/02/377914402.db2.gz ZWUJATADZDXVGK-UHFFFAOYSA-N 2 0 329.404 -0.286 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000571941304 381630268 /nfs/dbraw/zinc/63/02/68/381630268.db2.gz AWUIGJOFCVKRDS-GJZGRUSLSA-N 2 0 335.452 -0.020 20 30 EBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330193143 381712569 /nfs/dbraw/zinc/71/25/69/381712569.db2.gz OCMYLGUINQLDCN-JKSUJKDBSA-N 2 0 339.484 -0.200 20 30 EBEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1C#N ZINC000535004728 421218765 /nfs/dbraw/zinc/21/87/65/421218765.db2.gz QIMPZXLABVQMLI-AWEZNQCLSA-N 2 0 331.424 -0.238 20 30 EBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000329397293 545739026 /nfs/dbraw/zinc/73/90/26/545739026.db2.gz XTFCHACRNBLBJX-AWEZNQCLSA-N 2 0 327.473 -0.153 20 30 EBEDRP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000900306232 582766337 /nfs/dbraw/zinc/76/63/37/582766337.db2.gz PRWPTUPGRIKVTF-YHUYYLMFSA-N 2 0 334.464 -0.076 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](O)CN(C)C(=O)C(=C)C[NH+](C)C ZINC000854609499 584244323 /nfs/dbraw/zinc/24/43/23/584244323.db2.gz RTORYEFXCPLTQW-CQSZACIVSA-N 2 0 326.441 -0.843 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303974666 649993369 /nfs/dbraw/zinc/99/33/69/649993369.db2.gz IEIKVDVQLXVUAP-OAHLLOKOSA-N 2 0 326.489 -0.881 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911236236 650161975 /nfs/dbraw/zinc/16/19/75/650161975.db2.gz NMXZTPNSKCBITA-KRWDZBQOSA-N 2 0 338.452 -0.545 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911236237 650161940 /nfs/dbraw/zinc/16/19/40/650161940.db2.gz NMXZTPNSKCBITA-QGZVFWFLSA-N 2 0 338.452 -0.545 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077194 722301588 /nfs/dbraw/zinc/30/15/88/722301588.db2.gz RHYLRLXITVDJHO-GOEBONIOSA-N 2 0 333.436 -0.510 20 30 EBEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC000958468177 722371418 /nfs/dbraw/zinc/37/14/18/722371418.db2.gz SULREFSRZQKARW-GDBMZVCRSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468488 722371710 /nfs/dbraw/zinc/37/17/10/722371710.db2.gz YKTHISCVORQICN-ZBFHGGJFSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]Cc3nnnn3C)C2)CC1 ZINC000962810406 723328650 /nfs/dbraw/zinc/32/86/50/723328650.db2.gz YXBBPQMWSIDVBS-UHFFFAOYSA-N 2 0 345.451 -0.460 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001051944192 735478360 /nfs/dbraw/zinc/47/83/60/735478360.db2.gz TUORVXMTTGNLSS-HOTGVXAUSA-N 2 0 348.447 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001016335852 728458230 /nfs/dbraw/zinc/45/82/30/728458230.db2.gz GLQWYVQRSCOQMF-MRXNPFEDSA-N 2 0 347.463 -0.453 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC001023128399 729614669 /nfs/dbraw/zinc/61/46/69/729614669.db2.gz CVFZNWDHFHKDQG-GASCZTMLSA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001027233772 730202176 /nfs/dbraw/zinc/20/21/76/730202176.db2.gz KBRMCTUWRGVJJA-AWEZNQCLSA-N 2 0 345.451 -0.507 20 30 EBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055632698 736416730 /nfs/dbraw/zinc/41/67/30/736416730.db2.gz ZASLVPDVPPMYAI-KGLIPLIRSA-N 2 0 335.452 -0.205 20 30 EBEDRP C=CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070303918 740781365 /nfs/dbraw/zinc/78/13/65/740781365.db2.gz ADSZMSWMZQHXQZ-CVEARBPZSA-N 2 0 348.451 -0.084 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@H]32)CC1 ZINC000979086993 805127533 /nfs/dbraw/zinc/12/75/33/805127533.db2.gz JVIQCMQVQHDDQA-WCXIOVBPSA-N 2 0 346.475 -0.111 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1 ZINC000979086061 805127948 /nfs/dbraw/zinc/12/79/48/805127948.db2.gz HGMZMEGAETVOCE-PHZGNYQRSA-N 2 0 332.448 -0.628 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666092 810270028 /nfs/dbraw/zinc/27/00/28/810270028.db2.gz UHIKSDIZLAGBQM-QKPAOTATSA-N 2 0 334.464 -0.097 20 30 EBEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)sc2c1CC[NH2+]C2 ZINC001218552557 810501585 /nfs/dbraw/zinc/50/15/85/810501585.db2.gz JESYLICGHIUVDJ-ZDUSSCGKSA-N 3 0 348.476 -0.046 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2C[NH2+]C3)C1 ZINC001218993052 810552951 /nfs/dbraw/zinc/55/29/51/810552951.db2.gz JATROLKPMWXRHA-MFKMUULPSA-N 2 0 325.390 -0.065 20 30 EBEDRP CN(CC[NH3+])CCNC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC001220517497 811134335 /nfs/dbraw/zinc/13/43/35/811134335.db2.gz OCPPUXPBUOROEI-KRWDZBQOSA-N 2 0 344.463 -0.489 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001223203232 811688724 /nfs/dbraw/zinc/68/87/24/811688724.db2.gz WAYHVPZTZBSDET-QGZVFWFLSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245998022 812558515 /nfs/dbraw/zinc/55/85/15/812558515.db2.gz CVSOORWEZZRJRX-GJZGRUSLSA-N 2 0 343.468 -0.332 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001265460041 813328364 /nfs/dbraw/zinc/32/83/64/813328364.db2.gz WUDVOMWICJVEMZ-OCCSQVGLSA-N 2 0 349.435 -0.895 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265608712 813350020 /nfs/dbraw/zinc/35/00/20/813350020.db2.gz BQEPNFSPIHALDL-OWCLPIDISA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001266733384 813655354 /nfs/dbraw/zinc/65/53/54/813655354.db2.gz RXSNJRYMKSFSGW-GASCZTMLSA-N 2 0 341.477 -0.387 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267070846 813752694 /nfs/dbraw/zinc/75/26/94/813752694.db2.gz QFDMTTVGNMQBFF-OAHLLOKOSA-N 2 0 335.452 -0.060 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267081047 813754444 /nfs/dbraw/zinc/75/44/44/813754444.db2.gz AUYKJLBXLKIHKA-ZDUSSCGKSA-N 2 0 339.440 -0.470 20 30 EBEDRP C[C@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267222383 813793519 /nfs/dbraw/zinc/79/35/19/813793519.db2.gz MEBONHPAQXIBDG-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267589278 813945407 /nfs/dbraw/zinc/94/54/07/813945407.db2.gz IMVHLFHOFBVRGY-HOTGVXAUSA-N 2 0 334.464 -0.142 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268658962 814340979 /nfs/dbraw/zinc/34/09/79/814340979.db2.gz IOUZGMNZBPSHRC-VXGBXAGGSA-N 2 0 325.413 -0.813 20 30 EBEDRP CN(CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C#N)n(C)c1)C2)C(N)=[NH2+] ZINC001268996713 814467638 /nfs/dbraw/zinc/46/76/38/814467638.db2.gz OZFGWGRSZOVAON-UHFFFAOYSA-N 2 0 343.435 -0.244 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001269378003 814669540 /nfs/dbraw/zinc/66/95/40/814669540.db2.gz MCBRSRMZOIPXQJ-OLZOCXBDSA-N 2 0 339.440 -0.423 20 30 EBEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269442237 814694223 /nfs/dbraw/zinc/69/42/23/814694223.db2.gz CIAWEIJZVNNJEV-CQSZACIVSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644442 814755022 /nfs/dbraw/zinc/75/50/22/814755022.db2.gz FUZVERWYEALIMZ-DYVFJYSZSA-N 2 0 335.452 -0.158 20 30 EBEDRP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001270158972 815703847 /nfs/dbraw/zinc/70/38/47/815703847.db2.gz KQHHFVKEMZFYEJ-HNNXBMFYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCN(C(=O)Cc1ncc[nH]1)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001270351450 815757986 /nfs/dbraw/zinc/75/79/86/815757986.db2.gz OOFQRYPJHZKGFX-OAHLLOKOSA-N 2 0 334.420 -0.114 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CCC1 ZINC001272272941 816378800 /nfs/dbraw/zinc/37/88/00/816378800.db2.gz VSAXXUKYESNNFV-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001272545695 816468782 /nfs/dbraw/zinc/46/87/82/816468782.db2.gz ONWUMRPWGIDCNY-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365328 816654601 /nfs/dbraw/zinc/65/46/01/816654601.db2.gz FVVRKTVKFMOAMX-LSDHHAIUSA-N 2 0 340.468 -0.166 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365327 816654682 /nfs/dbraw/zinc/65/46/82/816654682.db2.gz FVVRKTVKFMOAMX-HUUCEWRRSA-N 2 0 340.468 -0.166 20 30 EBEDRP C#CCN1C[C@@]2(CC[N@@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001273728732 816743138 /nfs/dbraw/zinc/74/31/38/816743138.db2.gz YMIGPJNIJWVQEH-SFHVURJKSA-N 2 0 334.464 -0.440 20 30 EBEDRP C=CCOC[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274605660 817034740 /nfs/dbraw/zinc/03/47/40/817034740.db2.gz PXTBFOPRXQLHAH-RDJZCZTQSA-N 2 0 341.452 -0.585 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2cnnn2C)CC1 ZINC001274611822 817040420 /nfs/dbraw/zinc/04/04/20/817040420.db2.gz WRVVPADZPJVFDG-PLNGDYQASA-N 2 0 330.436 -0.078 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC)C[C@@H]3C2)CC1 ZINC001279416284 817929009 /nfs/dbraw/zinc/92/90/09/817929009.db2.gz PLWRRHPNYAPLBV-CALCHBBNSA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001091377125 817975938 /nfs/dbraw/zinc/97/59/38/817975938.db2.gz AEVSMOJVYHEZRK-BCLQGDPASA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001282858886 818504648 /nfs/dbraw/zinc/50/46/48/818504648.db2.gz NRHGVLHRFWTXEU-VQHPVUNQSA-N 2 0 344.459 -0.628 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001283043298 818604649 /nfs/dbraw/zinc/60/46/49/818604649.db2.gz JTSLROUABMBJSE-QEJZJMRPSA-N 2 0 333.436 -0.548 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001284641816 819313873 /nfs/dbraw/zinc/31/38/73/819313873.db2.gz MHRAAYXCZLXVBP-AWEZNQCLSA-N 2 0 334.464 -0.048 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476224 820437445 /nfs/dbraw/zinc/43/74/45/820437445.db2.gz DBESZIMDPTYRKE-UHFFFAOYSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101460682 820797707 /nfs/dbraw/zinc/79/77/07/820797707.db2.gz RSKPOEADPIPMME-RKVPGOIHSA-N 2 0 332.448 -0.532 20 30 EBEDRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001102070400 821019537 /nfs/dbraw/zinc/01/95/37/821019537.db2.gz IRGHYDUYLWIJHH-FMKPAKJESA-N 2 0 337.468 -0.104 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC001103647137 821338358 /nfs/dbraw/zinc/33/83/58/821338358.db2.gz WCECCIDASZZJGR-HUUCEWRRSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)CC1 ZINC001105062491 821575094 /nfs/dbraw/zinc/57/50/94/821575094.db2.gz UBHVHUQZUOKTMB-GDBMZVCRSA-N 2 0 334.464 -0.109 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001316640204 821824715 /nfs/dbraw/zinc/82/47/15/821824715.db2.gz YTPOTXYSSCVMFE-MPGHIAIKSA-N 2 0 332.448 -0.294 20 30 EBEDRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001317092528 822000788 /nfs/dbraw/zinc/00/07/88/822000788.db2.gz DFPXAXBJCOGTNC-DZKIICNBSA-N 2 0 335.452 -0.017 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001317186501 822031062 /nfs/dbraw/zinc/03/10/62/822031062.db2.gz QSZKBIFLIJUEKJ-RBSFLKMASA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317294896 822071589 /nfs/dbraw/zinc/07/15/89/822071589.db2.gz APCVWKODLJJAQK-CVEARBPZSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001317534353 822148944 /nfs/dbraw/zinc/14/89/44/822148944.db2.gz BFFBKKXZRXLBPO-RDJZCZTQSA-N 2 0 337.464 -0.223 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949650 828699280 /nfs/dbraw/zinc/69/92/80/828699280.db2.gz HEPQRWZBEHEMFG-STQMWFEESA-N 2 0 341.456 -0.321 20 30 EBEDRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007684 828713702 /nfs/dbraw/zinc/71/37/02/828713702.db2.gz QSDPKGJXZQEQHK-PMPSAXMXSA-N 2 0 348.451 -0.390 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)CCC)n1 ZINC001130251359 828767181 /nfs/dbraw/zinc/76/71/81/828767181.db2.gz PPTUCTRDBJYEQT-KBPBESRZSA-N 2 0 348.451 -0.142 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130298151 828777030 /nfs/dbraw/zinc/77/70/30/828777030.db2.gz XDSHJEKLKHZPQC-GFCCVEGCSA-N 2 0 325.413 -0.812 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)CC1 ZINC001180204403 833055810 /nfs/dbraw/zinc/05/58/10/833055810.db2.gz PPBHTVOXKKIZGY-JSGCOSHPSA-N 2 0 349.435 -0.895 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001115290663 826496461 /nfs/dbraw/zinc/49/64/61/826496461.db2.gz YJUKFJUCNVOWNB-MWDXBVQZSA-N 2 0 335.448 -0.615 20 30 EBEDRP C#Cc1cccc(NC(=O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC001120574652 827247306 /nfs/dbraw/zinc/24/73/06/827247306.db2.gz NTMWAEMOBGJUOX-QGZVFWFLSA-N 2 0 330.432 -0.196 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653088 833170924 /nfs/dbraw/zinc/17/09/24/833170924.db2.gz VJMRQRJAJHDXHE-OLZOCXBDSA-N 2 0 337.424 -0.717 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122055648 827511940 /nfs/dbraw/zinc/51/19/40/827511940.db2.gz DWDKIMKWZQDIPW-RWQKBRBCSA-N 2 0 347.463 -0.015 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185091529 833346590 /nfs/dbraw/zinc/34/65/90/833346590.db2.gz XFMNEJXXCQFQMT-HUUCEWRRSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615930 833409049 /nfs/dbraw/zinc/40/90/49/833409049.db2.gz MSLDNQOLJDICKK-CQSZACIVSA-N 2 0 336.436 -0.963 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845305 829685798 /nfs/dbraw/zinc/68/57/98/829685798.db2.gz AUGOJEQHTJIMJD-LBPRGKRZSA-N 2 0 325.413 -0.954 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001211233943 837413113 /nfs/dbraw/zinc/41/31/13/837413113.db2.gz RRSKVAAXMKLKAL-QGZVFWFLSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754994 830535522 /nfs/dbraw/zinc/53/55/22/830535522.db2.gz MGEIUIWYYFCJFU-HNNXBMFYSA-N 2 0 332.448 -0.246 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156981 831034648 /nfs/dbraw/zinc/03/46/48/831034648.db2.gz INDHYGHAJGNXIC-LSDHHAIUSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)Nc2cc(C)on2)CC1 ZINC001152334386 831153378 /nfs/dbraw/zinc/15/33/78/831153378.db2.gz DBSZFKKTMWACGG-UHFFFAOYSA-N 2 0 347.419 -0.027 20 30 EBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c1 ZINC001158091493 831627044 /nfs/dbraw/zinc/62/70/44/831627044.db2.gz DGEPSPWNJQLUKM-YOEHRIQHSA-N 2 0 327.388 -0.881 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158169773 831635333 /nfs/dbraw/zinc/63/53/33/831635333.db2.gz UXJKYJGODUXAKG-NEPJUHHUSA-N 2 0 331.438 -0.562 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287779 831643943 /nfs/dbraw/zinc/64/39/43/831643943.db2.gz JWOTUFVXHYFOFY-AWEZNQCLSA-N 2 0 348.451 -0.708 20 30 EBEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167225401 832318793 /nfs/dbraw/zinc/31/87/93/832318793.db2.gz UIFYVVALMOMHHN-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176118664 832657990 /nfs/dbraw/zinc/65/79/90/832657990.db2.gz PSBWHSHAGNOXPC-CYBMUJFWSA-N 2 0 339.440 -0.422 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001176926657 832712341 /nfs/dbraw/zinc/71/23/41/832712341.db2.gz RUWRITYONHXQQZ-ZDUSSCGKSA-N 2 0 333.440 -0.288 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C2)CC1 ZINC001188092688 834001541 /nfs/dbraw/zinc/00/15/41/834001541.db2.gz WBWDZKJEPZOTOP-GOEBONIOSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028173 834594318 /nfs/dbraw/zinc/59/43/18/834594318.db2.gz CWDFNGXISVDQHJ-LSDHHAIUSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488512 834888883 /nfs/dbraw/zinc/88/88/83/834888883.db2.gz OFIDZXJVDKFDJS-LSDHHAIUSA-N 2 0 338.452 -0.765 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@H](O)COC)CC2)CC1 ZINC001198236686 835656954 /nfs/dbraw/zinc/65/69/54/835656954.db2.gz UMTUOIUHFVLGGX-KRWDZBQOSA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOCC)C[C@H]2O)CC1 ZINC001199030664 835752964 /nfs/dbraw/zinc/75/29/64/835752964.db2.gz WEOJVRUUZDVOPB-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCCO1 ZINC001200529067 835980607 /nfs/dbraw/zinc/98/06/07/835980607.db2.gz QMWLPGKBTWNAOH-HNNXBMFYSA-N 2 0 333.436 -0.101 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001200850450 836046362 /nfs/dbraw/zinc/04/63/62/836046362.db2.gz KWLGURYFKBXKEA-CQSZACIVSA-N 2 0 341.431 -0.113 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202165977 836266166 /nfs/dbraw/zinc/26/61/66/836266166.db2.gz SVYHBMOCLJJXKB-OAHLLOKOSA-N 2 0 338.452 -0.717 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NCC#N)C23CCC3)CC1 ZINC001203313058 836417058 /nfs/dbraw/zinc/41/70/58/836417058.db2.gz WMBLFXCGXJCPGY-UONOGXRCSA-N 2 0 347.463 -0.015 20 30 EBEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349207 836423629 /nfs/dbraw/zinc/42/36/29/836423629.db2.gz IMAPKTWCGRBEBI-UHFFFAOYSA-N 2 0 326.441 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001203870304 836484238 /nfs/dbraw/zinc/48/42/38/836484238.db2.gz YRUXDPSOLJHYGL-UHFFFAOYSA-N 2 0 345.447 -0.448 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)CCC1 ZINC001205457948 836568060 /nfs/dbraw/zinc/56/80/60/836568060.db2.gz YUMGQCYRYYBIQB-UHFFFAOYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678378 837318647 /nfs/dbraw/zinc/31/86/47/837318647.db2.gz SXBRGKNBEUYENY-CQSZACIVSA-N 2 0 326.441 -0.553 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685287 837320482 /nfs/dbraw/zinc/32/04/82/837320482.db2.gz RYXWVMCZQHOXQU-LSDHHAIUSA-N 2 0 338.452 -0.717 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330511751 841224802 /nfs/dbraw/zinc/22/48/02/841224802.db2.gz GGEROAFPQNHKNS-CQSZACIVSA-N 2 0 333.436 -0.498 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001332065343 841562822 /nfs/dbraw/zinc/56/28/22/841562822.db2.gz RJFRQYQDXWGMJT-GDBMZVCRSA-N 2 0 334.464 -0.001 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001332663272 841709346 /nfs/dbraw/zinc/70/93/46/841709346.db2.gz MFSIKQVRYRRNMY-INIZCTEOSA-N 2 0 325.453 -0.271 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001481728545 1126046940 /nfs/dbraw/zinc/04/69/40/1126046940.db2.gz MQIXMUYJCQZESA-KGLIPLIRSA-N 2 0 341.431 -0.161 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCS(C)(=O)=O)CC1 ZINC001691619742 1126326346 /nfs/dbraw/zinc/32/63/46/1126326346.db2.gz YURXLXJECZNGPO-UHFFFAOYSA-N 2 0 329.466 -0.576 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCn1cncn1)C1CC1 ZINC001483567648 1126435324 /nfs/dbraw/zinc/43/53/24/1126435324.db2.gz QFOCMWJLECPPGS-CVEARBPZSA-N 2 0 330.436 -0.140 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(CC(=O)NCC#N)C2)C1 ZINC001483845128 1126481603 /nfs/dbraw/zinc/48/16/03/1126481603.db2.gz GXUPVWLQUZRBAL-PBHICJAKSA-N 2 0 333.436 -0.355 20 30 EBEDRP CCC1([NH2+]CC(=O)NCC#N)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819299 1126638133 /nfs/dbraw/zinc/63/81/33/1126638133.db2.gz LMWFQEXDUJJEFO-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485648812 1126776763 /nfs/dbraw/zinc/77/67/63/1126776763.db2.gz CESZEXBCQBPDFO-CABCVRRESA-N 2 0 338.452 -0.719 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001093224400 1128308773 /nfs/dbraw/zinc/30/87/73/1128308773.db2.gz USGCAZNSQDADGG-IJEWVQPXSA-N 2 0 334.464 -0.111 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NC)C2)CC1 ZINC001488967311 1128892298 /nfs/dbraw/zinc/89/22/98/1128892298.db2.gz GEQVJCOSPUIYAJ-GOEBONIOSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490702297 1129249977 /nfs/dbraw/zinc/24/99/77/1129249977.db2.gz ZITWIBWEADZQIN-CJNGLKHVSA-N 2 0 334.464 -0.050 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480680686 1132960839 /nfs/dbraw/zinc/96/08/39/1132960839.db2.gz OOESLKNNBDQPTB-HNNXBMFYSA-N 2 0 335.452 -0.060 20 30 EBEDRP C[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000591419431 377713373 /nfs/dbraw/zinc/71/33/73/377713373.db2.gz YCFQUGLPOUYCOX-CYBMUJFWSA-N 2 0 331.420 -0.088 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000627386429 379576663 /nfs/dbraw/zinc/57/66/63/379576663.db2.gz NZMQYOPGTQKXKT-UHFFFAOYSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CC[C@@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC000638485620 380483844 /nfs/dbraw/zinc/48/38/44/380483844.db2.gz KTPCBMGDKGRIHR-KRWDZBQOSA-N 2 0 335.452 -0.146 20 30 EBEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000305195816 380868390 /nfs/dbraw/zinc/86/83/90/380868390.db2.gz LFRBYUPQMRRZKN-CQSZACIVSA-N 2 0 338.456 -0.489 20 30 EBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329631481 381614826 /nfs/dbraw/zinc/61/48/26/381614826.db2.gz VXMKBGPVMGXZGV-JKSUJKDBSA-N 2 0 339.484 -0.057 20 30 EBEDRP C[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CCOCC1 ZINC000329498665 545740943 /nfs/dbraw/zinc/74/09/43/545740943.db2.gz XWMYYLWQEXQOLR-RRFJBIMHSA-N 2 0 327.473 -0.155 20 30 EBEDRP C#CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000886581132 584665966 /nfs/dbraw/zinc/66/59/66/584665966.db2.gz KPRAYNRKPKVGHV-HNNXBMFYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCC(C(=O)OC)CC1 ZINC000088702615 649971473 /nfs/dbraw/zinc/97/14/73/649971473.db2.gz SNRSUUVPDHIRPP-CQSZACIVSA-N 2 0 325.457 -0.307 20 30 EBEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000172285700 649978933 /nfs/dbraw/zinc/97/89/33/649978933.db2.gz ODUWXAMXPQRCLE-OAHLLOKOSA-N 2 0 337.468 -0.019 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)CCOCC1 ZINC000177004382 649979735 /nfs/dbraw/zinc/97/97/35/649979735.db2.gz WLISVNUKBQIRLQ-UHFFFAOYSA-N 2 0 327.473 -0.406 20 30 EBEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261956345 649985574 /nfs/dbraw/zinc/98/55/74/649985574.db2.gz IWJISFAFFZGXDS-OAHLLOKOSA-N 2 0 338.500 -0.391 20 30 EBEDRP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262422190 649987513 /nfs/dbraw/zinc/98/75/13/649987513.db2.gz BKORDSJQMCLUOJ-ZDUSSCGKSA-N 2 0 331.486 -0.329 20 30 EBEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303876444 649992806 /nfs/dbraw/zinc/99/28/06/649992806.db2.gz FATJPVGBZMLLRJ-MRXNPFEDSA-N 2 0 340.516 -0.361 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1CCOC ZINC000303984503 649992989 /nfs/dbraw/zinc/99/29/89/649992989.db2.gz SBJXDVSNHPPZQI-HNNXBMFYSA-N 2 0 327.473 -0.406 20 30 EBEDRP N#C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000912536000 650206966 /nfs/dbraw/zinc/20/69/66/650206966.db2.gz QRCAKWGKJDGAPF-HNNXBMFYSA-N 2 0 333.436 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000919517384 650302334 /nfs/dbraw/zinc/30/23/34/650302334.db2.gz QDSJUZABEANHLL-HNNXBMFYSA-N 2 0 349.479 -0.029 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC000962769200 723321052 /nfs/dbraw/zinc/32/10/52/723321052.db2.gz DRUWGLMSWRSNLC-VQFNDLOPSA-N 2 0 344.459 -0.390 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)CC1 ZINC001021093086 729282197 /nfs/dbraw/zinc/28/21/97/729282197.db2.gz YQWZKFNLUKVPTC-SHTZXODSSA-N 2 0 330.436 -0.103 20 30 EBEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001026145744 730125353 /nfs/dbraw/zinc/12/53/53/730125353.db2.gz CIDWOHBXMYRKTE-ARKGTOAJSA-N 2 0 332.448 -0.229 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001029003577 730382973 /nfs/dbraw/zinc/38/29/73/730382973.db2.gz NXXLHVWSNXLZQA-GDBMZVCRSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463792 734207554 /nfs/dbraw/zinc/20/75/54/734207554.db2.gz SUEVPTJGOATHPB-BFKWJSRZSA-N 2 0 333.432 -0.624 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)COC)C[C@@H]2O)CC1 ZINC001047638105 734294594 /nfs/dbraw/zinc/29/45/94/734294594.db2.gz BTCDKDUTXDOJDW-PVAVHDDUSA-N 2 0 337.464 -0.130 20 30 EBEDRP C=CCOCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055544100 736377001 /nfs/dbraw/zinc/37/70/01/736377001.db2.gz MUDMKOFUHFUEJL-UHFFFAOYSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CCOCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633382 736417152 /nfs/dbraw/zinc/41/71/52/736417152.db2.gz LXMRLIUXLLUGND-UHFFFAOYSA-N 2 0 340.468 -0.163 20 30 EBEDRP CC#CCN1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980127 740644923 /nfs/dbraw/zinc/64/49/23/740644923.db2.gz CUKUWBIJLVOGKA-CABCVRRESA-N 2 0 327.392 -0.152 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CC1 ZINC001078818676 743739703 /nfs/dbraw/zinc/73/97/03/743739703.db2.gz BANFHPMXFVHHKG-LSDHHAIUSA-N 2 0 332.448 -0.166 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000990514648 808820253 /nfs/dbraw/zinc/82/02/53/808820253.db2.gz QZQVRQQQLPHMOD-INIZCTEOSA-N 2 0 332.448 -0.247 20 30 EBEDRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215551622 810335853 /nfs/dbraw/zinc/33/58/53/810335853.db2.gz UZSVFTYGQJXDAU-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001216837664 810394404 /nfs/dbraw/zinc/39/44/04/810394404.db2.gz LTRDPCHOOABJGT-GDBMZVCRSA-N 2 0 334.464 -0.144 20 30 EBEDRP N#Cc1c(NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)sc2c1CC[NH2+]C2 ZINC001218553373 810502307 /nfs/dbraw/zinc/50/23/07/810502307.db2.gz PKLRDPSPUGZXGZ-LBPRGKRZSA-N 2 0 331.401 -0.318 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001221893580 811558005 /nfs/dbraw/zinc/55/80/05/811558005.db2.gz CJXNRTLDCIWEIP-INIZCTEOSA-N 2 0 337.468 -0.743 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001222044375 811585289 /nfs/dbraw/zinc/58/52/89/811585289.db2.gz ZRKNVOHTLJMIRR-FGTMMUONSA-N 2 0 349.475 -0.128 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001223240473 811691619 /nfs/dbraw/zinc/69/16/19/811691619.db2.gz YKGUAHHWYNEDOY-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001224546126 811764552 /nfs/dbraw/zinc/76/45/52/811764552.db2.gz INZMJFYKJZYKTN-GDBMZVCRSA-N 2 0 334.464 -0.238 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001226295914 811858642 /nfs/dbraw/zinc/85/86/42/811858642.db2.gz BCVNBWPJGWVNLJ-ARFHVFGLSA-N 2 0 347.463 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267494313 813916060 /nfs/dbraw/zinc/91/60/60/813916060.db2.gz RLQHREUYTAXQRR-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267558586 813929623 /nfs/dbraw/zinc/92/96/23/813929623.db2.gz CAGBQAUPGDUEHR-QLFBSQMISA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001268673623 814347822 /nfs/dbraw/zinc/34/78/22/814347822.db2.gz ISOYJHCAUQAXLB-NEPJUHHUSA-N 2 0 337.424 -0.991 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]CC(=O)NCC#N)cc2)C1 ZINC001270082395 815683651 /nfs/dbraw/zinc/68/36/51/815683651.db2.gz WPQUFIUSPPRMIW-INIZCTEOSA-N 2 0 343.431 -0.016 20 30 EBEDRP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001270158974 815704074 /nfs/dbraw/zinc/70/40/74/815704074.db2.gz KQHHFVKEMZFYEJ-OAHLLOKOSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001084090049 815826751 /nfs/dbraw/zinc/82/67/51/815826751.db2.gz HQQXEJYFKFUKQD-MSOLQXFVSA-N 2 0 349.475 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001084090408 815827264 /nfs/dbraw/zinc/82/72/64/815827264.db2.gz YSDJFMGLYRYBRW-NXHRZFHOSA-N 2 0 349.475 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001271426505 816103632 /nfs/dbraw/zinc/10/36/32/816103632.db2.gz MGFJZTDAJLAYKL-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001271880311 816243007 /nfs/dbraw/zinc/24/30/07/816243007.db2.gz LCDQLQWJNHNCLV-MELADBBJSA-N 2 0 329.404 -0.520 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272320425 816398338 /nfs/dbraw/zinc/39/83/38/816398338.db2.gz AKKVDTKRVCCING-KGLIPLIRSA-N 2 0 333.436 -0.404 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)CC[C@@H]3C2)CC1 ZINC001088212080 816649174 /nfs/dbraw/zinc/64/91/74/816649174.db2.gz NYOSZASJCYKQRJ-SJORKVTESA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001273728255 816742912 /nfs/dbraw/zinc/74/29/12/816742912.db2.gz IMVKWAWAGLMHHG-LJQANCHMSA-N 2 0 348.491 -0.192 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001274008722 816840958 /nfs/dbraw/zinc/84/09/58/816840958.db2.gz VEEPOOJRXQAWCF-UHFFFAOYSA-N 2 0 348.447 -0.913 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C2)CC1 ZINC001278690097 817794491 /nfs/dbraw/zinc/79/44/91/817794491.db2.gz NPRLZTGKAXYJRU-OAHLLOKOSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873129 817876876 /nfs/dbraw/zinc/87/68/76/817876876.db2.gz AQNXQCGALSOLEZ-HOTGVXAUSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372772 817921314 /nfs/dbraw/zinc/92/13/14/817921314.db2.gz ZYCZSVDZQZCOEN-MWDXBVQZSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372776 817921796 /nfs/dbraw/zinc/92/17/96/817921796.db2.gz ZYCZSVDZQZCOEN-NXOAAHMSSA-N 2 0 346.475 -0.001 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279370738 817921834 /nfs/dbraw/zinc/92/18/34/817921834.db2.gz ITFYAFWLRDFSDY-ZNMIVQPWSA-N 2 0 333.436 -0.499 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001280074801 818017893 /nfs/dbraw/zinc/01/78/93/818017893.db2.gz VRYOVBPNQCPJNP-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)CC1 ZINC001283830718 818990933 /nfs/dbraw/zinc/99/09/33/818990933.db2.gz FQUNYYLBAXRUBK-QGZVFWFLSA-N 2 0 337.464 -0.175 20 30 EBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001098374052 819156298 /nfs/dbraw/zinc/15/62/98/819156298.db2.gz SWRCXSZASNYGRR-SJORKVTESA-N 2 0 335.448 -0.232 20 30 EBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001098374050 819156453 /nfs/dbraw/zinc/15/64/53/819156453.db2.gz SWRCXSZASNYGRR-IAGOWNOFSA-N 2 0 335.448 -0.232 20 30 EBEDRP CC(C)(C)[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001284644189 819314706 /nfs/dbraw/zinc/31/47/06/819314706.db2.gz ZVDIIKCESBHZJN-ZDUSSCGKSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100872937 820586720 /nfs/dbraw/zinc/58/67/20/820586720.db2.gz OQOCCPDVDOHWKT-WLYUNCDWSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001101025154 820654417 /nfs/dbraw/zinc/65/44/17/820654417.db2.gz XOFHKWMZWVMUDE-VQCLRJIVSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101349127 820762617 /nfs/dbraw/zinc/76/26/17/820762617.db2.gz ZBWQZLBPDJERTJ-APWZRJJASA-N 2 0 346.475 -0.142 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102090980 821023419 /nfs/dbraw/zinc/02/34/19/821023419.db2.gz MPRMAEVXRGETPP-KFWWJZLASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780710 821211820 /nfs/dbraw/zinc/21/18/20/821211820.db2.gz LEKROXMRGZXSSE-OAGGEKHMSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361386 821720152 /nfs/dbraw/zinc/72/01/52/821720152.db2.gz ZCYCDNKNQXOBNS-UHFFFAOYSA-N 2 0 336.440 -0.095 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001316623225 821819561 /nfs/dbraw/zinc/81/95/61/821819561.db2.gz GPKRYDUUVPYMRN-GASCZTMLSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317333992 822086783 /nfs/dbraw/zinc/08/67/83/822086783.db2.gz PJOHPZRWPIVLPT-XHSDSOJGSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106591536 822292608 /nfs/dbraw/zinc/29/26/08/822292608.db2.gz FJLANJXTAUOGRK-HUUCEWRRSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666337 822307880 /nfs/dbraw/zinc/30/78/80/822307880.db2.gz KXWMRJHPTKPNAU-BZUAXINKSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666336 822308197 /nfs/dbraw/zinc/30/81/97/822308197.db2.gz KXWMRJHPTKPNAU-ARFHVFGLSA-N 2 0 334.464 -0.238 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128773513 828524302 /nfs/dbraw/zinc/52/43/02/828524302.db2.gz AKRHLAJHXYOYPF-CYBMUJFWSA-N 2 0 339.440 -0.422 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799041 824439081 /nfs/dbraw/zinc/43/90/81/824439081.db2.gz KONUKFOVJXBXST-JYJNAYRXSA-N 2 0 344.459 -0.199 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005646 828712715 /nfs/dbraw/zinc/71/27/15/828712715.db2.gz BAEAJSVYSKWHBM-XHSDSOJGSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005792 828712730 /nfs/dbraw/zinc/71/27/30/828712730.db2.gz HJAIPOOBZYMNLM-OAGGEKHMSA-N 2 0 330.436 -0.015 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112578494 825458596 /nfs/dbraw/zinc/45/85/96/825458596.db2.gz RGYMPDUVLOQIRT-MPGHIAIKSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578322 825458674 /nfs/dbraw/zinc/45/86/74/825458674.db2.gz JMCKDQJMQOELSX-GJYPPUQNSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]2C)CC1 ZINC001180204463 833054730 /nfs/dbraw/zinc/05/47/30/833054730.db2.gz SXBNWPJZYHKTCO-XIRDDKMYSA-N 2 0 337.464 -0.082 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)CC1 ZINC001180204103 833054869 /nfs/dbraw/zinc/05/48/69/833054869.db2.gz GSKQSWVGOQAEEI-HOCLYGCPSA-N 2 0 345.447 -0.450 20 30 EBEDRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2)[NH+](C)C ZINC001121302230 827338402 /nfs/dbraw/zinc/33/84/02/827338402.db2.gz SPMFAQCXTWCCLO-OPFKTAGGSA-N 2 0 335.452 -0.017 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474365 828297158 /nfs/dbraw/zinc/29/71/58/828297158.db2.gz LOOCEUGVVJGFLF-OAHLLOKOSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563305 828304027 /nfs/dbraw/zinc/30/40/27/828304027.db2.gz VYCUMRMLEDJBGB-CYBMUJFWSA-N 2 0 336.440 -0.545 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817527 828946185 /nfs/dbraw/zinc/94/61/85/828946185.db2.gz RERCJUDXOJVJST-HZSPNIEDSA-N 2 0 346.435 -0.185 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867758 828983212 /nfs/dbraw/zinc/98/32/12/828983212.db2.gz OVMIKFNAOXIWPB-UHFFFAOYSA-N 2 0 344.375 -0.335 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108136 829045355 /nfs/dbraw/zinc/04/53/55/829045355.db2.gz KPZYYLOGRHWAQI-HZPDHXFCSA-N 2 0 347.463 -0.094 20 30 EBEDRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133310674 829619391 /nfs/dbraw/zinc/61/93/91/829619391.db2.gz QGFMGEQZMOCMFH-CABCVRRESA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133416006 829630361 /nfs/dbraw/zinc/63/03/61/829630361.db2.gz YJPSEQZSOPAZOH-CYBMUJFWSA-N 2 0 327.429 -0.710 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021200 829712992 /nfs/dbraw/zinc/71/29/92/829712992.db2.gz UXUXUORTRRHSCK-CABCVRRESA-N 2 0 340.468 -0.116 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001211233941 837413162 /nfs/dbraw/zinc/41/31/62/837413162.db2.gz RRSKVAAXMKLKAL-KRWDZBQOSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001146582284 830209590 /nfs/dbraw/zinc/20/95/90/830209590.db2.gz FWKLMSJLUAOINB-LSDHHAIUSA-N 2 0 347.463 -0.156 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582950 830367751 /nfs/dbraw/zinc/36/77/51/830367751.db2.gz KAEWISUPXWTGSD-BZUAXINKSA-N 2 0 346.475 -0.001 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900506 830428999 /nfs/dbraw/zinc/42/89/99/830428999.db2.gz OXHANMCSOWIRQU-QWHCGFSZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051676 830444205 /nfs/dbraw/zinc/44/42/05/830444205.db2.gz QSBADBVWDZXHQY-UHFFFAOYSA-N 2 0 348.407 -0.521 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748427 830536483 /nfs/dbraw/zinc/53/64/83/830536483.db2.gz SCOPMQCTRAFPAE-HUUCEWRRSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748528 830537418 /nfs/dbraw/zinc/53/74/18/830537418.db2.gz SCOPMQCTRAFPAE-LSDHHAIUSA-N 2 0 332.448 -0.390 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073929 831021457 /nfs/dbraw/zinc/02/14/57/831021457.db2.gz SPTANQJNEAPSMR-NWDGAFQWSA-N 2 0 325.413 -0.956 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCN(CC=C)C2=O)CC1 ZINC001152324401 831151717 /nfs/dbraw/zinc/15/17/17/831151717.db2.gz UDNNYYAFAOJRGN-MRXNPFEDSA-N 2 0 332.448 -0.176 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)CC1 ZINC001152329759 831151951 /nfs/dbraw/zinc/15/19/51/831151951.db2.gz ANXDQINOQNOMDB-CQSZACIVSA-N 2 0 343.493 -0.282 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC=C)CC1 ZINC001152334416 831152860 /nfs/dbraw/zinc/15/28/60/831152860.db2.gz FJPKRJMJBDUNMN-UHFFFAOYSA-N 2 0 349.435 -0.951 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427141 831848487 /nfs/dbraw/zinc/84/84/87/831848487.db2.gz NSGKIGCJTOHGRD-AWEZNQCLSA-N 2 0 341.456 -0.320 20 30 EBEDRP N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160878587 831902917 /nfs/dbraw/zinc/90/29/17/831902917.db2.gz LJVPNOYGNZEABT-IHRRRGAJSA-N 2 0 337.424 -0.815 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164535679 832194953 /nfs/dbraw/zinc/19/49/53/832194953.db2.gz AFEJAKJCSHUNFE-LSDHHAIUSA-N 2 0 338.452 -0.671 20 30 EBEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167225400 832318232 /nfs/dbraw/zinc/31/82/32/832318232.db2.gz UIFYVVALMOMHHN-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176170062 832661372 /nfs/dbraw/zinc/66/13/72/832661372.db2.gz SCOMJSXIARRNRM-AWEZNQCLSA-N 2 0 326.441 -0.647 20 30 EBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185214 832661992 /nfs/dbraw/zinc/66/19/92/832661992.db2.gz ULCXDCUWLNLTKJ-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001188118060 834006864 /nfs/dbraw/zinc/00/68/64/834006864.db2.gz FHQUCBGFJXEAER-DOTOQJQBSA-N 2 0 344.459 -0.340 20 30 EBEDRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001188139871 834013560 /nfs/dbraw/zinc/01/35/60/834013560.db2.gz TWUQVRRNXCIVDT-ZBFHGGJFSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801451 834193759 /nfs/dbraw/zinc/19/37/59/834193759.db2.gz GWLQTMGZAQZMBY-HRCADAONSA-N 2 0 344.459 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001190318026 834255928 /nfs/dbraw/zinc/25/59/28/834255928.db2.gz MERBRTKDMADDIZ-RCCFBDPRSA-N 2 0 349.475 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]2O)CC1 ZINC001199030775 835753097 /nfs/dbraw/zinc/75/30/97/835753097.db2.gz YWCQOPBLIMQLFD-DJIMGWMZSA-N 2 0 337.464 -0.346 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200115516 835910898 /nfs/dbraw/zinc/91/08/98/835910898.db2.gz NAPJNEKIRRPVDV-GJZGRUSLSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800165 836193267 /nfs/dbraw/zinc/19/32/67/836193267.db2.gz FDNYDFVOMNCABJ-OAHLLOKOSA-N 2 0 338.452 -0.715 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203354317 836424351 /nfs/dbraw/zinc/42/43/51/836424351.db2.gz AACDBIRLCPMTSS-CQSZACIVSA-N 2 0 332.448 -0.199 20 30 EBEDRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576950 836448607 /nfs/dbraw/zinc/44/86/07/836448607.db2.gz LTQQITRYLKJHLW-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612847 836453487 /nfs/dbraw/zinc/45/34/87/836453487.db2.gz ADKFUWAFTTZPNH-KBPBESRZSA-N 2 0 345.447 -0.261 20 30 EBEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641017 836456730 /nfs/dbraw/zinc/45/67/30/836456730.db2.gz MBIDHJOELQMIBX-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732008 836468959 /nfs/dbraw/zinc/46/89/59/836468959.db2.gz UQLSVYOJIBWXRM-GJZGRUSLSA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H](O)COC)CC2)CC1 ZINC001203869677 836484149 /nfs/dbraw/zinc/48/41/49/836484149.db2.gz MACKWBARZTWGHB-KRWDZBQOSA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001206901413 836701164 /nfs/dbraw/zinc/70/11/64/836701164.db2.gz UTOJRKCHHFHUJX-SFHVURJKSA-N 2 0 347.463 -0.060 20 30 EBEDRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001210282768 837265214 /nfs/dbraw/zinc/26/52/14/837265214.db2.gz JWZDGTDPTSODPN-HNNXBMFYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210667576 837316785 /nfs/dbraw/zinc/31/67/85/837316785.db2.gz HAPILHRYOHGJSZ-HUUCEWRRSA-N 2 0 340.468 -0.164 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678376 837319397 /nfs/dbraw/zinc/31/93/97/837319397.db2.gz SXBRGKNBEUYENY-AWEZNQCLSA-N 2 0 326.441 -0.553 20 30 EBEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319575652 838152586 /nfs/dbraw/zinc/15/25/86/838152586.db2.gz YWXYMGRODFZHCG-ZIAGYGMSSA-N 2 0 339.440 -0.969 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001323001608 839318104 /nfs/dbraw/zinc/31/81/04/839318104.db2.gz YWQQJIAFOIIKIP-GJZGRUSLSA-N 2 0 333.436 -0.548 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813498 839718757 /nfs/dbraw/zinc/71/87/57/839718757.db2.gz OAOBPUXVOPTXFB-YOEHRIQHSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001327608304 840472717 /nfs/dbraw/zinc/47/27/17/840472717.db2.gz XDTCWMVJCKWPCJ-QGZVFWFLSA-N 2 0 338.452 -0.673 20 30 EBEDRP OC[C@H]([NH2+]CC#CC[NH2+][C@H](CO)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC001331379194 841399347 /nfs/dbraw/zinc/39/93/47/841399347.db2.gz GVQCJESSCCRSMS-USTZCAOPSA-N 2 0 340.464 -0.256 20 30 EBEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001481124331 1125927569 /nfs/dbraw/zinc/92/75/69/1125927569.db2.gz OTKAGOURNKBALX-GJZGRUSLSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001482172544 1126090289 /nfs/dbraw/zinc/09/02/89/1126090289.db2.gz WOPWZAMPXJDHRK-HNNXBMFYSA-N 2 0 332.448 -0.577 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482742150 1126274048 /nfs/dbraw/zinc/27/40/48/1126274048.db2.gz PNJQXXSPKJROIS-AWEZNQCLSA-N 2 0 338.452 -0.769 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691588977 1126323067 /nfs/dbraw/zinc/32/30/67/1126323067.db2.gz FITDFMCSDBNXHY-NUEKZKHPSA-N 2 0 347.463 -0.158 20 30 EBEDRP COCC#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691606856 1126325117 /nfs/dbraw/zinc/32/51/17/1126325117.db2.gz VSVRKAQOYZQUJB-INIZCTEOSA-N 2 0 325.453 -0.005 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCS(C)(=O)=O)CC1 ZINC001691623490 1126326519 /nfs/dbraw/zinc/32/65/19/1126326519.db2.gz YKQSQZUNBVADCB-UHFFFAOYSA-N 2 0 343.493 -0.186 20 30 EBEDRP N#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001484413652 1126571323 /nfs/dbraw/zinc/57/13/23/1126571323.db2.gz SDEIMXGADKEKBW-OKILXGFUSA-N 2 0 331.420 -0.888 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001484688789 1126622214 /nfs/dbraw/zinc/62/22/14/1126622214.db2.gz MULJVYBPCVCEDQ-GJZGRUSLSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CCCO)C2)CC1 ZINC001485651459 1126778814 /nfs/dbraw/zinc/77/88/14/1126778814.db2.gz UQZOVQSOHTZISR-WBVHZDCISA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643598 1126786495 /nfs/dbraw/zinc/78/64/95/1126786495.db2.gz LHBJXAKNDLNMGR-UONOGXRCSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485643912 1126787380 /nfs/dbraw/zinc/78/73/80/1126787380.db2.gz MRIIBZZKMFLLCI-CABCVRRESA-N 2 0 338.452 -0.717 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643599 1126787469 /nfs/dbraw/zinc/78/74/69/1126787469.db2.gz LHBJXAKNDLNMGR-ZIAGYGMSSA-N 2 0 326.441 -0.554 20 30 EBEDRP C[N@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001485757609 1126820314 /nfs/dbraw/zinc/82/03/14/1126820314.db2.gz KZBBHICRTFIEEC-INIZCTEOSA-N 2 0 347.463 -0.109 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001486167703 1127053183 /nfs/dbraw/zinc/05/31/83/1127053183.db2.gz TVCAJMRANJHJDH-BZUAXINKSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001489208339 1128931791 /nfs/dbraw/zinc/93/17/91/1128931791.db2.gz RTAMWLJYOTXXJJ-CVEARBPZSA-N 2 0 332.448 -0.388 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264626 1130378314 /nfs/dbraw/zinc/37/83/14/1130378314.db2.gz UEIIPCNFOBIJDH-GJZGRUSLSA-N 2 0 335.452 -0.061 20 30 EBEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000261704411 379223676 /nfs/dbraw/zinc/22/36/76/379223676.db2.gz JKWQAUJHPFVVGV-CQSZACIVSA-N 2 0 347.467 -0.014 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627386769 379576683 /nfs/dbraw/zinc/57/66/83/379576683.db2.gz XBZVUBTUNNRYOJ-UHFFFAOYSA-N 2 0 326.441 -0.505 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000571941306 381629568 /nfs/dbraw/zinc/62/95/68/381629568.db2.gz AWUIGJOFCVKRDS-LSDHHAIUSA-N 2 0 335.452 -0.020 20 30 EBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330008671 381704569 /nfs/dbraw/zinc/70/45/69/381704569.db2.gz FQINRFJHYHDLAU-INIZCTEOSA-N 2 0 339.484 -0.057 20 30 EBEDRP C#C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000809309334 583676910 /nfs/dbraw/zinc/67/69/10/583676910.db2.gz OQJXBGLDXVJFFZ-GJZGRUSLSA-N 2 0 338.452 -0.765 20 30 EBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000844195636 584091396 /nfs/dbraw/zinc/09/13/96/584091396.db2.gz XNTGLOJDJFJBDO-HUUCEWRRSA-N 2 0 328.420 -0.179 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCO[C@@H](COC)C1 ZINC000261782062 649984809 /nfs/dbraw/zinc/98/48/09/649984809.db2.gz FKUJOPAAFMGXBM-HUUCEWRRSA-N 2 0 325.457 -0.701 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2ccccn2)CC1 ZINC000262796135 649988098 /nfs/dbraw/zinc/98/80/98/649988098.db2.gz PMYQQDFIQHANKZ-MRXNPFEDSA-N 2 0 343.479 -0.221 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NCCN1CCC[N@H+](C)CC1 ZINC000303888285 649993170 /nfs/dbraw/zinc/99/31/70/649993170.db2.gz OVIHTCMTELIKHC-UHFFFAOYSA-N 2 0 326.489 -0.879 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303768976 649993329 /nfs/dbraw/zinc/99/33/29/649993329.db2.gz ARICWRCJORGWBK-INIZCTEOSA-N 2 0 341.500 -0.160 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC000911236049 650161844 /nfs/dbraw/zinc/16/18/44/650161844.db2.gz LRWQIJACXALZTH-HNNXBMFYSA-N 2 0 338.452 -0.410 20 30 EBEDRP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1C#N ZINC000912534968 650206779 /nfs/dbraw/zinc/20/67/79/650206779.db2.gz ILQSTVZGQALRLP-KKUMJFAQSA-N 2 0 333.436 -0.262 20 30 EBEDRP C[NH+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C#N)C1 ZINC000912535971 650207071 /nfs/dbraw/zinc/20/70/71/650207071.db2.gz PRVYXVGCMVCPFL-RRFJBIMHSA-N 2 0 333.436 -0.547 20 30 EBEDRP CC1[C@H](C(=O)NCC#CC[NH+](C)C)[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913523662 650235515 /nfs/dbraw/zinc/23/55/15/650235515.db2.gz HZBXJYNHUYDBEH-HOTGVXAUSA-N 2 0 332.448 -0.769 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC000945183641 653360776 /nfs/dbraw/zinc/36/07/76/653360776.db2.gz RMSPLQYSFCFAIJ-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076627 722301386 /nfs/dbraw/zinc/30/13/86/722301386.db2.gz ITMGCBGSJVAQOA-HOCLYGCPSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001019816041 728998902 /nfs/dbraw/zinc/99/89/02/728998902.db2.gz RLRDWWDTGFQNMO-INIZCTEOSA-N 2 0 347.463 -0.453 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001023128809 729614793 /nfs/dbraw/zinc/61/47/93/729614793.db2.gz UDQLEMUJEVILLF-GASCZTMLSA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H](C)COC)C[C@@H]2O)CC1 ZINC001047638106 734294826 /nfs/dbraw/zinc/29/48/26/734294826.db2.gz BTCDKDUTXDOJDW-XIRDDKMYSA-N 2 0 337.464 -0.130 20 30 EBEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578923 736391984 /nfs/dbraw/zinc/39/19/84/736391984.db2.gz ZXNUQFMEMJWYGX-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578881 736392442 /nfs/dbraw/zinc/39/24/42/736392442.db2.gz YWBPWECNZJWYRM-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC000980477701 805910000 /nfs/dbraw/zinc/91/00/00/805910000.db2.gz JGDNXUSTLQYVRA-CVEARBPZSA-N 2 0 332.448 -0.247 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214646868 810270332 /nfs/dbraw/zinc/27/03/32/810270332.db2.gz ZVYOSTZYNSNQGV-BPLDGKMQSA-N 2 0 333.436 -0.596 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453510 810329235 /nfs/dbraw/zinc/32/92/35/810329235.db2.gz FYZPKJHURDDIDH-IJEWVQPXSA-N 2 0 334.464 -0.097 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001216842600 810395128 /nfs/dbraw/zinc/39/51/28/810395128.db2.gz HFSCNBMDCBIRDQ-IIAWOOMASA-N 2 0 334.464 -0.097 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001216842601 810395238 /nfs/dbraw/zinc/39/52/38/810395238.db2.gz HFSCNBMDCBIRDQ-IJEWVQPXSA-N 2 0 334.464 -0.097 20 30 EBEDRP N#Cc1c(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)sc2c1CC[NH2+]C2 ZINC001218552189 810500865 /nfs/dbraw/zinc/50/08/65/810500865.db2.gz CNTWSDUOGKAMRG-LLVKDONJSA-N 2 0 333.417 -0.466 20 30 EBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)c1 ZINC001219764492 810831200 /nfs/dbraw/zinc/83/12/00/810831200.db2.gz HBGRIVPPFDGFEE-IKGGRYGDSA-N 2 0 327.432 -0.162 20 30 EBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220415503 811100002 /nfs/dbraw/zinc/10/00/02/811100002.db2.gz MQFYFEHWUJLPBN-LLVKDONJSA-N 2 0 335.368 -0.942 20 30 EBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643217 811186332 /nfs/dbraw/zinc/18/63/32/811186332.db2.gz VWDIOHDGYVXWJE-CVEARBPZSA-N 2 0 341.452 -0.539 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221149174 811392246 /nfs/dbraw/zinc/39/22/46/811392246.db2.gz YFPHFABJIXOBSZ-HNNXBMFYSA-N 2 0 336.417 -0.717 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001221893581 811558512 /nfs/dbraw/zinc/55/85/12/811558512.db2.gz CJXNRTLDCIWEIP-MRXNPFEDSA-N 2 0 337.468 -0.743 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001228604187 811991131 /nfs/dbraw/zinc/99/11/31/811991131.db2.gz YKWQJNNQNPOZKF-RBSFLKMASA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H](O)COC)CC2)CC1 ZINC001230344618 812105502 /nfs/dbraw/zinc/10/55/02/812105502.db2.gz CSOQMIHMXXLQAX-KRWDZBQOSA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238677580 812531176 /nfs/dbraw/zinc/53/11/76/812531176.db2.gz LATPBPPMDVGZCI-ZDUSSCGKSA-N 2 0 333.454 -0.115 20 30 EBEDRP C=CCC1(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001239130742 812545990 /nfs/dbraw/zinc/54/59/90/812545990.db2.gz FDHSHRGMRAYDQE-UHFFFAOYSA-N 2 0 332.470 -0.459 20 30 EBEDRP C=CCN1CCN(C)C2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)C1=O ZINC001246739083 812584346 /nfs/dbraw/zinc/58/43/46/812584346.db2.gz IVVGREZLZNVPSP-INIZCTEOSA-N 2 0 347.507 -0.125 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264393736 813170184 /nfs/dbraw/zinc/17/01/84/813170184.db2.gz JRUWWJVPEQUTBZ-QLFBSQMISA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264408521 813172202 /nfs/dbraw/zinc/17/22/02/813172202.db2.gz KRPJUOAGYLTCGJ-YHUYYLMFSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001264440867 813176943 /nfs/dbraw/zinc/17/69/43/813176943.db2.gz QDKPFHBRFWDHLW-DJIMGWMZSA-N 2 0 337.464 -0.177 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266067138 813449892 /nfs/dbraw/zinc/44/98/92/813449892.db2.gz IZJMSJMGGNKKNF-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP COCC#CCN1CC[NH+](CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001266277517 813506278 /nfs/dbraw/zinc/50/62/78/813506278.db2.gz DSJYFXDZTGUOLY-UHFFFAOYSA-N 2 0 336.480 -0.144 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266529580 813598858 /nfs/dbraw/zinc/59/88/58/813598858.db2.gz GAZUETLBMKKGGM-QWHCGFSZSA-N 2 0 327.404 -0.503 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267042367 813744273 /nfs/dbraw/zinc/74/42/73/813744273.db2.gz YWSIYJCGQYKXFO-QLFBSQMISA-N 2 0 335.452 -0.205 20 30 EBEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001267593304 813944149 /nfs/dbraw/zinc/94/41/49/813944149.db2.gz HWBUDLCFFKGOCY-GDBMZVCRSA-N 2 0 337.468 -0.007 20 30 EBEDRP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267589277 813944286 /nfs/dbraw/zinc/94/42/86/813944286.db2.gz IMVHLFHOFBVRGY-CVEARBPZSA-N 2 0 334.464 -0.142 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644441 814754558 /nfs/dbraw/zinc/75/45/58/814754558.db2.gz FUZVERWYEALIMZ-CXAGYDPISA-N 2 0 335.452 -0.158 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001270812066 815900910 /nfs/dbraw/zinc/90/09/10/815900910.db2.gz KFSMMPYEASGYON-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272320428 816399120 /nfs/dbraw/zinc/39/91/20/816399120.db2.gz AKKVDTKRVCCING-ZIAGYGMSSA-N 2 0 333.436 -0.404 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN[C@H](C)c2nncn2C)CC1 ZINC001272584439 816486346 /nfs/dbraw/zinc/48/63/46/816486346.db2.gz OGYZTUUKHIWILW-UKRRQHHQSA-N 2 0 348.451 -0.712 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001273309397 816639896 /nfs/dbraw/zinc/63/98/96/816639896.db2.gz YFCKCFYYFUIJFM-ZIAGYGMSSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001275729732 817284429 /nfs/dbraw/zinc/28/44/29/817284429.db2.gz OQFLHSZJXSWFSI-DZGCQCFKSA-N 2 0 348.447 -0.427 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC001277094514 817520449 /nfs/dbraw/zinc/52/04/49/817520449.db2.gz XQMFGGCAUJMKGY-ZIAGYGMSSA-N 2 0 343.431 -0.178 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001278017675 817677503 /nfs/dbraw/zinc/67/75/03/817677503.db2.gz MQLHCJSMGPGDNW-HUUCEWRRSA-N 2 0 338.452 -0.859 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278823003 817851668 /nfs/dbraw/zinc/85/16/68/817851668.db2.gz VYLVPQHTNVIWJV-WBVHZDCISA-N 2 0 325.453 -0.225 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001278840700 817859129 /nfs/dbraw/zinc/85/91/29/817859129.db2.gz ZGAVYHJJZDQJSR-HZPDHXFCSA-N 2 0 325.453 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)COC)CC1 ZINC001278839377 817859525 /nfs/dbraw/zinc/85/95/25/817859525.db2.gz POJSJDVLVPJSPR-HOCLYGCPSA-N 2 0 325.453 -0.225 20 30 EBEDRP C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279007361 817900983 /nfs/dbraw/zinc/90/09/83/817900983.db2.gz YSLUKDZWHMDSLK-UONOGXRCSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001281193016 818072160 /nfs/dbraw/zinc/07/21/60/818072160.db2.gz PPGZRPHMVKKWJT-QGZVFWFLSA-N 2 0 338.452 -0.981 20 30 EBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282014992 818332400 /nfs/dbraw/zinc/33/24/00/818332400.db2.gz SBTZEUSGHOIVGJ-NRXISQOPSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N(C)C)C2)CC1 ZINC001283111668 818658003 /nfs/dbraw/zinc/65/80/03/818658003.db2.gz TXTXJBJFDUXOAR-KOMQPUFPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001098498069 819218051 /nfs/dbraw/zinc/21/80/51/819218051.db2.gz HGHCTPBKEDJEKF-UHFFFAOYSA-N 2 0 347.463 -0.023 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001284436227 819232022 /nfs/dbraw/zinc/23/20/22/819232022.db2.gz QVVIPYQUOXHWPD-KGLIPLIRSA-N 2 0 326.441 -0.818 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCOC)C[C@@H]2O)CC1 ZINC001100121626 820251548 /nfs/dbraw/zinc/25/15/48/820251548.db2.gz DOELDXBAQFDHFH-IRXDYDNUSA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534819 820460049 /nfs/dbraw/zinc/46/00/49/820460049.db2.gz DOSVNHWYBWLJGK-PUJMQQBBSA-N 2 0 347.463 -0.015 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001101037157 820661844 /nfs/dbraw/zinc/66/18/44/820661844.db2.gz BKBKGGGDVSADCB-NRXISQOPSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171770 820709037 /nfs/dbraw/zinc/70/90/37/820709037.db2.gz KXBJKUUWDRTWRG-VKJFTORMSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431472 820788367 /nfs/dbraw/zinc/78/83/67/820788367.db2.gz PNVJNXDUMDFKJR-QAPCUYQASA-N 2 0 344.459 -0.388 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370153 821081239 /nfs/dbraw/zinc/08/12/39/821081239.db2.gz SIKSMBKRBMVEDD-RBSFLKMASA-N 2 0 335.452 -0.348 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001317067670 821993360 /nfs/dbraw/zinc/99/33/60/821993360.db2.gz XMQKYHDEYOQNHK-ZDUSSCGKSA-N 2 0 339.440 -0.470 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317333442 822085860 /nfs/dbraw/zinc/08/58/60/822085860.db2.gz GCLNYWQXFKRVCX-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317627658 822184074 /nfs/dbraw/zinc/18/40/74/822184074.db2.gz VUVJWRHDBPWXAH-CYBMUJFWSA-N 2 0 339.440 -0.612 20 30 EBEDRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106881410 822348262 /nfs/dbraw/zinc/34/82/62/822348262.db2.gz DVGMDOWKZKYFTH-RBSFLKMASA-N 2 0 335.452 -0.348 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533201 828471075 /nfs/dbraw/zinc/47/10/75/828471075.db2.gz JAFKIQNUXYDALX-GFCCVEGCSA-N 2 0 345.419 -0.616 20 30 EBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433676 828618241 /nfs/dbraw/zinc/61/82/41/828618241.db2.gz LOBBOARJRUOQJS-OAGGEKHMSA-N 2 0 348.451 -0.226 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129855598 828681271 /nfs/dbraw/zinc/68/12/71/828681271.db2.gz HKXCEFDEPIJFCV-CYBMUJFWSA-N 2 0 339.440 -0.422 20 30 EBEDRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130047865 828721864 /nfs/dbraw/zinc/72/18/64/828721864.db2.gz XKBQPWUTSKCFSL-CVEARBPZSA-N 2 0 348.451 -0.389 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086238 828729767 /nfs/dbraw/zinc/72/97/67/828729767.db2.gz RAUVJZLBZWELHW-OAGGEKHMSA-N 2 0 330.436 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130305813 828778391 /nfs/dbraw/zinc/77/83/91/828778391.db2.gz LUQSBPGIUJMEHM-OLZOCXBDSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899406 833121002 /nfs/dbraw/zinc/12/10/02/833121002.db2.gz LNZXZYUJQAFNMX-RVKKMQEKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867045 827969430 /nfs/dbraw/zinc/96/94/30/827969430.db2.gz QSARTVJVSWTRQP-NEPJUHHUSA-N 2 0 325.413 -0.813 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240558 833284577 /nfs/dbraw/zinc/28/45/77/833284577.db2.gz KJFBBYLTTHKZSG-HZPDHXFCSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183978281 833315335 /nfs/dbraw/zinc/31/53/35/833315335.db2.gz SQGPULCDGSNNQT-CQSZACIVSA-N 2 0 325.372 -0.112 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127558912 828302963 /nfs/dbraw/zinc/30/29/63/828302963.db2.gz VFYISHCKHGKVAG-OAHLLOKOSA-N 2 0 348.451 -0.449 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196814 829070153 /nfs/dbraw/zinc/07/01/53/829070153.db2.gz YZSCVUWFQDNLIO-UHFFFAOYSA-N 2 0 328.376 -0.111 20 30 EBEDRP C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133245763 829610142 /nfs/dbraw/zinc/61/01/42/829610142.db2.gz KKJLGYSMVTTWJA-GJZGRUSLSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001133311530 829619748 /nfs/dbraw/zinc/61/97/48/829619748.db2.gz ZUUVKUTYRDPJML-CVEARBPZSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833970 829681105 /nfs/dbraw/zinc/68/11/05/829681105.db2.gz KWISKDULUSBGLW-OLZOCXBDSA-N 2 0 339.440 -0.423 20 30 EBEDRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1 ZINC001133893730 829695376 /nfs/dbraw/zinc/69/53/76/829695376.db2.gz OAEFREJZRKXCQN-UHFFFAOYSA-N 2 0 331.420 -0.250 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001146582283 830209863 /nfs/dbraw/zinc/20/98/63/830209863.db2.gz FWKLMSJLUAOINB-HUUCEWRRSA-N 2 0 347.463 -0.156 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611920 830517611 /nfs/dbraw/zinc/51/76/11/830517611.db2.gz RWCPOFSPDILNFY-OAHLLOKOSA-N 2 0 344.459 -0.246 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)CC1 ZINC001148827537 830545071 /nfs/dbraw/zinc/54/50/71/830545071.db2.gz FLWQNVILDVFMRI-UHFFFAOYSA-N 2 0 349.475 -0.125 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCc2ccco2)CC1 ZINC001152334579 831152853 /nfs/dbraw/zinc/15/28/53/831152853.db2.gz IXQJZWARDCFOLD-UHFFFAOYSA-N 2 0 346.431 -0.053 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC2CCC2)CC1 ZINC001152334552 831152910 /nfs/dbraw/zinc/15/29/10/831152910.db2.gz GZTTXLFFOAEBHH-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001152334844 831153288 /nfs/dbraw/zinc/15/32/88/831153288.db2.gz RHPSQDBOXMOYFF-UHFFFAOYSA-N 2 0 349.435 -0.974 20 30 EBEDRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)C1CC1 ZINC001165485243 832222987 /nfs/dbraw/zinc/22/29/87/832222987.db2.gz QFLHAYKGSSUYCC-HNNXBMFYSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167232920 832319551 /nfs/dbraw/zinc/31/95/51/832319551.db2.gz UQGPULYCZFQWGY-CQSZACIVSA-N 2 0 335.452 -0.156 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168145936 832399039 /nfs/dbraw/zinc/39/90/39/832399039.db2.gz BPRRFBPYOXNKMC-CABCVRRESA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168756062 832434531 /nfs/dbraw/zinc/43/45/31/832434531.db2.gz UNZCQUCAYLILRA-UHFFFAOYSA-N 2 0 327.429 -0.564 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530879 832466021 /nfs/dbraw/zinc/46/60/21/832466021.db2.gz HUGMBCDTTVSZPK-CQSZACIVSA-N 2 0 338.452 -0.669 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176170066 832661331 /nfs/dbraw/zinc/66/13/31/832661331.db2.gz SCOMJSXIARRNRM-CQSZACIVSA-N 2 0 326.441 -0.647 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200657766 836010025 /nfs/dbraw/zinc/01/00/25/836010025.db2.gz AVCJSLHKBQDZEE-CVEARBPZSA-N 2 0 348.447 -0.820 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034845 836082923 /nfs/dbraw/zinc/08/29/23/836082923.db2.gz YEXIZNGEYDLTSN-NDUQDZPOSA-N 2 0 333.432 -0.310 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872421 836208830 /nfs/dbraw/zinc/20/88/30/836208830.db2.gz OQPPMSAWNXMGAM-OAHLLOKOSA-N 2 0 348.447 -0.961 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]C[C@H](C)O)C2)CC1 ZINC001202140623 836261500 /nfs/dbraw/zinc/26/15/00/836261500.db2.gz CERUWKWSVWGFFN-DOTOQJQBSA-N 2 0 337.464 -0.081 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C23CCC3)CC1 ZINC001203313059 836417042 /nfs/dbraw/zinc/41/70/42/836417042.db2.gz WMBLFXCGXJCPGY-ZIAGYGMSSA-N 2 0 347.463 -0.015 20 30 EBEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203512815 836440584 /nfs/dbraw/zinc/44/05/84/836440584.db2.gz DAQUZNXXASMZGZ-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612857 836453154 /nfs/dbraw/zinc/45/31/54/836453154.db2.gz AFGYMDOURWVAKV-HUUCEWRRSA-N 2 0 344.459 -0.151 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612858 836453404 /nfs/dbraw/zinc/45/34/04/836453404.db2.gz AFGYMDOURWVAKV-LSDHHAIUSA-N 2 0 344.459 -0.151 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205315091 836559265 /nfs/dbraw/zinc/55/92/65/836559265.db2.gz ZTVUJWJFJIMPQF-KRWDZBQOSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684190 837318155 /nfs/dbraw/zinc/31/81/55/837318155.db2.gz FTPJQNYDHBUYLB-HUUCEWRRSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001319283725 838099186 /nfs/dbraw/zinc/09/91/86/838099186.db2.gz FCEBMVWBWPYEHZ-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261914 838734014 /nfs/dbraw/zinc/73/40/14/838734014.db2.gz FSCNYGOOHDJXKT-CVEARBPZSA-N 2 0 325.453 -0.175 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001320315585 838756064 /nfs/dbraw/zinc/75/60/64/838756064.db2.gz JLNJFUAVPFLBBW-SJORKVTESA-N 2 0 337.464 -0.033 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326351118 840090505 /nfs/dbraw/zinc/09/05/05/840090505.db2.gz FJIFJAZJDCXFLK-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001327050963 840288088 /nfs/dbraw/zinc/28/80/88/840288088.db2.gz ZQEWYZONCBBRJS-AWEZNQCLSA-N 2 0 336.436 -0.799 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 ZINC001331055818 841324275 /nfs/dbraw/zinc/32/42/75/841324275.db2.gz FHDQXVYLUANCDQ-OAHLLOKOSA-N 2 0 327.404 -0.598 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332529897 841662083 /nfs/dbraw/zinc/66/20/83/841662083.db2.gz QVVIPYQUOXHWPD-ZIAGYGMSSA-N 2 0 326.441 -0.818 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)C[C@H]1C[NH+](C)C ZINC001335107360 842194467 /nfs/dbraw/zinc/19/44/67/842194467.db2.gz QXVYFXAFCKSDDW-ARFHVFGLSA-N 2 0 349.479 -0.054 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@](C)(C#N)C1 ZINC001336444267 842462200 /nfs/dbraw/zinc/46/22/00/842462200.db2.gz XDUKIOILIKQSQF-MRXNPFEDSA-N 2 0 339.440 -0.921 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001691263487 1125846493 /nfs/dbraw/zinc/84/64/93/1125846493.db2.gz TVGLOHGMQSYSMC-SOUVJXGZSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NCC=C)CC2)CC1 ZINC001483795630 1126478271 /nfs/dbraw/zinc/47/82/71/1126478271.db2.gz ZJLIJEGNBWCRPH-UHFFFAOYSA-N 2 0 332.448 -0.128 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687669 1126622053 /nfs/dbraw/zinc/62/20/53/1126622053.db2.gz MEQGUHZXEVTOJB-OAHLLOKOSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001484963149 1126656770 /nfs/dbraw/zinc/65/67/70/1126656770.db2.gz MVEKUQLFUKMHMW-UHFFFAOYSA-N 2 0 338.452 -0.979 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001671059683 1127287699 /nfs/dbraw/zinc/28/76/99/1127287699.db2.gz OOWCBXPJEXWANJ-HNNXBMFYSA-N 2 0 347.463 -0.108 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001491067343 1130310935 /nfs/dbraw/zinc/31/09/35/1130310935.db2.gz MZCSODPNMHBBDQ-OKILXGFUSA-N 2 0 338.452 -0.364 20 30 EBEDRP [NH2+]=C(NCCCN1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000128573854 376878764 /nfs/dbraw/zinc/87/87/64/376878764.db2.gz JWXAMWFYBWKZQW-UHFFFAOYSA-N 2 0 325.373 -0.582 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261650102 379221063 /nfs/dbraw/zinc/22/10/63/379221063.db2.gz FBFJEPWZGWBSHG-AWEZNQCLSA-N 2 0 347.467 -0.014 20 30 EBEDRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC#CC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000348185730 381337864 /nfs/dbraw/zinc/33/78/64/381337864.db2.gz QNZWLPHVMXQXCE-FPCVCCKLSA-N 2 0 334.464 -0.002 20 30 EBEDRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000348185731 381339241 /nfs/dbraw/zinc/33/92/41/381339241.db2.gz QNZWLPHVMXQXCE-FZKCQIBNSA-N 2 0 334.464 -0.002 20 30 EBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000329631480 381615280 /nfs/dbraw/zinc/61/52/80/381615280.db2.gz VXMKBGPVMGXZGV-HOTGVXAUSA-N 2 0 339.484 -0.057 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632172 382023934 /nfs/dbraw/zinc/02/39/34/382023934.db2.gz XKXTXDDNVSMQJH-NWDGAFQWSA-N 2 0 325.413 -0.826 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652690089 419006337 /nfs/dbraw/zinc/00/63/37/419006337.db2.gz AZDLSHSKLPAYEF-UKRRQHHQSA-N 2 0 338.452 -0.425 20 30 EBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000329397296 545739814 /nfs/dbraw/zinc/73/98/14/545739814.db2.gz XTFCHACRNBLBJX-CQSZACIVSA-N 2 0 327.473 -0.153 20 30 EBEDRP C[NH+]=C(NCCCN(C)CC[NH+](C)C)NCCN1CCOCC1 ZINC000849079393 584165793 /nfs/dbraw/zinc/16/57/93/584165793.db2.gz LTELHMAYWXEUPX-UHFFFAOYSA-N 2 0 328.505 -0.633 20 30 EBEDRP N#Cc1ccc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cn1 ZINC000872146809 584458448 /nfs/dbraw/zinc/45/84/48/584458448.db2.gz XUTKWNPNRSSCQD-UHFFFAOYSA-N 2 0 328.420 -0.103 20 30 EBEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261648588 649984529 /nfs/dbraw/zinc/98/45/29/649984529.db2.gz DXJNZPVVVNMSOH-HNNXBMFYSA-N 2 0 347.467 -0.016 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC[C@H](CC(N)=O)C1 ZINC000261741650 649984857 /nfs/dbraw/zinc/98/48/57/649984857.db2.gz KRPZYJZZJSRUMJ-HUUCEWRRSA-N 2 0 336.484 -0.461 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC[C@@H](CC(N)=O)C1 ZINC000261741655 649984942 /nfs/dbraw/zinc/98/49/42/649984942.db2.gz KRPZYJZZJSRUMJ-LSDHHAIUSA-N 2 0 336.484 -0.461 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2nc(C)nn2C1 ZINC000261833877 649985495 /nfs/dbraw/zinc/98/54/95/649985495.db2.gz ONGOPPQGINNFJW-LSDHHAIUSA-N 2 0 346.483 -0.544 20 30 EBEDRP CCOC(=O)C1CCN(C(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1 ZINC000262785735 649988161 /nfs/dbraw/zinc/98/81/61/649988161.db2.gz MHEPWCGMYHYWMC-OAHLLOKOSA-N 2 0 337.468 -0.163 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000911236822 650161980 /nfs/dbraw/zinc/16/19/80/650161980.db2.gz SKGNEGKCVXYMFN-OAHLLOKOSA-N 2 0 338.452 -0.410 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC000930006395 651576270 /nfs/dbraw/zinc/57/62/70/651576270.db2.gz FGXVLUPUVJWRAH-HNNXBMFYSA-N 2 0 340.468 -0.164 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)CC1 ZINC000941677911 652876879 /nfs/dbraw/zinc/87/68/79/652876879.db2.gz YKEWQFXNJFQBNP-UHFFFAOYSA-N 2 0 348.491 -0.458 20 30 EBEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962298948 723220850 /nfs/dbraw/zinc/22/08/50/723220850.db2.gz PYMHUFDZFFPTRX-XUWVNRHRSA-N 2 0 344.459 -0.085 20 30 EBEDRP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC000999975872 726546239 /nfs/dbraw/zinc/54/62/39/726546239.db2.gz RMCKFDRDHFVZPQ-HUUCEWRRSA-N 2 0 332.408 -0.895 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001000993107 726586305 /nfs/dbraw/zinc/58/63/05/726586305.db2.gz QRFZZYOIRWFRFU-HOTGVXAUSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001011160218 727478422 /nfs/dbraw/zinc/47/84/22/727478422.db2.gz QIPXNTDJHGWDPU-KRWDZBQOSA-N 2 0 346.475 -0.046 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001051944193 735478123 /nfs/dbraw/zinc/47/81/23/735478123.db2.gz TUORVXMTTGNLSS-HZPDHXFCSA-N 2 0 348.447 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC001021092882 729281972 /nfs/dbraw/zinc/28/19/72/729281972.db2.gz UDQLEMUJEVILLF-SHTZXODSSA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001027234456 730202292 /nfs/dbraw/zinc/20/22/92/730202292.db2.gz XKJTYSKZJTXZSE-GDBMZVCRSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@H](C)OC)C[C@@H]2O)CC1 ZINC001047638462 734294978 /nfs/dbraw/zinc/29/49/78/734294978.db2.gz UBDNSIMAOASMGI-XIRDDKMYSA-N 2 0 337.464 -0.130 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227165 743545555 /nfs/dbraw/zinc/54/55/55/743545555.db2.gz LXIYTNOWTDXTAI-DJIMGWMZSA-N 2 0 335.448 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001078228638 743547544 /nfs/dbraw/zinc/54/75/44/743547544.db2.gz YSDJFMGLYRYBRW-CGTJXYLNSA-N 2 0 349.475 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCNC3=O)C2)CC1 ZINC000980477702 805909882 /nfs/dbraw/zinc/90/98/82/805909882.db2.gz JGDNXUSTLQYVRA-HOTGVXAUSA-N 2 0 332.448 -0.247 20 30 EBEDRP N#Cc1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)sc2c1CC[NH2+]C2 ZINC001218552552 810501059 /nfs/dbraw/zinc/50/10/59/810501059.db2.gz JESYLICGHIUVDJ-CYBMUJFWSA-N 3 0 348.476 -0.046 20 30 EBEDRP N#Cc1ccc([C@H](C(=O)NC[C@H]2COCC[NH2+]2)N2CC[NH2+]CC2)cc1 ZINC001220431096 811105806 /nfs/dbraw/zinc/10/58/06/811105806.db2.gz AJBGNMGKJGJRIY-DLBZAZTESA-N 2 0 343.431 -0.391 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225155321 811795727 /nfs/dbraw/zinc/79/57/27/811795727.db2.gz SZSYJWTUDLTTPD-UHFFFAOYSA-N 2 0 332.448 -0.340 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001226295916 811858523 /nfs/dbraw/zinc/85/85/23/811858523.db2.gz BCVNBWPJGWVNLJ-BZUAXINKSA-N 2 0 347.463 -0.015 20 30 EBEDRP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001251840621 812634817 /nfs/dbraw/zinc/63/48/17/812634817.db2.gz RGIWRCVVXWLFIE-BRWVUGGUSA-N 2 0 326.437 -0.334 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001263880706 813133034 /nfs/dbraw/zinc/13/30/34/813133034.db2.gz XOFHKWMZWVMUDE-IIAWOOMASA-N 2 0 334.464 -0.050 20 30 EBEDRP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C2CC2)CC1 ZINC001265374400 813314035 /nfs/dbraw/zinc/31/40/35/813314035.db2.gz LSDRVGZTEDHRAS-HNNXBMFYSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)CC1 ZINC001268333365 814212503 /nfs/dbraw/zinc/21/25/03/814212503.db2.gz DDVFMCJQUNURSG-WBVHZDCISA-N 2 0 337.464 -0.175 20 30 EBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268661847 814342181 /nfs/dbraw/zinc/34/21/81/814342181.db2.gz MLYWPUZLRJIEPY-MLGOLLRUSA-N 2 0 341.431 -0.067 20 30 EBEDRP CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)n(C)c1)C(N)=[NH2+] ZINC001268997207 814468292 /nfs/dbraw/zinc/46/82/92/814468292.db2.gz WYYJAIYYTABBLY-GJZGRUSLSA-N 2 0 343.435 -0.103 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797841 815609320 /nfs/dbraw/zinc/60/93/20/815609320.db2.gz DBZAKBANUFOIHG-LSDHHAIUSA-N 2 0 335.452 -0.204 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271211132 816036548 /nfs/dbraw/zinc/03/65/48/816036548.db2.gz VCIWPDXBNXLQMY-GOSISDBHSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001086277926 816290049 /nfs/dbraw/zinc/29/00/49/816290049.db2.gz AEVSMOJVYHEZRK-IMJJTQAJSA-N 2 0 332.448 -0.296 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272320417 816398821 /nfs/dbraw/zinc/39/88/21/816398821.db2.gz AKKVDTKRVCCING-KBPBESRZSA-N 2 0 333.436 -0.404 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272320426 816398952 /nfs/dbraw/zinc/39/89/52/816398952.db2.gz AKKVDTKRVCCING-UONOGXRCSA-N 2 0 333.436 -0.404 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001272537666 816464914 /nfs/dbraw/zinc/46/49/14/816464914.db2.gz VNGWOQUPCMSIHW-GJZGRUSLSA-N 2 0 338.452 -0.933 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@H](C)c2nnc(C)[nH]2)CC1 ZINC001272584410 816486799 /nfs/dbraw/zinc/48/67/99/816486799.db2.gz NPZGLHWUVLHIIC-DOMZBBRYSA-N 2 0 348.451 -0.414 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001276618142 817440780 /nfs/dbraw/zinc/44/07/80/817440780.db2.gz ISNUZRBZKFUTIP-CQSZACIVSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@@H]2CCNC2=O)C2CC2)CC1 ZINC001276712731 817458038 /nfs/dbraw/zinc/45/80/38/817458038.db2.gz ZJSDHKSKMKPARO-HZPDHXFCSA-N 2 0 332.448 -0.296 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882610 817882702 /nfs/dbraw/zinc/88/27/02/817882702.db2.gz KOWQKOIYLDNEPQ-HZPDHXFCSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001279910782 818004594 /nfs/dbraw/zinc/00/45/94/818004594.db2.gz BSXPLKAAZZNYNE-INIZCTEOSA-N 2 0 337.464 -0.221 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001280074802 818017799 /nfs/dbraw/zinc/01/77/99/818017799.db2.gz VRYOVBPNQCPJNP-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001098370968 819156830 /nfs/dbraw/zinc/15/68/30/819156830.db2.gz DOLDDMOOCPFDBA-UHFFFAOYSA-N 2 0 347.463 -0.023 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785522 820552999 /nfs/dbraw/zinc/55/29/99/820552999.db2.gz OAAMDXPSOXSMIJ-UHFFFAOYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870598 820585512 /nfs/dbraw/zinc/58/55/12/820585512.db2.gz JXXZOBORHBPUSK-WLYUNCDWSA-N 2 0 338.452 -0.813 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001101024978 820654104 /nfs/dbraw/zinc/65/41/04/820654104.db2.gz PMIWLEUUPAGFHZ-UHFFFAOYSA-N 2 0 349.435 -0.989 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001101025153 820654180 /nfs/dbraw/zinc/65/41/80/820654180.db2.gz XOFHKWMZWVMUDE-HLIUYOAVSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001101976156 820980268 /nfs/dbraw/zinc/98/02/68/820980268.db2.gz LVDNAFNSAIXHRH-BMFZPTHFSA-N 2 0 347.463 -0.348 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782965 821211106 /nfs/dbraw/zinc/21/11/06/821211106.db2.gz RURUFOXROLCGKS-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316660911 821827107 /nfs/dbraw/zinc/82/71/07/821827107.db2.gz VYBVPWCOBQVMAA-SOUVJXGZSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317333441 822085833 /nfs/dbraw/zinc/08/58/33/822085833.db2.gz GCLNYWQXFKRVCX-GJZGRUSLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106370990 822258526 /nfs/dbraw/zinc/25/85/26/822258526.db2.gz LJGKSUXRMLNIAE-HUUCEWRRSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129850312 828681686 /nfs/dbraw/zinc/68/16/86/828681686.db2.gz XGYSDPIBHHYZQY-BBWFWOEESA-N 2 0 342.447 -0.015 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001130247119 828765656 /nfs/dbraw/zinc/76/56/56/828765656.db2.gz VTZKFWOINOTOLT-KBPBESRZSA-N 2 0 348.451 -0.142 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123662 826427753 /nfs/dbraw/zinc/42/77/53/826427753.db2.gz UDONFHOBKPZSMK-KBXIAJHMSA-N 2 0 330.432 -0.734 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]2C)CC1 ZINC001180204151 833055299 /nfs/dbraw/zinc/05/52/99/833055299.db2.gz IWRDWPIKMAQAFU-HOCLYGCPSA-N 2 0 334.464 -0.001 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001180898595 833121089 /nfs/dbraw/zinc/12/10/89/833121089.db2.gz BPUZMCHMLODBDU-CKEIUWERSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120833931 827264511 /nfs/dbraw/zinc/26/45/11/827264511.db2.gz CJHDQZUBVTXUAU-LZZBAHKZSA-N 2 0 332.448 -0.153 20 30 EBEDRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121654767 827417892 /nfs/dbraw/zinc/41/78/92/827417892.db2.gz YNXJCDRZSKCBQI-UHFFFAOYSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121772883 827446950 /nfs/dbraw/zinc/44/69/50/827446950.db2.gz JTRJFSBMYWXSMU-ITFIPKOWSA-N 2 0 346.475 -0.050 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001122178128 827537721 /nfs/dbraw/zinc/53/77/21/827537721.db2.gz WJEBMMLAERXXJN-FBVPLBQTSA-N 2 0 333.436 -0.405 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182981325 833272124 /nfs/dbraw/zinc/27/21/24/833272124.db2.gz GAZUETLBMKKGGM-OLZOCXBDSA-N 2 0 327.404 -0.503 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576424 833295662 /nfs/dbraw/zinc/29/56/62/833295662.db2.gz LWMYTEGLMRTIHJ-OAHLLOKOSA-N 2 0 332.448 -0.198 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062034 829035436 /nfs/dbraw/zinc/03/54/36/829035436.db2.gz SFPOBFRNRHSGLX-HZPDHXFCSA-N 2 0 347.463 -0.094 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520425 829152670 /nfs/dbraw/zinc/15/26/70/829152670.db2.gz XSIRAUCOWYXCDU-QRHJNKNDSA-N 2 0 348.447 -0.658 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833969 829681112 /nfs/dbraw/zinc/68/11/12/829681112.db2.gz KWISKDULUSBGLW-CHWSQXEVSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850599 829687264 /nfs/dbraw/zinc/68/72/64/829687264.db2.gz NWPPWDOKGYLLFY-OLZOCXBDSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968168 829707704 /nfs/dbraw/zinc/70/77/04/829707704.db2.gz QBUGMCXIJHWPOQ-RYUDHWBXSA-N 2 0 327.429 -0.567 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020962 829713307 /nfs/dbraw/zinc/71/33/07/829713307.db2.gz MIHWXLXFUBPRBT-CABCVRRESA-N 2 0 338.452 -0.669 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134054486 829718707 /nfs/dbraw/zinc/71/87/07/829718707.db2.gz LHYZECXNUWUFIO-CQSZACIVSA-N 2 0 326.441 -0.505 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152149563 831134850 /nfs/dbraw/zinc/13/48/50/831134850.db2.gz YQOSGYNNUAYPQR-BETUJISGSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001152334420 831153332 /nfs/dbraw/zinc/15/33/32/831153332.db2.gz FRYALZSLZOZNAI-INIZCTEOSA-N 2 0 333.436 -0.705 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152452165 831164621 /nfs/dbraw/zinc/16/46/21/831164621.db2.gz VKYXGAZRQAUGCG-ZDUSSCGKSA-N 2 0 339.440 -0.422 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091740 831627148 /nfs/dbraw/zinc/62/71/48/831627148.db2.gz HPCFDWXJPVXDLM-YJBOKZPZSA-N 2 0 341.415 -0.491 20 30 EBEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158101060 831628291 /nfs/dbraw/zinc/62/82/91/831628291.db2.gz GTCSJKATGZXSPX-PBHICJAKSA-N 2 0 327.388 -0.361 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159916179 831796887 /nfs/dbraw/zinc/79/68/87/831796887.db2.gz OVLFRECTHIECPX-AWEZNQCLSA-N 2 0 339.440 -0.566 20 30 EBEDRP N#Cc1ccc(N2CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)nc1 ZINC001160603017 831870408 /nfs/dbraw/zinc/87/04/08/831870408.db2.gz NKUUWCIVBWPROB-OAHLLOKOSA-N 2 0 340.431 -0.199 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951328 831909230 /nfs/dbraw/zinc/90/92/30/831909230.db2.gz HGOXUUWIXXZBGS-UHFFFAOYSA-N 2 0 340.468 -0.257 20 30 EBEDRP C#CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001351386922 832233494 /nfs/dbraw/zinc/23/34/94/832233494.db2.gz IVEGOGZEKJLNQU-UHFFFAOYSA-N 2 0 338.452 -0.763 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232412 832319040 /nfs/dbraw/zinc/31/90/40/832319040.db2.gz BNWKDEKNXOHZLL-OAHLLOKOSA-N 2 0 334.464 -0.046 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052611 832391562 /nfs/dbraw/zinc/39/15/62/832391562.db2.gz SYSQBPRWYSANIJ-CQSZACIVSA-N 2 0 348.451 -0.708 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176096543 832657038 /nfs/dbraw/zinc/65/70/38/832657038.db2.gz UXZVVSZIFSGWRZ-STQMWFEESA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176158296 832660201 /nfs/dbraw/zinc/66/02/01/832660201.db2.gz WKPYNRQLAIUFSM-OAHLLOKOSA-N 2 0 340.468 -0.421 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176158295 832660366 /nfs/dbraw/zinc/66/03/66/832660366.db2.gz WKPYNRQLAIUFSM-HNNXBMFYSA-N 2 0 340.468 -0.421 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001188118061 834007350 /nfs/dbraw/zinc/00/73/50/834007350.db2.gz FHQUCBGFJXEAER-NVXWUHKLSA-N 2 0 344.459 -0.340 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201317270 836128679 /nfs/dbraw/zinc/12/86/79/836128679.db2.gz HIDMPBCEVYTJFH-LSDHHAIUSA-N 2 0 340.468 -0.164 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201431212 836146296 /nfs/dbraw/zinc/14/62/96/836146296.db2.gz XFFCAXSICITMDN-GJZGRUSLSA-N 2 0 340.468 -0.164 20 30 EBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862604 836207245 /nfs/dbraw/zinc/20/72/45/836207245.db2.gz GEHPUXXOUFVNQL-MRXNPFEDSA-N 2 0 341.452 -0.579 20 30 EBEDRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001202518267 836310276 /nfs/dbraw/zinc/31/02/76/836310276.db2.gz QSWWKVYPSMOGJG-UHFFFAOYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C23CCC3)CC1 ZINC001203333902 836420684 /nfs/dbraw/zinc/42/06/84/836420684.db2.gz WTKFKGOWNPHBMK-CABCVRRESA-N 2 0 347.463 -0.015 20 30 EBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205526303 836575301 /nfs/dbraw/zinc/57/53/01/836575301.db2.gz OJHFWPMKZJRZHC-OAHLLOKOSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208262064 836965040 /nfs/dbraw/zinc/96/50/40/836965040.db2.gz XJRRHIRNBIPFOO-LSDHHAIUSA-N 2 0 340.443 -0.004 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491461 837065926 /nfs/dbraw/zinc/06/59/26/837065926.db2.gz JCJBHJMMXWANDZ-HNNXBMFYSA-N 2 0 332.448 -0.055 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)CC1 ZINC001320314653 838754748 /nfs/dbraw/zinc/75/47/48/838754748.db2.gz FKALRFPUQOHQHV-KRWDZBQOSA-N 2 0 330.432 -0.007 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2cc(C)no2)CC1 ZINC001320315557 838756286 /nfs/dbraw/zinc/75/62/86/838756286.db2.gz JAKCDQROEXBPGZ-OAHLLOKOSA-N 2 0 334.420 -0.105 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769652 839713283 /nfs/dbraw/zinc/71/32/83/839713283.db2.gz GAWIGCTWKFLVDT-WMLDXEAASA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001324814543 839718972 /nfs/dbraw/zinc/71/89/72/839718972.db2.gz UZLBWFPMUWBGSW-QAPCUYQASA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@](CO)([NH2+]CCCO)C2)CC1 ZINC001327608579 840472809 /nfs/dbraw/zinc/47/28/09/840472809.db2.gz ZBTWRWNSPHFVJS-GOSISDBHSA-N 2 0 337.464 -0.343 20 30 EBEDRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001328017183 840569722 /nfs/dbraw/zinc/56/97/22/840569722.db2.gz JDOCLTDPJJDSCF-UHFFFAOYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001332065349 841563078 /nfs/dbraw/zinc/56/30/78/841563078.db2.gz RJFRQYQDXWGMJT-HOCLYGCPSA-N 2 0 334.464 -0.001 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C#N)C2)C[C@H]1C[NH+](C)C ZINC001335107364 842194505 /nfs/dbraw/zinc/19/45/05/842194505.db2.gz QXVYFXAFCKSDDW-BZUAXINKSA-N 2 0 349.479 -0.054 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117641 1125925562 /nfs/dbraw/zinc/92/55/62/1125925562.db2.gz CJOWEYXPIXWSCX-GJZGRUSLSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001482900314 1126300372 /nfs/dbraw/zinc/30/03/72/1126300372.db2.gz AMTLVWXWAQRRHX-ZDUSSCGKSA-N 2 0 348.451 -0.562 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483240578 1126409230 /nfs/dbraw/zinc/40/92/30/1126409230.db2.gz SQMXPTWDLGPKNJ-AWEZNQCLSA-N 2 0 338.452 -0.812 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@]1(O)CC[N@H+](CC#CCOC)C1 ZINC001484220954 1126530586 /nfs/dbraw/zinc/53/05/86/1126530586.db2.gz GMLUGLCKHXRZLR-WBVHZDCISA-N 2 0 343.443 -0.131 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C2)CC1 ZINC001484356272 1126565064 /nfs/dbraw/zinc/56/50/64/1126565064.db2.gz BQCJWXZLGBMGBV-GDBMZVCRSA-N 2 0 334.464 -0.096 20 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DISZSZNQWBKSKL-HIFRSBDPSA-N 2 0 338.452 -0.412 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000734466805 582872901 /nfs/dbraw/zinc/87/29/01/582872901.db2.gz NGWJEYXVJHCIIH-GOSISDBHSA-N 2 0 348.491 -0.146 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000852865351 584217736 /nfs/dbraw/zinc/21/77/36/584217736.db2.gz AAKGBUAHWBOTPA-UHFFFAOYSA-N 2 0 332.448 -0.244 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@H]1C[NH+](C)C ZINC000867678192 584413915 /nfs/dbraw/zinc/41/39/15/584413915.db2.gz RWPHUPGLYNJVQK-IIDMSEBBSA-N 2 0 349.479 -0.054 20 30 EBEDRP C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000874382922 584482249 /nfs/dbraw/zinc/48/22/49/584482249.db2.gz NMFDCQHAPXPDAN-JKSUJKDBSA-N 2 0 348.447 -0.867 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133916547 584616997 /nfs/dbraw/zinc/61/69/97/584616997.db2.gz DCWCOBBMSOAHKC-CHWSQXEVSA-N 2 0 331.486 -0.201 20 30 EBEDRP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262422189 649987464 /nfs/dbraw/zinc/98/74/64/649987464.db2.gz BKORDSJQMCLUOJ-CYBMUJFWSA-N 2 0 331.486 -0.329 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)NCC(C)(C)N1CCOCC1 ZINC000262907896 649988349 /nfs/dbraw/zinc/98/83/49/649988349.db2.gz RKLHCNAJLJLQJY-HNNXBMFYSA-N 2 0 340.516 -0.492 20 30 EBEDRP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CC[NH+](C)CC1 ZINC000303990128 649993948 /nfs/dbraw/zinc/99/39/48/649993948.db2.gz YHRWPQMPYNZMDY-OAHLLOKOSA-N 2 0 326.489 -0.751 20 30 EBEDRP C=C1[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913636128 650241614 /nfs/dbraw/zinc/24/16/14/650241614.db2.gz XUIDBVFBCXEXHO-KBPBESRZSA-N 2 0 330.432 -0.283 20 30 EBEDRP C=C1[C@@H](C(=O)NC23CC[NH+](CC2)C3)[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913636130 650242045 /nfs/dbraw/zinc/24/20/45/650242045.db2.gz XUIDBVFBCXEXHO-ZIAGYGMSSA-N 2 0 330.432 -0.283 20 30 EBEDRP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000929749932 651563740 /nfs/dbraw/zinc/56/37/40/651563740.db2.gz UGDNQMMSPHYYPZ-CQSZACIVSA-N 2 0 332.448 -0.105 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)CC1 ZINC000962783409 723323357 /nfs/dbraw/zinc/32/33/57/723323357.db2.gz WHDVXJVCVGPIQO-FVQHAEBGSA-N 2 0 342.447 -0.330 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000970792615 725329107 /nfs/dbraw/zinc/32/91/07/725329107.db2.gz PVQUUFKZSCANOZ-CVEARBPZSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N(CC(N)=O)CC3)CC1 ZINC000992508184 725805621 /nfs/dbraw/zinc/80/56/21/725805621.db2.gz LLTFRBMKKQRBPO-YJBOKZPZSA-N 2 0 332.448 -0.070 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000993856788 725954682 /nfs/dbraw/zinc/95/46/82/725954682.db2.gz CCPDVGNWQZNWSJ-HNNXBMFYSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000976287568 726254403 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YYWJHMJXRTYEBM-ZVDSWSACSA-N 2 0 332.448 -0.086 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001029003391 730382830 /nfs/dbraw/zinc/38/28/30/730382830.db2.gz MEWWEGXALPZFMM-OAHLLOKOSA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCn3cncn3)C2)CC1 ZINC001032207534 730830238 /nfs/dbraw/zinc/83/02/38/730830238.db2.gz WFERIGVAQXSHNL-UHFFFAOYSA-N 2 0 330.436 -0.329 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)CC1 ZINC001047208479 734110731 /nfs/dbraw/zinc/11/07/31/734110731.db2.gz GOKUSYMFAZMLSA-BPUTZDHNSA-N 2 0 332.448 -0.214 20 30 EBEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463801 734207528 /nfs/dbraw/zinc/20/75/28/734207528.db2.gz SZEQANCQIBAZAN-BFKWJSRZSA-N 2 0 335.448 -0.071 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001047638068 734294932 /nfs/dbraw/zinc/29/49/32/734294932.db2.gz AIOIVIFLSXDUPG-NJAFHUGGSA-N 2 0 349.475 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001049234834 734695132 /nfs/dbraw/zinc/69/51/32/734695132.db2.gz IRBRUFDHLPTJOR-CALCHBBNSA-N 2 0 346.475 -0.190 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049235132 734695233 /nfs/dbraw/zinc/69/52/33/734695233.db2.gz LGQGDGVUVIBILF-BBWFWOEESA-N 2 0 344.459 -0.390 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)CC1 ZINC001052121883 735559175 /nfs/dbraw/zinc/55/91/75/735559175.db2.gz JKJQLLVJRCLFNZ-GOSISDBHSA-N 2 0 348.491 -0.458 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015442 740658936 /nfs/dbraw/zinc/65/89/36/740658936.db2.gz ZCXRMJHMPYZCDC-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076017 740685473 /nfs/dbraw/zinc/68/54/73/740685473.db2.gz GPSGDTVTLCHEND-OAGGEKHMSA-N 2 0 330.436 -0.015 20 30 EBEDRP CN(CC[NH3+])CCNC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC001220517498 811133958 /nfs/dbraw/zinc/13/39/58/811133958.db2.gz OCPPUXPBUOROEI-QGZVFWFLSA-N 2 0 344.463 -0.489 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001256578399 812734959 /nfs/dbraw/zinc/73/49/59/812734959.db2.gz ARDNFBFQVITAFZ-UHFFFAOYSA-N 2 0 335.452 -0.499 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001263863789 813130138 /nfs/dbraw/zinc/13/01/38/813130138.db2.gz DQCZJHCUBIJSBA-SYQHCUMBSA-N 2 0 349.435 -0.848 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001265072858 813236433 /nfs/dbraw/zinc/23/64/33/813236433.db2.gz ICEIULMMGAZYBX-HNNXBMFYSA-N 2 0 348.447 -0.425 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267090212 813756765 /nfs/dbraw/zinc/75/67/65/813756765.db2.gz HREVVMNXIIFRQV-GJZGRUSLSA-N 2 0 332.448 -0.151 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 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FRMOMBWOAREFDT-KRWDZBQOSA-N 2 0 349.435 -0.563 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274374975 816943012 /nfs/dbraw/zinc/94/30/12/816943012.db2.gz GQALSNDNHJVKHG-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090272100 817214001 /nfs/dbraw/zinc/21/40/01/817214001.db2.gz MEOQJTOTDWBXDD-GOEBONIOSA-N 2 0 333.436 -0.367 20 30 EBEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813643 817478185 /nfs/dbraw/zinc/47/81/85/817478185.db2.gz PTMPQSUZPKHNHR-CVEARBPZSA-N 2 0 335.448 -0.063 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2ccnn2C)CC1 ZINC001278201922 817725477 /nfs/dbraw/zinc/72/54/77/817725477.db2.gz MGLAKSDOJKAJQJ-OAHLLOKOSA-N 2 0 333.436 -0.668 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001278350522 817746764 /nfs/dbraw/zinc/74/67/64/817746764.db2.gz XZZOPLPYGUDSOG-QZTJIDSGSA-N 2 0 348.491 -0.051 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278823002 817851387 /nfs/dbraw/zinc/85/13/87/817851387.db2.gz VYLVPQHTNVIWJV-RDJZCZTQSA-N 2 0 325.453 -0.225 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278823000 817852136 /nfs/dbraw/zinc/85/21/36/817852136.db2.gz VYLVPQHTNVIWJV-DOTOQJQBSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1ocnc1C ZINC001279730853 817975990 /nfs/dbraw/zinc/97/59/90/817975990.db2.gz HFICCYWDPGQXTG-HNNXBMFYSA-N 2 0 334.420 -0.009 20 30 EBEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001284517395 819267632 /nfs/dbraw/zinc/26/76/32/819267632.db2.gz UQFCRKXRSSOAMI-OAHLLOKOSA-N 2 0 325.453 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001284527232 819273039 /nfs/dbraw/zinc/27/30/39/819273039.db2.gz MJAUNAKXGHXIIK-INIZCTEOSA-N 2 0 334.464 -0.142 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100319558 820356272 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XHVGVKKWYHLANW-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514486 821134016 /nfs/dbraw/zinc/13/40/16/821134016.db2.gz YSQSSHRZZPLGAV-BZUAXINKSA-N 2 0 346.475 -0.096 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514037 821135042 /nfs/dbraw/zinc/13/50/42/821135042.db2.gz KDQKTFFFLIVLPM-RBSFLKMASA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316755884 821845426 /nfs/dbraw/zinc/84/54/26/821845426.db2.gz PCRDHRLTGKGNHK-CVEARBPZSA-N 2 0 346.475 -0.142 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317064533 821991245 /nfs/dbraw/zinc/99/12/45/821991245.db2.gz FNZSWIOZAZPJAI-ZDUSSCGKSA-N 2 0 339.440 -0.470 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362579 828604905 /nfs/dbraw/zinc/60/49/05/828604905.db2.gz AGWLLSXKWSSNDH-HNNXBMFYSA-N 2 0 338.452 -0.362 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982696 828706941 /nfs/dbraw/zinc/70/69/41/828706941.db2.gz IJLYPOWLSFIIMI-CABCVRRESA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOCCO)[C@@H]2C)CC1 ZINC001180204138 833055349 /nfs/dbraw/zinc/05/53/49/833055349.db2.gz INLQSUWMAHIDNR-RDJZCZTQSA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184434407 833330048 /nfs/dbraw/zinc/33/00/48/833330048.db2.gz XQIKGZLXCTVXKF-DGSCNEQVSA-N 2 0 348.447 -0.658 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131520422 829152654 /nfs/dbraw/zinc/15/26/54/829152654.db2.gz XSIRAUCOWYXCDU-DIODGJHASA-N 2 0 348.447 -0.658 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234571 833393180 /nfs/dbraw/zinc/39/31/80/833393180.db2.gz LNISADPKKPHLOL-OAHLLOKOSA-N 2 0 348.451 -0.449 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616188 833408980 /nfs/dbraw/zinc/40/89/80/833408980.db2.gz PLTRWHMRFUMIBI-CQSZACIVSA-N 2 0 338.452 -0.410 20 30 EBEDRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133245764 829610227 /nfs/dbraw/zinc/61/02/27/829610227.db2.gz KKJLGYSMVTTWJA-HUUCEWRRSA-N 2 0 347.463 -0.204 20 30 EBEDRP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133245762 829610343 /nfs/dbraw/zinc/61/03/43/829610343.db2.gz KKJLGYSMVTTWJA-CABCVRRESA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133338585 829624023 /nfs/dbraw/zinc/62/40/23/829624023.db2.gz WNXHIGMJSJYYND-ZBFHGGJFSA-N 2 0 334.464 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133338582 829624139 /nfs/dbraw/zinc/62/41/39/829624139.db2.gz WNXHIGMJSJYYND-GDBMZVCRSA-N 2 0 334.464 -0.109 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684412 829660962 /nfs/dbraw/zinc/66/09/62/829660962.db2.gz IBYPJYBUXNTJMD-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118400 829900145 /nfs/dbraw/zinc/90/01/45/829900145.db2.gz LNZCUDBBVMCSSL-CYBMUJFWSA-N 2 0 336.440 -0.545 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135922866 830046976 /nfs/dbraw/zinc/04/69/76/830046976.db2.gz CHTBHEXYBCZJBH-KGLIPLIRSA-N 2 0 326.441 -0.813 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724230 830401415 /nfs/dbraw/zinc/40/14/15/830401415.db2.gz ICJBCLIYDTVBHG-GOEBONIOSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748425 830537091 /nfs/dbraw/zinc/53/70/91/830537091.db2.gz SCOPMQCTRAFPAE-CABCVRRESA-N 2 0 332.448 -0.390 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152149565 831135576 /nfs/dbraw/zinc/13/55/76/831135576.db2.gz YQOSGYNNUAYPQR-STQMWFEESA-N 2 0 339.440 -0.423 20 30 EBEDRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001166979454 832305971 /nfs/dbraw/zinc/30/59/71/832305971.db2.gz WGHFKBXOSWISBS-UHFFFAOYSA-N 2 0 335.452 -0.156 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001354470772 832490707 /nfs/dbraw/zinc/49/07/07/832490707.db2.gz IGPBDYGHAILZTL-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170233436 832493645 /nfs/dbraw/zinc/49/36/45/832493645.db2.gz OHHKPPLFGXTMIT-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161804 832660276 /nfs/dbraw/zinc/66/02/76/832660276.db2.gz RSIPXHQRSQYPQA-LSDHHAIUSA-N 2 0 340.468 -0.259 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001176926407 832711226 /nfs/dbraw/zinc/71/12/26/832711226.db2.gz LBIZYFPONMDOLG-HNNXBMFYSA-N 2 0 332.448 -0.435 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715726 832903430 /nfs/dbraw/zinc/90/34/30/832903430.db2.gz GUFDNUKAWKNDJQ-BPUTZDHNSA-N 2 0 332.448 -0.343 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]C[C@H](C)O)C2)CC1 ZINC001202140625 836260683 /nfs/dbraw/zinc/26/06/83/836260683.db2.gz CERUWKWSVWGFFN-RDJZCZTQSA-N 2 0 337.464 -0.081 20 30 EBEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206281349 836635168 /nfs/dbraw/zinc/63/51/68/836635168.db2.gz JPNSLJVRGIKXTB-DZGCQCFKSA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281117 836635728 /nfs/dbraw/zinc/63/57/28/836635728.db2.gz BHXXLYOHNZIFBR-GOEBONIOSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001209241235 837142176 /nfs/dbraw/zinc/14/21/76/837142176.db2.gz ALUNSUHUAXMYEK-SOUVJXGZSA-N 2 0 335.452 -0.063 20 30 EBEDRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210690685 837320280 /nfs/dbraw/zinc/32/02/80/837320280.db2.gz NFZLTKQQMNRNAC-ZDUSSCGKSA-N 2 0 344.419 -0.018 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H](O)COC)CC1 ZINC001324286412 839623509 /nfs/dbraw/zinc/62/35/09/839623509.db2.gz QFRKGGQEHDZDSH-DLBZAZTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001325038570 839758682 /nfs/dbraw/zinc/75/86/82/839758682.db2.gz YICAMYGVKSXXAF-UHFFFAOYSA-N 2 0 338.452 -0.361 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001327593344 840468069 /nfs/dbraw/zinc/46/80/69/840468069.db2.gz WHRDXMYEJHKVCR-INIZCTEOSA-N 2 0 326.441 -0.817 20 30 EBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001327593683 840468502 /nfs/dbraw/zinc/46/85/02/840468502.db2.gz YZYNLWQIRCKUPR-FUHWJXTLSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001329203008 840872481 /nfs/dbraw/zinc/87/24/81/840872481.db2.gz PVLNJXSCZXUMQM-UONOGXRCSA-N 2 0 333.436 -0.546 20 30 EBEDRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001329257147 840883733 /nfs/dbraw/zinc/88/37/33/840883733.db2.gz XPIVLPVETLFRFH-NFOMZHRRSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCOCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330054682 841103634 /nfs/dbraw/zinc/10/36/34/841103634.db2.gz FSIKQHJVLXZXCP-HUUCEWRRSA-N 2 0 340.468 -0.497 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331280972 841385350 /nfs/dbraw/zinc/38/53/50/841385350.db2.gz JRALVQBPZKIWEL-IRXDYDNUSA-N 2 0 346.475 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028025 841553358 /nfs/dbraw/zinc/55/33/58/841553358.db2.gz NMDPWVQIXHPJDZ-STQMWFEESA-N 2 0 339.440 -0.471 20 30 EBEDRP C[N@@H+](CC(=O)NCC#N)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001692030143 1125843864 /nfs/dbraw/zinc/84/38/64/1125843864.db2.gz CWDUGMSVIQCFKX-UHFFFAOYSA-N 2 0 335.452 -0.108 20 30 EBEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001481124329 1125927451 /nfs/dbraw/zinc/92/74/51/1125927451.db2.gz OTKAGOURNKBALX-CABCVRRESA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001481882882 1126064038 /nfs/dbraw/zinc/06/40/38/1126064038.db2.gz UWTNQGQYOFHPLF-MRXNPFEDSA-N 2 0 332.448 -0.435 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691588976 1126322904 /nfs/dbraw/zinc/32/29/04/1126322904.db2.gz FITDFMCSDBNXHY-IMJJTQAJSA-N 2 0 347.463 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC(=O)NC)C2)CC1 ZINC001484356273 1126565153 /nfs/dbraw/zinc/56/51/53/1126565153.db2.gz BQCJWXZLGBMGBV-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001484423252 1126573691 /nfs/dbraw/zinc/57/36/91/1126573691.db2.gz GYSHAXCCMHPSKD-UHFFFAOYSA-N 2 0 336.480 -0.098 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001484409263 1126570194 /nfs/dbraw/zinc/57/01/94/1126570194.db2.gz MJBWSLBLWNFXGG-GASCZTMLSA-N 2 0 332.448 -0.390 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484963768 1126657093 /nfs/dbraw/zinc/65/70/93/1126657093.db2.gz UUXAKIFBZNXYBS-MRXNPFEDSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485648815 1126776618 /nfs/dbraw/zinc/77/66/18/1126776618.db2.gz CESZEXBCQBPDFO-LSDHHAIUSA-N 2 0 338.452 -0.719 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485643914 1126786567 /nfs/dbraw/zinc/78/65/67/1126786567.db2.gz MRIIBZZKMFLLCI-HUUCEWRRSA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)CC1 ZINC001486065139 1127015092 /nfs/dbraw/zinc/01/50/92/1127015092.db2.gz CUKUFQJNYGZRHO-MRXNPFEDSA-N 2 0 333.436 -0.705 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOCCO)C[C@@H]2C)CC1 ZINC001486133624 1127045075 /nfs/dbraw/zinc/04/50/75/1127045075.db2.gz FHWBUAAZHIXZSQ-RDJZCZTQSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092300512 1128222616 /nfs/dbraw/zinc/22/26/16/1128222616.db2.gz YPRSMOYOCUAAPX-GMBSWORKSA-N 2 0 346.475 -0.014 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOCCO)CC1 ZINC001488698217 1128828233 /nfs/dbraw/zinc/82/82/33/1128828233.db2.gz IKMYLTSDGJLFOV-KRWDZBQOSA-N 2 0 337.464 -0.127 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001491081278 1130313118 /nfs/dbraw/zinc/31/31/18/1130313118.db2.gz YRUOLGPMNJMCAT-KFWWJZLASA-N 2 0 338.452 -0.506 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(c2ncccn2)CC1 ZINC000088686542 377008658 /nfs/dbraw/zinc/00/86/58/377008658.db2.gz KTAMECUTRPGPMJ-HNNXBMFYSA-N 2 0 346.483 -0.580 20 30 EBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261658046 379221326 /nfs/dbraw/zinc/22/13/26/379221326.db2.gz FQVDPXQRNNVJRG-ZDUSSCGKSA-N 2 0 333.440 -0.404 20 30 EBEDRP [NH2+]=C(NCCN1CCCOCC1)N1CCN(c2ncccn2)CC1 ZINC000262763302 379239024 /nfs/dbraw/zinc/23/90/24/379239024.db2.gz GRMYYIUNTIZHTB-UHFFFAOYSA-N 2 0 333.440 -0.364 20 30 EBEDRP C[C@H](C[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000419993250 379347576 /nfs/dbraw/zinc/34/75/76/379347576.db2.gz DTOPFOXJLKLWCD-CYBMUJFWSA-N 2 0 331.420 -0.088 20 30 EBEDRP C=CC[C@]1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC[NH2+]1 ZINC000638485621 380483864 /nfs/dbraw/zinc/48/38/64/380483864.db2.gz KTPCBMGDKGRIHR-QGZVFWFLSA-N 2 0 335.452 -0.146 20 30 EBEDRP C[C@H]1CC[NH+](CC(=O)NCC#CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000654991817 420846876 /nfs/dbraw/zinc/84/68/76/420846876.db2.gz JTYCPLGQCFBNHA-HOTGVXAUSA-N 2 0 334.464 -0.094 20 30 EBEDRP CO[C@@]1(CO)CCCN(CC#CC[N@@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661390994 421066982 /nfs/dbraw/zinc/06/69/82/421066982.db2.gz DKOGWJAAAXPNAZ-ROUUACIJSA-N 2 0 340.464 -0.064 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000849055694 584165447 /nfs/dbraw/zinc/16/54/47/584165447.db2.gz YWPDBSWYLPEKMG-UHFFFAOYSA-N 2 0 340.516 -0.490 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000849112942 584166046 /nfs/dbraw/zinc/16/60/46/584166046.db2.gz FVTVQMBGXNYJHO-OAHLLOKOSA-N 2 0 327.473 -0.670 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000852869174 584218316 /nfs/dbraw/zinc/21/83/16/584218316.db2.gz YDPWBDOQAMXUGT-QGZVFWFLSA-N 2 0 334.464 -0.488 20 30 EBEDRP C=C(CNC(=S)NCC[NH+](C)C)CNC(=S)NCC[NH+](C)C ZINC000853047965 584222534 /nfs/dbraw/zinc/22/25/34/584222534.db2.gz FZUZXPMWDKKGIX-UHFFFAOYSA-N 2 0 346.570 -0.406 20 30 EBEDRP C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867676570 584413925 /nfs/dbraw/zinc/41/39/25/584413925.db2.gz RGCUXIDTSBPIEL-RRFJBIMHSA-N 2 0 337.468 -0.198 20 30 EBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302756 584461589 /nfs/dbraw/zinc/46/15/89/584461589.db2.gz LGPMIAPIOMLHFS-KKOKHZNYSA-N 2 0 328.800 -0.150 20 30 EBEDRP C#CCN1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)C1 ZINC000890362625 584694267 /nfs/dbraw/zinc/69/42/67/584694267.db2.gz FUWUARDAMLODQJ-GJZGRUSLSA-N 2 0 336.436 -0.170 20 30 EBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCc2nc(COC)nn2C1 ZINC000261988171 649986183 /nfs/dbraw/zinc/98/61/83/649986183.db2.gz QQSSXIDFBBBAII-STQMWFEESA-N 2 0 335.456 -0.144 20 30 EBEDRP C=C1[C@H](C(=O)N(C)CC2C[NH+](C)C2)[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000912453422 650205900 /nfs/dbraw/zinc/20/59/00/650205900.db2.gz HKJJTDQFWLJFTG-HOTGVXAUSA-N 2 0 334.464 -0.171 20 30 EBEDRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1C#N ZINC000912534970 650207124 /nfs/dbraw/zinc/20/71/24/650207124.db2.gz ILQSTVZGQALRLP-RRFJBIMHSA-N 2 0 333.436 -0.262 20 30 EBEDRP O=C(NCC#CCO)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000923781498 650355455 /nfs/dbraw/zinc/35/54/55/650355455.db2.gz ALQPHYNXKFZTSW-UHFFFAOYSA-N 2 0 331.420 -0.111 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077196 722301630 /nfs/dbraw/zinc/30/16/30/722301630.db2.gz RHYLRLXITVDJHO-ZBFHGGJFSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000970792714 725328932 /nfs/dbraw/zinc/32/89/32/725328932.db2.gz SIEMCQATJHUZJS-HZPDHXFCSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nnnn3C)CC2)CC1 ZINC000997364439 726448233 /nfs/dbraw/zinc/44/82/33/726448233.db2.gz MXBWGTXLLZEXOY-UHFFFAOYSA-N 2 0 345.451 -0.364 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001023128693 729614716 /nfs/dbraw/zinc/61/47/16/729614716.db2.gz OXYDLZMXLXCXQY-OWCLPIDISA-N 2 0 332.448 -0.153 20 30 EBEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001026145746 730125079 /nfs/dbraw/zinc/12/50/79/730125079.db2.gz CIDWOHBXMYRKTE-OWYFMNJBSA-N 2 0 332.448 -0.229 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001032800276 730934359 /nfs/dbraw/zinc/93/43/59/730934359.db2.gz FECVWNQXGCCQPW-YESZJQIVSA-N 2 0 344.459 -0.105 20 30 EBEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463711 734207890 /nfs/dbraw/zinc/20/78/90/734207890.db2.gz OIQNLPZBTNHBDN-BFKWJSRZSA-N 2 0 335.448 -0.071 20 30 EBEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055631285 736416297 /nfs/dbraw/zinc/41/62/97/736416297.db2.gz FJNJHPNHKKJWHC-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)[C@@H]2C)CC1 ZINC001075128594 742186189 /nfs/dbraw/zinc/18/61/89/742186189.db2.gz KDYPNVOUENXKKR-CWRNSKLLSA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000979085048 805126818 /nfs/dbraw/zinc/12/68/18/805126818.db2.gz FAMLPQURDGLJTL-DZUCGIPZSA-N 2 0 346.475 -0.240 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000990514650 808819983 /nfs/dbraw/zinc/81/99/83/808819983.db2.gz QZQVRQQQLPHMOD-MRXNPFEDSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214754892 810275173 /nfs/dbraw/zinc/27/51/73/810275173.db2.gz KQIBMCIUTRYRQG-RBSFLKMASA-N 2 0 340.443 -0.148 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215224147 810316390 /nfs/dbraw/zinc/31/63/90/810316390.db2.gz KWGMKNPMVNPJKS-FRFSOERESA-N 2 0 347.463 -0.063 20 30 EBEDRP N#Cc1ccc([C@H](C(=O)NCCC2(O)C[NH2+]C2)N2CC[NH2+]CC2)cc1 ZINC001219696974 810799873 /nfs/dbraw/zinc/79/98/73/810799873.db2.gz ODYCBVXEAXAOLG-MRXNPFEDSA-N 2 0 343.431 -0.655 20 30 EBEDRP COC(=O)c1ccc(C(=[NH2+])NC(O)=C2COC3(C[NH2+]C3)CN2)cc1 ZINC001220577518 811162941 /nfs/dbraw/zinc/16/29/41/811162941.db2.gz VPWLMSIFJBABPP-GFCCVEGCSA-N 2 0 332.360 -0.965 20 30 EBEDRP NC(=O)c1ccc(C(=[NH2+])NC(O)=C2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001220643714 811186233 /nfs/dbraw/zinc/18/62/33/811186233.db2.gz PRBAIUIKEOOBNF-CYBMUJFWSA-N 2 0 329.404 -0.108 20 30 EBEDRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)C[NH2+]C1 ZINC001220851420 811266066 /nfs/dbraw/zinc/26/60/66/811266066.db2.gz VSXZYIXTJKYUPF-CABCVRRESA-N 2 0 342.399 -0.117 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2C[NH3+])C1 ZINC001220855205 811268077 /nfs/dbraw/zinc/26/80/77/811268077.db2.gz QAVRUDQJEPNZCH-OLZOCXBDSA-N 2 0 327.406 -0.532 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@@H]2O)CC1 ZINC001221079270 811367737 /nfs/dbraw/zinc/36/77/37/811367737.db2.gz QYLPYJDLFJKALJ-SJORKVTESA-N 2 0 337.464 -0.082 20 30 EBEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245998018 812558684 /nfs/dbraw/zinc/55/86/84/812558684.db2.gz CVSOORWEZZRJRX-CABCVRRESA-N 2 0 343.468 -0.332 20 30 EBEDRP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001251840622 812635098 /nfs/dbraw/zinc/63/50/98/812635098.db2.gz RGIWRCVVXWLFIE-IXDOHACOSA-N 2 0 326.437 -0.334 20 30 EBEDRP C#CCOC[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001251840746 812635460 /nfs/dbraw/zinc/63/54/60/812635460.db2.gz UOEKSRABGPNNPO-QGZVFWFLSA-N 2 0 347.459 -0.179 20 30 EBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263851667 813129043 /nfs/dbraw/zinc/12/90/43/813129043.db2.gz RXVALMCNRRFFBZ-TUVASFSCSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001264080927 813149507 /nfs/dbraw/zinc/14/95/07/813149507.db2.gz ZVFJXAZLCVTXGV-KRWDZBQOSA-N 2 0 347.463 -0.023 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264408520 813172213 /nfs/dbraw/zinc/17/22/13/813172213.db2.gz KRPJUOAGYLTCGJ-XUWVNRHRSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264566697 813181425 /nfs/dbraw/zinc/18/14/25/813181425.db2.gz DYSRBPQHYCBTFW-OAGGEKHMSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264566607 813181719 /nfs/dbraw/zinc/18/17/19/813181719.db2.gz AIVXQMUDVXOSCC-ILXRZTDVSA-N 2 0 335.452 -0.205 20 30 EBEDRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001265501877 813332875 /nfs/dbraw/zinc/33/28/75/813332875.db2.gz UHZHVHLBJDPHFC-SHTZXODSSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001266567367 813610465 /nfs/dbraw/zinc/61/04/65/813610465.db2.gz AMDZHZQFPAFGHL-INIZCTEOSA-N 2 0 332.448 -0.199 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626401 813626891 /nfs/dbraw/zinc/62/68/91/813626891.db2.gz IISOWOQINUKUGE-TUVASFSCSA-N 2 0 333.436 -0.120 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266901119 813695901 /nfs/dbraw/zinc/69/59/01/813695901.db2.gz RPRQJDBDXAMVJR-SOKJMZBUSA-N 2 0 344.459 -0.488 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267070844 813752809 /nfs/dbraw/zinc/75/28/09/813752809.db2.gz QFDMTTVGNMQBFF-HNNXBMFYSA-N 2 0 335.452 -0.060 20 30 EBEDRP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267589280 813944070 /nfs/dbraw/zinc/94/40/70/813944070.db2.gz IMVHLFHOFBVRGY-JKSUJKDBSA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@@H]2O)CC1 ZINC001084090244 815826611 /nfs/dbraw/zinc/82/66/11/815826611.db2.gz QSDDMKKHLORASA-BBWFWOEESA-N 2 0 337.464 -0.082 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001271880310 816243105 /nfs/dbraw/zinc/24/31/05/816243105.db2.gz LCDQLQWJNHNCLV-MCIONIFRSA-N 2 0 329.404 -0.520 20 30 EBEDRP C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271983128 816281802 /nfs/dbraw/zinc/28/18/02/816281802.db2.gz PWIGWEIIRKFJDE-WMLDXEAASA-N 2 0 340.468 -0.428 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001086558303 816379133 /nfs/dbraw/zinc/37/91/33/816379133.db2.gz AEVSMOJVYHEZRK-BPUTZDHNSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001272537668 816465379 /nfs/dbraw/zinc/46/53/79/816465379.db2.gz VNGWOQUPCMSIHW-LSDHHAIUSA-N 2 0 338.452 -0.933 20 30 EBEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001273322632 816643947 /nfs/dbraw/zinc/64/39/47/816643947.db2.gz HUSVIFBWLBGALB-INIZCTEOSA-N 2 0 333.436 -0.101 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001273343134 816648631 /nfs/dbraw/zinc/64/86/31/816648631.db2.gz URTIQWAQBOQUBL-GJZGRUSLSA-N 2 0 338.452 -0.553 20 30 EBEDRP C=CCN1C(=O)C[C@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273835862 816779645 /nfs/dbraw/zinc/77/96/45/816779645.db2.gz KXNFWWOPRYFLPD-SFHVURJKSA-N 2 0 348.447 -0.213 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001274550695 816999626 /nfs/dbraw/zinc/99/96/26/816999626.db2.gz YHKRZBQNEKNMHM-UHFFFAOYSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001275458420 817222016 /nfs/dbraw/zinc/22/20/16/817222016.db2.gz ASGRZQCMAZJCEQ-LSDHHAIUSA-N 2 0 332.448 -0.436 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC001276839574 817481560 /nfs/dbraw/zinc/48/15/60/817481560.db2.gz KLWBMFUHMIVUAT-XHSDSOJGSA-N 2 0 343.431 -0.151 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001276983002 817505803 /nfs/dbraw/zinc/50/58/03/817505803.db2.gz AXACQWVHCBAFJB-MUIFIZLQSA-N 2 0 346.475 -0.050 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC001277094512 817520002 /nfs/dbraw/zinc/52/00/02/817520002.db2.gz XQMFGGCAUJMKGY-KGLIPLIRSA-N 2 0 343.431 -0.178 20 30 EBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001278787835 817831395 /nfs/dbraw/zinc/83/13/95/817831395.db2.gz WLTZGPCBNDQXSA-SFHVURJKSA-N 2 0 337.464 -0.079 20 30 EBEDRP COCC#CC[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001279792127 817985685 /nfs/dbraw/zinc/98/56/85/817985685.db2.gz PILAWTNOSDGHFS-UHFFFAOYSA-N 2 0 325.453 -0.079 20 30 EBEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001281282341 818133916 /nfs/dbraw/zinc/13/39/16/818133916.db2.gz AJJSHHLDHWUECY-AWEZNQCLSA-N 2 0 338.452 -0.505 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001282083966 818359476 /nfs/dbraw/zinc/35/94/76/818359476.db2.gz KYKMNVRCAOOBBY-UHFFFAOYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321664 819184244 /nfs/dbraw/zinc/18/42/44/819184244.db2.gz CDYSJISQTOAXBV-GJZGRUSLSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284459694 819246037 /nfs/dbraw/zinc/24/60/37/819246037.db2.gz INFVAFHJTKHMFH-MRXNPFEDSA-N 2 0 325.453 -0.223 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100383064 820391104 /nfs/dbraw/zinc/39/11/04/820391104.db2.gz JJPOWYCTODUJBL-YMAMQOFZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100418855 820414347 /nfs/dbraw/zinc/41/43/47/820414347.db2.gz JRUWWJVPEQUTBZ-YMAMQOFZSA-N 2 0 335.452 -0.015 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001100438018 820421128 /nfs/dbraw/zinc/42/11/28/820421128.db2.gz LGKJQMZHIMDZJZ-UHFFFAOYSA-N 2 0 347.463 -0.013 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534817 820460029 /nfs/dbraw/zinc/46/00/29/820460029.db2.gz DOSVNHWYBWLJGK-PGEKIEPBSA-N 2 0 347.463 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCOCCO)C2)CC1 ZINC001101024864 820653514 /nfs/dbraw/zinc/65/35/14/820653514.db2.gz JOMNENSEXBTQFV-UHFFFAOYSA-N 2 0 337.464 -0.175 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]C[C@H](O)COC)C2)CC1 ZINC001101025000 820653982 /nfs/dbraw/zinc/65/39/82/820653982.db2.gz QDKPFHBRFWDHLW-PREGVCBESA-N 2 0 337.464 -0.177 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101026323 820655251 /nfs/dbraw/zinc/65/52/51/820655251.db2.gz CMFGHQPRVKYARK-UHFFFAOYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718679 821345131 /nfs/dbraw/zinc/34/51/31/821345131.db2.gz ASEWPOZTGFNWFO-KFWWJZLASA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@@H](O)COC)CC1 ZINC001316609678 821813988 /nfs/dbraw/zinc/81/39/88/821813988.db2.gz FHSRQZHDDYAAKI-DLBZAZTESA-N 2 0 337.464 -0.128 20 30 EBEDRP COCC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001316745667 821843072 /nfs/dbraw/zinc/84/30/72/821843072.db2.gz IOECSCVWAUEHRQ-INIZCTEOSA-N 2 0 325.453 -0.127 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001317670508 822199591 /nfs/dbraw/zinc/19/95/91/822199591.db2.gz UEALZSGEUCSCCZ-HNNXBMFYSA-N 2 0 332.448 -0.483 20 30 EBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228150 828583439 /nfs/dbraw/zinc/58/34/39/828583439.db2.gz FVMHBKHAHGFKHE-CABCVRRESA-N 2 0 336.440 -0.226 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437029 828618679 /nfs/dbraw/zinc/61/86/79/828618679.db2.gz UWYCDLKCZPHCTG-CYBMUJFWSA-N 2 0 325.413 -0.956 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799042 824438907 /nfs/dbraw/zinc/43/89/07/824438907.db2.gz KONUKFOVJXBXST-XHSDSOJGSA-N 2 0 344.459 -0.199 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799100 824439234 /nfs/dbraw/zinc/43/92/34/824439234.db2.gz LZYGPOYGCHNBLN-KKUMJFAQSA-N 2 0 345.447 -0.309 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985045 828707861 /nfs/dbraw/zinc/70/78/61/828707861.db2.gz NBXFEGYQTMNNMA-CVEARBPZSA-N 2 0 348.451 -0.389 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200925 828753871 /nfs/dbraw/zinc/75/38/71/828753871.db2.gz QBUGMCXIJHWPOQ-VXGBXAGGSA-N 2 0 327.429 -0.567 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130232022 828761638 /nfs/dbraw/zinc/76/16/38/828761638.db2.gz OMNSDYCCTIFNQC-CQSZACIVSA-N 2 0 338.452 -0.812 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@@H]3CCC[N@H+]3C)[n-]2)O1 ZINC001130772683 828934864 /nfs/dbraw/zinc/93/48/64/828934864.db2.gz XOUPSWFWCRWJBI-MELADBBJSA-N 2 0 346.435 -0.042 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401584 833357883 /nfs/dbraw/zinc/35/78/83/833357883.db2.gz TWNXFOPSLJPRMC-CHWSQXEVSA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)[C@@H](C)C2)CC1 ZINC001185743385 833368925 /nfs/dbraw/zinc/36/89/25/833368925.db2.gz ZAVWKCDNAPCXHP-HOCLYGCPSA-N 2 0 334.464 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)CC1 ZINC001185743387 833369022 /nfs/dbraw/zinc/36/90/22/833369022.db2.gz ZAVWKCDNAPCXHP-ZBFHGGJFSA-N 2 0 334.464 -0.109 20 30 EBEDRP C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133245765 829610714 /nfs/dbraw/zinc/61/07/14/829610714.db2.gz KKJLGYSMVTTWJA-LSDHHAIUSA-N 2 0 347.463 -0.204 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286086 829616088 /nfs/dbraw/zinc/61/60/88/829616088.db2.gz WLOODRSEUAQPPC-UHFFFAOYSA-N 2 0 325.413 -0.954 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186825062 833431502 /nfs/dbraw/zinc/43/15/02/833431502.db2.gz XMQKYHDEYOQNHK-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133917735 829699095 /nfs/dbraw/zinc/69/90/95/829699095.db2.gz DZSPAPJTCBCFIY-UHFFFAOYSA-N 2 0 330.432 -0.384 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146581539 830208790 /nfs/dbraw/zinc/20/87/90/830208790.db2.gz CRVJHLIDVPVLHT-HZPDHXFCSA-N 2 0 346.475 -0.046 20 30 EBEDRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001147411032 830338328 /nfs/dbraw/zinc/33/83/28/830338328.db2.gz YLMJYDCQSMVULX-KRWDZBQOSA-N 2 0 331.420 -0.191 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152149564 831134877 /nfs/dbraw/zinc/13/48/77/831134877.db2.gz YQOSGYNNUAYPQR-CHWSQXEVSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001152330521 831152806 /nfs/dbraw/zinc/15/28/06/831152806.db2.gz QLWFLGHRVHEMPL-HNNXBMFYSA-N 2 0 330.436 -0.184 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCS(C)(=O)=O)CC1 ZINC001152330277 831153040 /nfs/dbraw/zinc/15/30/40/831153040.db2.gz KUXLLIXYWOKNDF-UHFFFAOYSA-N 2 0 329.466 -0.528 20 30 EBEDRP C#CC[C@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC001158277543 831642830 /nfs/dbraw/zinc/64/28/30/831642830.db2.gz PTPUSZHKJUUNLY-QGZVFWFLSA-N 2 0 328.420 -0.156 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287780 831644130 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335.452 -0.300 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531406 832466808 /nfs/dbraw/zinc/46/68/08/832466808.db2.gz QCYGFFBBVFOHPQ-CQSZACIVSA-N 2 0 340.468 -0.116 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725249 832574275 /nfs/dbraw/zinc/57/42/75/832574275.db2.gz KBSRGCIXFCOQAH-UHFFFAOYSA-N 2 0 341.456 -0.174 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NCC2CC2)CC1 ZINC001176926093 832711413 /nfs/dbraw/zinc/71/14/13/832711413.db2.gz GKYTXCVQGQURDP-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187291425 833915859 /nfs/dbraw/zinc/91/58/59/833915859.db2.gz SADASUYYFAHKJW-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488509 834889377 /nfs/dbraw/zinc/88/93/77/834889377.db2.gz OFIDZXJVDKFDJS-HUUCEWRRSA-N 2 0 338.452 -0.765 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200115518 835910749 /nfs/dbraw/zinc/91/07/49/835910749.db2.gz NAPJNEKIRRPVDV-LSDHHAIUSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCCO1 ZINC001200529068 835980635 /nfs/dbraw/zinc/98/06/35/835980635.db2.gz QMWLPGKBTWNAOH-OAHLLOKOSA-N 2 0 333.436 -0.101 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658075 836011019 /nfs/dbraw/zinc/01/10/19/836011019.db2.gz GZQLYFQLVVLGNT-GJZGRUSLSA-N 2 0 349.435 -0.930 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200795603 836035072 /nfs/dbraw/zinc/03/50/72/836035072.db2.gz LRHJDMSFQOQGJM-HUUCEWRRSA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201930186 836216161 /nfs/dbraw/zinc/21/61/61/836216161.db2.gz BLCRDERBZYQHNB-OAHLLOKOSA-N 2 0 338.452 -0.715 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059896 836244790 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340.443 -0.004 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001322843845 839284324 /nfs/dbraw/zinc/28/43/24/839284324.db2.gz KSURTENPAZPUIU-UHFFFAOYSA-N 2 0 348.451 -0.608 20 30 EBEDRP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001326352074 840090655 /nfs/dbraw/zinc/09/06/55/840090655.db2.gz LHVNMVRMDIXIME-CQSZACIVSA-N 2 0 335.452 -0.204 20 30 EBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326980971 840259114 /nfs/dbraw/zinc/25/91/14/840259114.db2.gz ZPWUGIOERHITHO-IRXDYDNUSA-N 2 0 335.448 -0.205 20 30 EBEDRP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001326990104 840261416 /nfs/dbraw/zinc/26/14/16/840261416.db2.gz MEABTMJVMFWOEY-HIFRSBDPSA-N 2 0 339.440 -0.971 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330512555 841225069 /nfs/dbraw/zinc/22/50/69/841225069.db2.gz WOIGZISLWHNSNZ-HNNXBMFYSA-N 2 0 347.463 -0.108 20 30 EBEDRP OC[C@H]([NH2+]CC#CC[NH2+][C@H](CO)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC001331379195 841400046 /nfs/dbraw/zinc/40/00/46/841400046.db2.gz GVQCJESSCCRSMS-XLAORIBOSA-N 2 0 340.464 -0.256 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2cccnc2)CC1 ZINC001331843458 841519046 /nfs/dbraw/zinc/51/90/46/841519046.db2.gz VOMGWURFMKTHNM-QGZVFWFLSA-N 2 0 330.432 -0.007 20 30 EBEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001332606999 841687749 /nfs/dbraw/zinc/68/77/49/841687749.db2.gz QOSXCUMODOUSEU-HOTGVXAUSA-N 2 0 341.452 -0.987 20 30 EBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001332607003 841688111 /nfs/dbraw/zinc/68/81/11/841688111.db2.gz QOSXCUMODOUSEU-JKSUJKDBSA-N 2 0 341.452 -0.987 20 30 EBEDRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2)CC1 ZINC001342134925 843142400 /nfs/dbraw/zinc/14/24/00/843142400.db2.gz KICVVNZQQZZUDN-HIFRSBDPSA-N 2 0 349.435 -0.978 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2nccn2C)CC1 ZINC001482798941 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MRIIBZZKMFLLCI-LSDHHAIUSA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001485684913 1126798571 /nfs/dbraw/zinc/79/85/71/1126798571.db2.gz NPDHIEOYSLSSHV-BPUTZDHNSA-N 2 0 332.448 -0.438 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C2)CC[NH+](CC(=O)NCC#N)CC3)C1 ZINC001671059684 1127287784 /nfs/dbraw/zinc/28/77/84/1127287784.db2.gz OOWCBXPJEXWANJ-OAHLLOKOSA-N 2 0 347.463 -0.108 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093224339 1128308780 /nfs/dbraw/zinc/30/87/80/1128308780.db2.gz QYACIEMZSOLQBR-DJIMGWMZSA-N 2 0 346.475 -0.096 20 30 EBEDRP COCC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001489174160 1128917942 /nfs/dbraw/zinc/91/79/42/1128917942.db2.gz NZQUZKXIYBOQTR-IRXDYDNUSA-N 2 0 337.464 -0.127 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001490922647 1130268287 /nfs/dbraw/zinc/26/82/87/1130268287.db2.gz JPMJLOZUZWXLOJ-RBSFLKMASA-N 2 0 335.452 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CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000844195016 584091104 /nfs/dbraw/zinc/09/11/04/584091104.db2.gz PATUMPGERDBJBJ-TUVASFSCSA-N 2 0 333.436 -0.453 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000852869173 584218227 /nfs/dbraw/zinc/21/82/27/584218227.db2.gz YDPWBDOQAMXUGT-KRWDZBQOSA-N 2 0 334.464 -0.488 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872304186 584461566 /nfs/dbraw/zinc/46/15/66/584461566.db2.gz KBONCFUFVRFNKT-KFWWJZLASA-N 2 0 332.404 -0.617 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](C[C@@H](C)O)C3)CC2)CC1 ZINC000941677860 652876578 /nfs/dbraw/zinc/87/65/78/652876578.db2.gz XDAVYYGPJKUGMV-MRXNPFEDSA-N 2 0 348.491 -0.459 20 30 EBEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468178 722371423 /nfs/dbraw/zinc/37/14/23/722371423.db2.gz SULREFSRZQKARW-GOEBONIOSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000991715931 725568313 /nfs/dbraw/zinc/56/83/13/725568313.db2.gz BJGSIXRFZBQTIL-HNNXBMFYSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC000993855351 725954217 /nfs/dbraw/zinc/95/42/17/725954217.db2.gz OPFPQYJYSFNHRI-YOEHRIQHSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001051944191 735478279 /nfs/dbraw/zinc/47/82/79/735478279.db2.gz TUORVXMTTGNLSS-CVEARBPZSA-N 2 0 348.447 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnnn3C)C2)CC1 ZINC001019813922 728998457 /nfs/dbraw/zinc/99/84/57/728998457.db2.gz OPGASSWFVPBIKC-HNNXBMFYSA-N 2 0 330.436 -0.149 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001019816126 728998944 /nfs/dbraw/zinc/99/89/44/728998944.db2.gz SIEMCQATJHUZJS-HOTGVXAUSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)CC1 ZINC001021470299 729315520 /nfs/dbraw/zinc/31/55/20/729315520.db2.gz ZGQSJSNQWKFPHX-MQVJKMGUSA-N 2 0 332.448 -0.072 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NC)C2)CC1 ZINC001023761677 729794185 /nfs/dbraw/zinc/79/41/85/729794185.db2.gz GPSJAHPKLAOAAJ-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001046085234 733857349 /nfs/dbraw/zinc/85/73/49/733857349.db2.gz FMXLSBGQOLDDCO-SFHVURJKSA-N 2 0 348.491 -0.458 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929110 740622259 /nfs/dbraw/zinc/62/22/59/740622259.db2.gz VLDJGITVWKXZTD-BBWFWOEESA-N 2 0 342.447 -0.015 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001070198099 740745714 /nfs/dbraw/zinc/74/57/14/740745714.db2.gz MGEVXYOKXGFHCD-JJXSEGSLSA-N 2 0 330.436 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(=O)N(C)C)C[C@H]32)CC1 ZINC000979091364 805130826 /nfs/dbraw/zinc/13/08/26/805130826.db2.gz RIDGZEOEVWODEW-OSYLJGHBSA-N 2 0 346.475 -0.286 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001002473193 809723724 /nfs/dbraw/zinc/72/37/24/809723724.db2.gz JFAJDWWFLZAIEO-QGZVFWFLSA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409865 810372666 /nfs/dbraw/zinc/37/26/66/810372666.db2.gz NGCKXZSBQZJURU-QLFBSQMISA-N 2 0 332.448 -0.343 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001216837887 810394165 /nfs/dbraw/zinc/39/41/65/810394165.db2.gz XBGSKBHZJNZJAN-NVXWUHKLSA-N 2 0 337.464 -0.223 20 30 EBEDRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]C[C@H]1C#N ZINC001218200635 810481880 /nfs/dbraw/zinc/48/18/80/810481880.db2.gz MNWPPYCFEWBOLM-RKDXNWHRSA-N 2 0 335.364 -0.749 20 30 EBEDRP C#Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])ccn1 ZINC001218524659 810498447 /nfs/dbraw/zinc/49/84/47/810498447.db2.gz MAZKMDDWCDEKAD-HOTGVXAUSA-N 2 0 343.431 -0.129 20 30 EBEDRP N#Cc1c(N)nc(=NC2CC2)n(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c1N ZINC001218596685 810508622 /nfs/dbraw/zinc/50/86/22/810508622.db2.gz CJSXRNDOKXMKGE-VIFPVBQESA-N 2 0 332.412 -0.531 20 30 EBEDRP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219162130 810602383 /nfs/dbraw/zinc/60/23/83/810602383.db2.gz VJWONYGZSWPBOX-ZDUSSCGKSA-N 2 0 327.388 -0.026 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223466230 811707784 /nfs/dbraw/zinc/70/77/84/811707784.db2.gz PDXHXVLQCWKNGZ-QGZVFWFLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224261539 811752819 /nfs/dbraw/zinc/75/28/19/811752819.db2.gz VIFIGFMOTKSTKW-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001224546128 811764951 /nfs/dbraw/zinc/76/49/51/811764951.db2.gz INZMJFYKJZYKTN-GOEBONIOSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)CC1 ZINC001228225642 811969648 /nfs/dbraw/zinc/96/96/48/811969648.db2.gz YMKWNSYYQRVGBN-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710145 812050975 /nfs/dbraw/zinc/05/09/75/812050975.db2.gz NATLLORSDCGFSK-HUUCEWRRSA-N 2 0 338.452 -0.669 20 30 EBEDRP C=CCN(CCN(CCC[NH3+])CC(=O)NCCC[NH3+])C(=O)OCC ZINC001236309401 812517150 /nfs/dbraw/zinc/51/71/50/812517150.db2.gz KQRVBZGESOBRSP-UHFFFAOYSA-N 2 0 343.472 -0.253 20 30 EBEDRP C[NH+](C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCC#N ZINC001264032352 813142793 /nfs/dbraw/zinc/14/27/93/813142793.db2.gz KLVDCNYUSNPUMA-JJXSEGSLSA-N 2 0 347.463 -0.253 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001265947702 813423494 /nfs/dbraw/zinc/42/34/94/813423494.db2.gz VPUHWFACMSNCMP-INIZCTEOSA-N 2 0 330.432 -0.729 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266593324 813617367 /nfs/dbraw/zinc/61/73/67/813617367.db2.gz FBMKFWHBQHVUIQ-TUUVXOQKSA-N 2 0 332.448 -0.297 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267024996 813739146 /nfs/dbraw/zinc/73/91/46/813739146.db2.gz CHIGTVGVDUXSLH-ZDUSSCGKSA-N 2 0 337.424 -0.716 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303980 813835655 /nfs/dbraw/zinc/83/56/55/813835655.db2.gz CLQZNXLNDIWADE-MRXNPFEDSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)CC1 ZINC001267309687 813840577 /nfs/dbraw/zinc/84/05/77/813840577.db2.gz NTVXLYXSMYJBFM-INIZCTEOSA-N 2 0 337.464 -0.221 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268315303 814191671 /nfs/dbraw/zinc/19/16/71/814191671.db2.gz AIIVAXJGWZBJMP-UONOGXRCSA-N 2 0 338.452 -0.935 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268315299 814192307 /nfs/dbraw/zinc/19/23/07/814192307.db2.gz AIIVAXJGWZBJMP-KBPBESRZSA-N 2 0 338.452 -0.935 20 30 EBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268661848 814342639 /nfs/dbraw/zinc/34/26/39/814342639.db2.gz MLYWPUZLRJIEPY-WBMJQRKESA-N 2 0 341.431 -0.067 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269148436 814553055 /nfs/dbraw/zinc/55/30/55/814553055.db2.gz CKSXEPQRGZKLNF-GJZGRUSLSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCN(C(=O)Cc1ncc[nH]1)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001270351449 815757217 /nfs/dbraw/zinc/75/72/17/815757217.db2.gz OOFQRYPJHZKGFX-HNNXBMFYSA-N 2 0 334.420 -0.114 20 30 EBEDRP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)CCO1 ZINC001271253914 816053115 /nfs/dbraw/zinc/05/31/15/816053115.db2.gz JJOXBVKEQJFPTR-UONOGXRCSA-N 2 0 339.440 -0.923 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271873649 816242265 /nfs/dbraw/zinc/24/22/65/816242265.db2.gz LBQKJQQARHQRKK-LVQVYYBASA-N 2 0 332.448 -0.391 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2nnnn2C)CC1 ZINC001273205003 816609127 /nfs/dbraw/zinc/60/91/27/816609127.db2.gz QSWWXXDRXGWIRQ-ZDUSSCGKSA-N 2 0 333.440 -0.460 20 30 EBEDRP C#CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274555362 817005028 /nfs/dbraw/zinc/00/50/28/817005028.db2.gz UUDKQBBCUIZDRS-CVEARBPZSA-N 2 0 337.464 -0.223 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)NC(C)C ZINC001274791408 817086879 /nfs/dbraw/zinc/08/68/79/817086879.db2.gz ISWYEDBYTBAOBS-CABCVRRESA-N 2 0 337.468 -0.114 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001276467246 817409238 /nfs/dbraw/zinc/40/92/38/817409238.db2.gz AAHOCWKMVBNCAG-RHSMWYFYSA-N 2 0 337.464 -0.225 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001277892782 817652852 /nfs/dbraw/zinc/65/28/52/817652852.db2.gz WXEOMIBOQZBIHQ-OAHLLOKOSA-N 2 0 332.448 -0.055 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001278025107 817678676 /nfs/dbraw/zinc/67/86/76/817678676.db2.gz KPAXRYWNXSIOGB-JKSUJKDBSA-N 2 0 346.475 -0.094 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278586234 817783228 /nfs/dbraw/zinc/78/32/28/817783228.db2.gz QQGVDZQFTSOLKH-UONOGXRCSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)CC1 ZINC001278733655 817801128 /nfs/dbraw/zinc/80/11/28/817801128.db2.gz KJYRSLJMUVBMHB-UHFFFAOYSA-N 2 0 336.436 -0.928 20 30 EBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001278754993 817810101 /nfs/dbraw/zinc/81/01/01/817810101.db2.gz CPOYLABESQCVDB-CVEARBPZSA-N 2 0 325.453 -0.082 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001279148751 817908767 /nfs/dbraw/zinc/90/87/67/817908767.db2.gz KBKXPVHURLBDEH-HOCLYGCPSA-N 2 0 334.464 -0.238 20 30 EBEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001281193165 818072322 /nfs/dbraw/zinc/07/23/22/818072322.db2.gz RCYLKPWHHLJJND-WMZOPIPTSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+][C@@H]3CCNC3=O)[C@H](C)C2)CC1 ZINC001094240028 818184489 /nfs/dbraw/zinc/18/44/89/818184489.db2.gz NJWMIROCTBMTOC-DJIMGWMZSA-N 2 0 346.475 -0.096 20 30 EBEDRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001282960052 818550614 /nfs/dbraw/zinc/55/06/14/818550614.db2.gz XNDHYIHULZHRTD-QLFBSQMISA-N 2 0 335.452 -0.205 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001284180949 819127210 /nfs/dbraw/zinc/12/72/10/819127210.db2.gz UOTQMBWIIJGVFK-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001284311830 819178491 /nfs/dbraw/zinc/17/84/91/819178491.db2.gz DVLANROQQNBFDS-CQSZACIVSA-N 2 0 334.464 -0.096 20 30 EBEDRP CC(C)(C)[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001284644187 819314873 /nfs/dbraw/zinc/31/48/73/819314873.db2.gz ZVDIIKCESBHZJN-CYBMUJFWSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCC)C[C@@H]2O)CC1 ZINC001100122002 820250885 /nfs/dbraw/zinc/25/08/85/820250885.db2.gz JYKAIBUFKFRWDW-IRXDYDNUSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100618722 820488856 /nfs/dbraw/zinc/48/88/56/820488856.db2.gz VKRLVOCUDDJVQM-WLYUNCDWSA-N 2 0 334.464 -0.050 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870236 820585312 /nfs/dbraw/zinc/58/53/12/820585312.db2.gz CNVREDIPZHQRLV-NFOMZHRRSA-N 2 0 340.468 -0.260 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870238 820585580 /nfs/dbraw/zinc/58/55/80/820585580.db2.gz CNVREDIPZHQRLV-WLYUNCDWSA-N 2 0 340.468 -0.260 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277639 820743386 /nfs/dbraw/zinc/74/33/86/820743386.db2.gz RBBWWYVOEZATFO-RKVPGOIHSA-N 2 0 334.464 -0.144 20 30 EBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001105014086 821570757 /nfs/dbraw/zinc/57/07/57/821570757.db2.gz BWYKUMJLDXERIG-HUUCEWRRSA-N 2 0 335.452 -0.204 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001316615960 821817399 /nfs/dbraw/zinc/81/73/99/821817399.db2.gz JJPOWYCTODUJBL-QLFBSQMISA-N 2 0 335.452 -0.015 20 30 EBEDRP Cc1nc[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001317197024 822032911 /nfs/dbraw/zinc/03/29/11/822032911.db2.gz KZNDUZAGVUYIHN-ZDUSSCGKSA-N 2 0 332.408 -0.129 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106881754 822347685 /nfs/dbraw/zinc/34/76/85/822347685.db2.gz JEEKYZIVNRCESE-ZIAGYGMSSA-N 2 0 333.436 -0.594 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533202 828471006 /nfs/dbraw/zinc/47/10/06/828471006.db2.gz JAFKIQNUXYDALX-LBPRGKRZSA-N 2 0 345.419 -0.616 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129350583 828603693 /nfs/dbraw/zinc/60/36/93/828603693.db2.gz BYUANIGOKCUXHU-UHFFFAOYSA-N 2 0 325.413 -0.812 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821502 824441891 /nfs/dbraw/zinc/44/18/91/824441891.db2.gz NBROKYSEGIYVCT-ZNMIVQPWSA-N 2 0 333.436 -0.309 20 30 EBEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685320 828655693 /nfs/dbraw/zinc/65/56/93/828655693.db2.gz QKQIXAWKYPERHO-PMPSAXMXSA-N 2 0 348.451 -0.084 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091255 828730273 /nfs/dbraw/zinc/73/02/73/828730273.db2.gz IJOVZUMQEOZOJE-CABCVRRESA-N 2 0 328.420 -0.261 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136966 828739005 /nfs/dbraw/zinc/73/90/05/828739005.db2.gz BQVXIDYEBRFEAM-CVEARBPZSA-N 2 0 348.451 -0.390 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578321 825458490 /nfs/dbraw/zinc/45/84/90/825458490.db2.gz JMCKDQJMQOELSX-BXWFABGCSA-N 2 0 346.475 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C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001124873543 827972734 /nfs/dbraw/zinc/97/27/34/827972734.db2.gz XUJQUJXUGOEVJV-KRWDZBQOSA-N 2 0 342.443 -0.046 20 30 EBEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183868506 833310264 /nfs/dbraw/zinc/31/02/64/833310264.db2.gz MRFZKRXDVIFXQT-CABCVRRESA-N 2 0 335.452 -0.063 20 30 EBEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185679758 833366867 /nfs/dbraw/zinc/36/68/67/833366867.db2.gz BNKFFQMSKBKPMM-GJZGRUSLSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849948 829687426 /nfs/dbraw/zinc/68/74/26/829687426.db2.gz IAZXTEHECFDZEK-MRXNPFEDSA-N 2 0 326.416 -0.346 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020965 829713183 /nfs/dbraw/zinc/71/31/83/829713183.db2.gz MIHWXLXFUBPRBT-LSDHHAIUSA-N 2 0 338.452 -0.669 20 30 EBEDRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001134121262 829728712 /nfs/dbraw/zinc/72/87/12/829728712.db2.gz UUQJQJCNSDIAMG-CVEARBPZSA-N 2 0 343.431 -0.323 20 30 EBEDRP C#CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143915675 830156916 /nfs/dbraw/zinc/15/69/16/830156916.db2.gz HTZIONGLKJSYQE-YOPIWALVSA-N 2 0 341.452 -0.085 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC001146584489 830210829 /nfs/dbraw/zinc/21/08/29/830210829.db2.gz SQTYLHFWGRJDCV-KGLIPLIRSA-N 2 0 347.467 -0.072 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000106 830436258 /nfs/dbraw/zinc/43/62/58/830436258.db2.gz KUJKEDAKYJYERR-GFCCVEGCSA-N 2 0 337.424 -0.812 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091552 831626863 /nfs/dbraw/zinc/62/68/63/831626863.db2.gz FMROMTRPJGPDFJ-WMLDXEAASA-N 2 0 327.388 -0.881 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997098 831803114 /nfs/dbraw/zinc/80/31/14/831803114.db2.gz FWLDJSNFQOEOQX-UHFFFAOYSA-N 2 0 339.440 -0.422 20 30 EBEDRP N#Cc1ccc(N2CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)nc1 ZINC001160603013 831870247 /nfs/dbraw/zinc/87/02/47/831870247.db2.gz NKUUWCIVBWPROB-HNNXBMFYSA-N 2 0 340.431 -0.199 20 30 EBEDRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CCC1 ZINC001165465195 832221095 /nfs/dbraw/zinc/22/10/95/832221095.db2.gz WXWNWGKIFCQIAX-UHFFFAOYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167235859 832318893 /nfs/dbraw/zinc/31/88/93/832318893.db2.gz BCLDAVPCLRRJIX-KBPBESRZSA-N 2 0 335.452 -0.300 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746681 832370199 /nfs/dbraw/zinc/37/01/99/832370199.db2.gz UGHRRXMEJWAFOG-UHFFFAOYSA-N 2 0 332.448 -0.292 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043373 832389100 /nfs/dbraw/zinc/38/91/00/832389100.db2.gz JMTXNWIYFGOUEZ-UHFFFAOYSA-N 2 0 336.440 -0.544 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171763038 832575150 /nfs/dbraw/zinc/57/51/50/832575150.db2.gz RVQGPSZLCKIFIF-UHFFFAOYSA-N 2 0 327.429 -0.564 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171770696 832575555 /nfs/dbraw/zinc/57/55/55/832575555.db2.gz XZCQYDWJTSUBPG-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001176930913 832712961 /nfs/dbraw/zinc/71/29/61/832712961.db2.gz SSJXSIICLBFAJO-KRWDZBQOSA-N 2 0 347.463 -0.315 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143078 834616925 /nfs/dbraw/zinc/61/69/25/834616925.db2.gz KYUDXHPUHQUFCP-ZBFHGGJFSA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832390 835155406 /nfs/dbraw/zinc/15/54/06/835155406.db2.gz NTPBLUYKKGZTBB-YLADIXGZSA-N 2 0 335.448 -0.023 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796383 836036641 /nfs/dbraw/zinc/03/66/41/836036641.db2.gz XFFCAXSICITMDN-LSDHHAIUSA-N 2 0 340.468 -0.164 20 30 EBEDRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201277359 836121832 /nfs/dbraw/zinc/12/18/32/836121832.db2.gz QGJZGIXIUJXRPX-CQSZACIVSA-N 2 0 339.440 -0.825 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048916 836240316 /nfs/dbraw/zinc/24/03/16/836240316.db2.gz JPXQUONJGZUJNF-OAHLLOKOSA-N 2 0 336.436 -0.961 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001203517768 836441364 /nfs/dbraw/zinc/44/13/64/836441364.db2.gz BCVIZBAQCMMIBR-KRWDZBQOSA-N 2 0 333.436 -0.307 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461801 836568345 /nfs/dbraw/zinc/56/83/45/836568345.db2.gz ONUASDWXQLSSGH-KRWDZBQOSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206275631 836635247 /nfs/dbraw/zinc/63/52/47/836635247.db2.gz XIWBUFQKTDPVCP-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208260713 836963787 /nfs/dbraw/zinc/96/37/87/836963787.db2.gz CKGZHUDZHNPLSC-KGLIPLIRSA-N 2 0 341.431 -0.113 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684187 837318183 /nfs/dbraw/zinc/31/81/83/837318183.db2.gz FTPJQNYDHBUYLB-CABCVRRESA-N 2 0 332.448 -0.199 20 30 EBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261916 838734073 /nfs/dbraw/zinc/73/40/73/838734073.db2.gz FSCNYGOOHDJXKT-HOTGVXAUSA-N 2 0 325.453 -0.175 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001320927992 838863669 /nfs/dbraw/zinc/86/36/69/838863669.db2.gz DMSCMHKGZRREEV-OAHLLOKOSA-N 2 0 348.447 -0.425 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCS(C)(=O)=O)CC1 ZINC001322088053 839135861 /nfs/dbraw/zinc/13/58/61/839135861.db2.gz LLBBIELBWTVDKM-ZDUSSCGKSA-N 2 0 329.466 -0.530 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001323871203 839548317 /nfs/dbraw/zinc/54/83/17/839548317.db2.gz BHSBHSJNKWRECH-SFHVURJKSA-N 2 0 332.448 -0.244 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@H](O)COC)CC1 ZINC001324286416 839623538 /nfs/dbraw/zinc/62/35/38/839623538.db2.gz QFRKGGQEHDZDSH-IRXDYDNUSA-N 2 0 337.464 -0.081 20 30 EBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326980969 840259529 /nfs/dbraw/zinc/25/95/29/840259529.db2.gz ZPWUGIOERHITHO-DLBZAZTESA-N 2 0 335.448 -0.205 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001326987244 840260097 /nfs/dbraw/zinc/26/00/97/840260097.db2.gz APLANPIZBZTDSI-AWEZNQCLSA-N 2 0 338.452 -0.410 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001329203006 840872756 /nfs/dbraw/zinc/87/27/56/840872756.db2.gz PVLNJXSCZXUMQM-KBPBESRZSA-N 2 0 333.436 -0.546 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001329203009 840873837 /nfs/dbraw/zinc/87/38/37/840873837.db2.gz PVLNJXSCZXUMQM-ZIAGYGMSSA-N 2 0 333.436 -0.546 20 30 EBEDRP C[N@H+](CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1)C1CCC1 ZINC001332385527 841631154 /nfs/dbraw/zinc/63/11/54/841631154.db2.gz BKXQSGLFJBIXPB-AWEZNQCLSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC#CCOC)CC1 ZINC001332677536 841715478 /nfs/dbraw/zinc/71/54/78/841715478.db2.gz STWQTFLRWVQZPV-GOSISDBHSA-N 2 0 349.475 -0.268 20 30 EBEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001332928017 841766443 /nfs/dbraw/zinc/76/64/43/841766443.db2.gz AOVOYJJDHDUJDW-HOTGVXAUSA-N 2 0 337.468 -0.080 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001691128812 1125836224 /nfs/dbraw/zinc/83/62/24/1125836224.db2.gz VPPCADXTTKQWKE-FZNQNYSPSA-N 2 0 345.447 -0.544 20 30 EBEDRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001691470608 1125883143 /nfs/dbraw/zinc/88/31/43/1125883143.db2.gz NXGINSSBAUOUGN-GASCZTMLSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001481488454 1126002148 /nfs/dbraw/zinc/00/21/48/1126002148.db2.gz SZCPSMOVKQDYBX-CQSZACIVSA-N 2 0 335.452 -0.109 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365743 1126139387 /nfs/dbraw/zinc/13/93/87/1126139387.db2.gz XQJWTOHLFMTDCK-STQMWFEESA-N 2 0 339.440 -0.614 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001482663765 1126248390 /nfs/dbraw/zinc/24/83/90/1126248390.db2.gz BXAWTMGLMKJJSE-GJZGRUSLSA-N 2 0 345.447 -0.355 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482696924 1126253537 /nfs/dbraw/zinc/25/35/37/1126253537.db2.gz YBFVJBTZALGEKQ-HUUCEWRRSA-N 2 0 332.448 -0.294 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484963141 1126656939 /nfs/dbraw/zinc/65/69/39/1126656939.db2.gz MKYSXEHQSVMARP-CQSZACIVSA-N 2 0 338.452 -0.981 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CCCO)C2)CC1 ZINC001485651458 1126778246 /nfs/dbraw/zinc/77/82/46/1126778246.db2.gz UQZOVQSOHTZISR-RDJZCZTQSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOCCO)C[C@H]2C)CC1 ZINC001486133623 1127045096 /nfs/dbraw/zinc/04/50/96/1127045096.db2.gz FHWBUAAZHIXZSQ-NVXWUHKLSA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001486167702 1127053437 /nfs/dbraw/zinc/05/34/37/1127053437.db2.gz TVCAJMRANJHJDH-ARFHVFGLSA-N 2 0 347.463 -0.061 20 30 EBEDRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001486248595 1127067165 /nfs/dbraw/zinc/06/71/65/1127067165.db2.gz XQVWNUNVENYNBJ-ZDUSSCGKSA-N 2 0 333.436 -0.451 20 30 EBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001486307503 1127112588 /nfs/dbraw/zinc/11/25/88/1127112588.db2.gz DHDOYXMXDWMWEZ-OAHLLOKOSA-N 2 0 341.452 -0.844 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCCN2CC[NH+](CCO)CC2)CC1 ZINC001490476758 1129185999 /nfs/dbraw/zinc/18/59/99/1129185999.db2.gz MGMFHNFYRLPDLN-UHFFFAOYSA-N 2 0 336.480 -0.552 20 30 EBEDRP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593772300 377912047 /nfs/dbraw/zinc/91/20/47/377912047.db2.gz AWPRMZKWUORJPU-UHFFFAOYSA-N 2 0 343.431 -0.026 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000491702573 379617503 /nfs/dbraw/zinc/61/75/03/379617503.db2.gz WCCORAJFGNHRNK-UHFFFAOYSA-N 2 0 349.479 -0.109 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000491732265 379622181 /nfs/dbraw/zinc/62/21/81/379622181.db2.gz HKQOMXWOAWCEMX-HNNXBMFYSA-N 2 0 337.468 -0.172 20 30 EBEDRP C[C@H]1OCC[C@@H]1[N@@H+](CC#CC[NH+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175179 380756911 /nfs/dbraw/zinc/75/69/11/380756911.db2.gz UJWVKVJECOLRGC-MHORFTMASA-N 2 0 340.464 -0.067 20 30 EBEDRP C[C@H](C#N)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000345301090 381039868 /nfs/dbraw/zinc/03/98/68/381039868.db2.gz ZMTIGVKLCKXSEE-CQSZACIVSA-N 2 0 335.452 -0.157 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419734036 381492738 /nfs/dbraw/zinc/49/27/38/381492738.db2.gz USEQVRUCGMVTMD-TZMCWYRMSA-N 2 0 338.452 -0.018 20 30 EBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330008673 381704412 /nfs/dbraw/zinc/70/44/12/381704412.db2.gz FQINRFJHYHDLAU-MRXNPFEDSA-N 2 0 339.484 -0.057 20 30 EBEDRP C#CCNC(=O)CN1CCCN(C(=O)CCCn2ccnc2)CC1 ZINC000733150312 582856367 /nfs/dbraw/zinc/85/63/67/582856367.db2.gz HOVAXSOCWGOGSA-UHFFFAOYSA-N 2 0 331.420 -0.053 20 30 EBEDRP C#C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000809309339 583677040 /nfs/dbraw/zinc/67/70/40/583677040.db2.gz OQJXBGLDXVJFFZ-LSDHHAIUSA-N 2 0 338.452 -0.765 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1=O ZINC000844195014 584090931 /nfs/dbraw/zinc/09/09/31/584090931.db2.gz PATUMPGERDBJBJ-KBUPBQIOSA-N 2 0 333.436 -0.453 20 30 EBEDRP C#CCN1CCN(C(=O)C[N@H+](CCN2CCOCC2)CC2CC2)CC1 ZINC000852635645 584214085 /nfs/dbraw/zinc/21/40/85/584214085.db2.gz IKGPSKCXHMSKSS-UHFFFAOYSA-N 2 0 348.491 -0.192 20 30 EBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884406010 584622993 /nfs/dbraw/zinc/62/29/93/584622993.db2.gz JXNXSLIFAOIYJI-UUCFBXCCSA-N 2 0 335.452 -0.396 20 30 EBEDRP C#CCN1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000890362682 584694216 /nfs/dbraw/zinc/69/42/16/584694216.db2.gz GMHWNSPUKBNFNQ-HNNXBMFYSA-N 2 0 337.468 -0.255 20 30 EBEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000179125340 649980006 /nfs/dbraw/zinc/98/00/06/649980006.db2.gz SZAWGKUARHUNOD-UHFFFAOYSA-N 2 0 333.440 -0.260 20 30 EBEDRP C[C@@H]1CN(C(=[NH2+])NCC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000263109865 649988669 /nfs/dbraw/zinc/98/86/69/649988669.db2.gz KYICATRWVPYRIB-OAHLLOKOSA-N 2 0 339.484 -0.182 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303768979 649993049 /nfs/dbraw/zinc/99/30/49/649993049.db2.gz ARICWRCJORGWBK-MRXNPFEDSA-N 2 0 341.500 -0.160 20 30 EBEDRP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000923405642 650339438 /nfs/dbraw/zinc/33/94/38/650339438.db2.gz TXQQCLSPFCRVCA-HNNXBMFYSA-N 2 0 335.452 -0.277 20 30 EBEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958247534 722333202 /nfs/dbraw/zinc/33/32/02/722333202.db2.gz AKDSKKVYEGBGGQ-CJNGLKHVSA-N 2 0 325.372 -0.077 20 30 EBEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962298944 723220614 /nfs/dbraw/zinc/22/06/14/723220614.db2.gz PYMHUFDZFFPTRX-QXSJWSMHSA-N 2 0 344.459 -0.085 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC)C[C@H]32)CC1 ZINC000962777505 723322272 /nfs/dbraw/zinc/32/22/72/723322272.db2.gz ORIKHMZIOUFDDX-OJLVUWQFSA-N 2 0 332.448 -0.488 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC000962777212 723322354 /nfs/dbraw/zinc/32/23/54/723322354.db2.gz OCCHLSZILKEYJO-TWMKSMIVSA-N 2 0 344.459 -0.391 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000973964683 725836326 /nfs/dbraw/zinc/83/63/26/725836326.db2.gz KBUTWNTYPGGMIO-QXSJWSMHSA-N 2 0 332.448 -0.058 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC000993855350 725954426 /nfs/dbraw/zinc/95/44/26/725954426.db2.gz OPFPQYJYSFNHRI-WMLDXEAASA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC000997362825 726448034 /nfs/dbraw/zinc/44/80/34/726448034.db2.gz CKLJPUDPQXLFPW-MRXNPFEDSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035119 726552074 /nfs/dbraw/zinc/55/20/74/726552074.db2.gz MGFRRJOBGKLRJL-HNNXBMFYSA-N 2 0 328.420 -0.130 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001021090566 729281762 /nfs/dbraw/zinc/28/17/62/729281762.db2.gz ZDLJWQCUCHSVDN-KKUMJFAQSA-N 2 0 346.431 -0.626 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001030019228 730535664 /nfs/dbraw/zinc/53/56/64/730535664.db2.gz YMFCRSHMBFADKA-XHSDSOJGSA-N 2 0 332.448 -0.105 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H]2CCCNC2=O)CC1 ZINC001032800275 730934184 /nfs/dbraw/zinc/93/41/84/730934184.db2.gz FECVWNQXGCCQPW-ULQDDVLXSA-N 2 0 344.459 -0.105 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001035131305 731190689 /nfs/dbraw/zinc/19/06/89/731190689.db2.gz HFUSPZCTWXDATC-HZPDHXFCSA-N 2 0 332.448 -0.199 20 30 EBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055629682 736414750 /nfs/dbraw/zinc/41/47/50/736414750.db2.gz HKLRTKZUTINCJH-UKRRQHHQSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078108 740686223 /nfs/dbraw/zinc/68/62/23/740686223.db2.gz WAZFPRNFAGJPLJ-CABCVRRESA-N 2 0 328.420 -0.261 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001073455708 741617271 /nfs/dbraw/zinc/61/72/71/741617271.db2.gz MNZARPPVGVZAJX-UHFFFAOYSA-N 2 0 346.475 -0.046 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC000978278066 804763685 /nfs/dbraw/zinc/76/36/85/804763685.db2.gz CRNNESSLXKTJQR-NXOAAHMSSA-N 2 0 344.459 -0.343 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000985155160 807455855 /nfs/dbraw/zinc/45/58/55/807455855.db2.gz QPEARLDCIDZAFU-BPUTZDHNSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC000985155169 807456514 /nfs/dbraw/zinc/45/65/14/807456514.db2.gz QPEARLDCIDZAFU-FVQBIDKESA-N 2 0 332.448 -0.296 20 30 EBEDRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001218200633 810481569 /nfs/dbraw/zinc/48/15/69/810481569.db2.gz MNWPPYCFEWBOLM-DTWKUNHWSA-N 2 0 335.364 -0.749 20 30 EBEDRP N#Cc1ccc([C@@H](C(=O)NCCC2(O)C[NH2+]C2)N2CC[NH2+]CC2)cc1 ZINC001219696972 810799663 /nfs/dbraw/zinc/79/96/63/810799663.db2.gz ODYCBVXEAXAOLG-INIZCTEOSA-N 2 0 343.431 -0.655 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220162147 811004218 /nfs/dbraw/zinc/00/42/18/811004218.db2.gz IBMPGXVLKQSIIY-XFMPKHEZSA-N 2 0 345.465 -0.268 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779427 811237923 /nfs/dbraw/zinc/23/79/23/811237923.db2.gz SRTVVRHDZFRDFN-WVWOOGAGSA-N 2 0 331.438 -0.387 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC(N)=O)C2)CC1 ZINC001036902388 811308498 /nfs/dbraw/zinc/30/84/98/811308498.db2.gz JXNZHSLLYWWJLN-HOTGVXAUSA-N 2 0 332.448 -0.260 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168173 811797092 /nfs/dbraw/zinc/79/70/92/811797092.db2.gz OTGSDTSCXYHWCF-MRXNPFEDSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263878074 813132485 /nfs/dbraw/zinc/13/24/85/813132485.db2.gz KRPJUOAGYLTCGJ-QKPAOTATSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001264476173 813178271 /nfs/dbraw/zinc/17/82/71/813178271.db2.gz JBAJVPGQSSMBEL-UONOGXRCSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@@H]2CCNC2=O)C2CC2)CC1 ZINC001265382223 813316117 /nfs/dbraw/zinc/31/61/17/813316117.db2.gz KPLZVXXUOKRBHB-CVEARBPZSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(=O)N(C)C)C2)CC1 ZINC001266041339 813444099 /nfs/dbraw/zinc/44/40/99/813444099.db2.gz TWGYCZCIVSGWRP-HNNXBMFYSA-N 2 0 334.464 -0.142 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266066656 813450309 /nfs/dbraw/zinc/45/03/09/813450309.db2.gz DQNSXQSOWPLUPQ-HUUCEWRRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266901118 813696239 /nfs/dbraw/zinc/69/62/39/813696239.db2.gz RPRQJDBDXAMVJR-MNLARUNXSA-N 2 0 344.459 -0.488 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266981419 813719876 /nfs/dbraw/zinc/71/98/76/813719876.db2.gz JUWNBVIFCHPYCV-ZIAGYGMSSA-N 2 0 338.452 -0.671 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268098876 814125696 /nfs/dbraw/zinc/12/56/96/814125696.db2.gz JQXPKZRDVYZUQR-AWEZNQCLSA-N 2 0 333.436 -0.592 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC001268100394 814125748 /nfs/dbraw/zinc/12/57/48/814125748.db2.gz WHPBRPUJBQSOBO-HOCLYGCPSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268315302 814191659 /nfs/dbraw/zinc/19/16/59/814191659.db2.gz AIIVAXJGWZBJMP-KGLIPLIRSA-N 2 0 338.452 -0.935 20 30 EBEDRP N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268555433 814290732 /nfs/dbraw/zinc/29/07/32/814290732.db2.gz ITCIABUXLOFWOX-TZARZLCXSA-N 2 0 333.436 -0.095 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001272537667 816465194 /nfs/dbraw/zinc/46/51/94/816465194.db2.gz VNGWOQUPCMSIHW-HUUCEWRRSA-N 2 0 338.452 -0.933 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCc2ccnn2C)CC1 ZINC001272583513 816486527 /nfs/dbraw/zinc/48/65/27/816486527.db2.gz IHBTYBGVNVRTNG-QGZVFWFLSA-N 2 0 347.463 -0.626 20 30 EBEDRP C#CCNC(=O)[C@@H]1CC12CC[NH+](CC(=O)N1CCN(C)CC1)CC2 ZINC001273836030 816779416 /nfs/dbraw/zinc/77/94/16/816779416.db2.gz MELXMCFEGCMBHO-HNNXBMFYSA-N 2 0 332.448 -0.388 20 30 EBEDRP C#CCOC[C@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274555734 817004766 /nfs/dbraw/zinc/00/47/66/817004766.db2.gz ZNMFLAMSYDJRLK-MRXNPFEDSA-N 2 0 337.464 -0.127 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001274906658 817115260 /nfs/dbraw/zinc/11/52/60/817115260.db2.gz JKBDDMGXFAECEE-GFCCVEGCSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCS(C)(=O)=O)CC1 ZINC001275039352 817145381 /nfs/dbraw/zinc/14/53/81/817145381.db2.gz SCHPRLJIHBPCEQ-CQSZACIVSA-N 2 0 343.493 -0.139 20 30 EBEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001277224478 817533299 /nfs/dbraw/zinc/53/32/99/817533299.db2.gz IPFFCFWCCVVWHE-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090635934 817600903 /nfs/dbraw/zinc/60/09/03/817600903.db2.gz AEHVUGRAVIOECC-CVEARBPZSA-N 2 0 333.436 -0.367 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001278025103 817678236 /nfs/dbraw/zinc/67/82/36/817678236.db2.gz KPAXRYWNXSIOGB-HOTGVXAUSA-N 2 0 346.475 -0.094 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278594923 817784078 /nfs/dbraw/zinc/78/40/78/817784078.db2.gz QGRIAMDSNIXFLA-HIFRSBDPSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001278838053 817857841 /nfs/dbraw/zinc/85/78/41/817857841.db2.gz GHEMOQCTQRLVPI-LSDHHAIUSA-N 2 0 338.452 -0.981 20 30 EBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873128 817877392 /nfs/dbraw/zinc/87/73/92/817877392.db2.gz AQNXQCGALSOLEZ-CVEARBPZSA-N 2 0 325.453 -0.271 20 30 EBEDRP C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001282872817 818511781 /nfs/dbraw/zinc/51/17/81/818511781.db2.gz CJGMUXWGWNPQBP-PHZGNYQRSA-N 2 0 334.464 -0.076 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282958566 818549359 /nfs/dbraw/zinc/54/93/59/818549359.db2.gz PHGCNCGWXPRDPK-JYJNAYRXSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283712806 818914158 /nfs/dbraw/zinc/91/41/58/818914158.db2.gz CSGNVRDZBNCQEW-CHWSQXEVSA-N 2 0 339.440 -0.614 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CC1 ZINC001284314485 819180535 /nfs/dbraw/zinc/18/05/35/819180535.db2.gz YEICYBDFEQRHPR-CYBMUJFWSA-N 2 0 335.452 -0.205 20 30 EBEDRP COCC#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560864 819244607 /nfs/dbraw/zinc/24/46/07/819244607.db2.gz FLYWAKKTOTXJSC-INIZCTEOSA-N 2 0 337.464 -0.127 20 30 EBEDRP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284814735 819358936 /nfs/dbraw/zinc/35/89/36/819358936.db2.gz BEELYGJGKBXKNM-KVULBXGLSA-N 2 0 333.436 -0.309 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001284818260 819360234 /nfs/dbraw/zinc/36/02/34/819360234.db2.gz BTGCIMMRZXUMKZ-UHFFFAOYSA-N 2 0 345.447 -0.450 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514080 821135122 /nfs/dbraw/zinc/13/51/22/821135122.db2.gz LSHXYQMRIJDTRY-OWCLPIDISA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@H](O)COC)CC1 ZINC001316609681 821814460 /nfs/dbraw/zinc/81/44/60/821814460.db2.gz FHSRQZHDDYAAKI-SJORKVTESA-N 2 0 337.464 -0.128 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316621967 821819822 /nfs/dbraw/zinc/81/98/22/821819822.db2.gz VKRLVOCUDDJVQM-SOUVJXGZSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001316637676 821823626 /nfs/dbraw/zinc/82/36/26/821823626.db2.gz PJCYRCLRPZDCRD-DZKIICNBSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317277620 822058490 /nfs/dbraw/zinc/05/84/90/822058490.db2.gz VTTDEMWEYMRKAR-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC(=O)NCC#N ZINC001317276385 822058863 /nfs/dbraw/zinc/05/88/63/822058863.db2.gz PMLNHYDYRBTVSG-ZDUSSCGKSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317333440 822085432 /nfs/dbraw/zinc/08/54/32/822085432.db2.gz GCLNYWQXFKRVCX-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001317415955 822104093 /nfs/dbraw/zinc/10/40/93/822104093.db2.gz PXFCNOGPVBIUPY-AWEZNQCLSA-N 2 0 333.436 -0.544 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106244302 822236867 /nfs/dbraw/zinc/23/68/67/822236867.db2.gz IRPKXXNFMCPMMW-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106249999 822237908 /nfs/dbraw/zinc/23/79/08/822237908.db2.gz VJRDIIRVSOPTBY-XPKDYRNWSA-N 2 0 335.452 -0.350 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001318445376 822316366 /nfs/dbraw/zinc/31/63/66/822316366.db2.gz MDYJOHFUEZIWSN-QGZVFWFLSA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NCCNCc1nc(C2CC2)nn1C ZINC001129770331 828666474 /nfs/dbraw/zinc/66/64/74/828666474.db2.gz DOAGWBODFZNOTA-AWEZNQCLSA-N 2 0 330.436 -0.004 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129891971 828689507 /nfs/dbraw/zinc/68/95/07/828689507.db2.gz AYKRIZADQKSOIN-OWCLPIDISA-N 2 0 330.436 -0.017 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992175 828709433 /nfs/dbraw/zinc/70/94/33/828709433.db2.gz OSXRLEKNXDLQMM-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992311 828710568 /nfs/dbraw/zinc/71/05/68/828710568.db2.gz YBGNYADBPHXFTH-CABCVRRESA-N 2 0 336.440 -0.226 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001130249188 828766345 /nfs/dbraw/zinc/76/63/45/828766345.db2.gz OBROFPYKAHHMCJ-IHRRRGAJSA-N 2 0 346.435 -0.532 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419153 828827130 /nfs/dbraw/zinc/82/71/30/828827130.db2.gz MYFLAGNIKFWEFI-UHFFFAOYSA-N 2 0 327.429 -0.566 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179936208 833027907 /nfs/dbraw/zinc/02/79/07/833027907.db2.gz PAILBSCFXFYZNI-ILXRZTDVSA-N 2 0 340.468 -0.166 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001121774064 827446727 /nfs/dbraw/zinc/44/67/27/827446727.db2.gz XJRHUAKKWCGUKN-OQDWRCPYSA-N 2 0 347.463 -0.015 20 30 EBEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121772861 827447208 /nfs/dbraw/zinc/44/72/08/827447208.db2.gz IZUXCNZCMRJDFY-LLHKYXTOSA-N 2 0 347.463 -0.159 20 30 EBEDRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2)[NH+](C)C ZINC001121785275 827449100 /nfs/dbraw/zinc/44/91/00/827449100.db2.gz SPMFAQCXTWCCLO-XJIRZWNVSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185505236 833360723 /nfs/dbraw/zinc/36/07/23/833360723.db2.gz ZDSYOTICSLGODQ-JKSUJKDBSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715960 833367948 /nfs/dbraw/zinc/36/79/48/833367948.db2.gz MAEZYYSADNVZMZ-OLZOCXBDSA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC(N)=O)[C@@H](C)C2)CC1 ZINC001185743384 833368977 /nfs/dbraw/zinc/36/89/77/833368977.db2.gz ZAVWKCDNAPCXHP-GOEBONIOSA-N 2 0 334.464 -0.109 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992609 829567448 /nfs/dbraw/zinc/56/74/48/829567448.db2.gz DSHGGIGOQYTRFX-UHFFFAOYSA-N 2 0 325.413 -0.954 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054485 829718918 /nfs/dbraw/zinc/71/89/18/829718918.db2.gz LHYZECXNUWUFIO-AWEZNQCLSA-N 2 0 326.441 -0.505 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963267 830052799 /nfs/dbraw/zinc/05/27/99/830052799.db2.gz DDQAYOFCBWNAEC-ZDUSSCGKSA-N 2 0 326.441 -0.506 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724232 830401388 /nfs/dbraw/zinc/40/13/88/830401388.db2.gz ICJBCLIYDTVBHG-ZBFHGGJFSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CCNC(=O)CN1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001147724930 830401824 /nfs/dbraw/zinc/40/18/24/830401824.db2.gz NUHNLRDIGRBDKW-UHFFFAOYSA-N 2 0 332.448 -0.246 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001152324730 831152197 /nfs/dbraw/zinc/15/21/97/831152197.db2.gz ZJGFMBCVUSFPDY-CQSZACIVSA-N 2 0 341.477 -0.528 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCNC(=O)NC(C)C)CC1 ZINC001152330493 831152992 /nfs/dbraw/zinc/15/29/92/831152992.db2.gz PMXAPADQDNQQCC-UHFFFAOYSA-N 2 0 337.468 -0.255 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152452164 831164556 /nfs/dbraw/zinc/16/45/56/831164556.db2.gz VKYXGAZRQAUGCG-CYBMUJFWSA-N 2 0 339.440 -0.422 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158162288 831633230 /nfs/dbraw/zinc/63/32/30/831633230.db2.gz WXYHEIOQMSRWTE-MBNYWOFBSA-N 2 0 331.438 -0.562 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158274901 831642940 /nfs/dbraw/zinc/64/29/40/831642940.db2.gz JJRPDIJAXGFZIA-UHFFFAOYSA-N 2 0 336.440 -0.544 20 30 EBEDRP CO[C@@H]1CN(C(=O)[C@@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161494077 831966144 /nfs/dbraw/zinc/96/61/44/831966144.db2.gz XMGDDRGRSKHJNC-GVDBMIGSSA-N 2 0 343.431 -0.311 20 30 EBEDRP CO[C@@H]1CN(C(=O)[C@H](c2ccc(C#N)cc2)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161494076 831966149 /nfs/dbraw/zinc/96/61/49/831966149.db2.gz XMGDDRGRSKHJNC-BBWFWOEESA-N 2 0 343.431 -0.311 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556488 832197817 /nfs/dbraw/zinc/19/78/17/832197817.db2.gz YEBRECZPEICNOA-OAHLLOKOSA-N 2 0 347.463 -0.156 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166707525 832281143 /nfs/dbraw/zinc/28/11/43/832281143.db2.gz GZYJQUWWSBZBJY-OLZOCXBDSA-N 2 0 339.440 -0.708 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166931503 832300055 /nfs/dbraw/zinc/30/00/55/832300055.db2.gz XHWARMAOSXOHNE-HNNXBMFYSA-N 2 0 338.452 -0.667 20 30 EBEDRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167732446 832367874 /nfs/dbraw/zinc/36/78/74/832367874.db2.gz CJBCDUIUFJFBKT-UHFFFAOYSA-N 2 0 339.440 -0.920 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168763686 832435569 /nfs/dbraw/zinc/43/55/69/832435569.db2.gz RNFSVCZTELKLTB-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176096541 832657463 /nfs/dbraw/zinc/65/74/63/832657463.db2.gz UXZVVSZIFSGWRZ-OLZOCXBDSA-N 2 0 339.440 -0.566 20 30 EBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185215 832662178 /nfs/dbraw/zinc/66/21/78/832662178.db2.gz ULCXDCUWLNLTKJ-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001176926408 832712280 /nfs/dbraw/zinc/71/22/80/832712280.db2.gz LBIZYFPONMDOLG-OAHLLOKOSA-N 2 0 332.448 -0.435 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715728 832903834 /nfs/dbraw/zinc/90/38/34/832903834.db2.gz GUFDNUKAWKNDJQ-IMJJTQAJSA-N 2 0 332.448 -0.343 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178814745 832917629 /nfs/dbraw/zinc/91/76/29/832917629.db2.gz WIXRBBYUGMLFOA-KKUMJFAQSA-N 2 0 340.443 -0.005 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472622 832982248 /nfs/dbraw/zinc/98/22/48/832982248.db2.gz PTJGHWCTVUSDQV-STQMWFEESA-N 2 0 339.440 -0.471 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187122459 833903816 /nfs/dbraw/zinc/90/38/16/833903816.db2.gz TVOJQYUCZUORTA-HUUCEWRRSA-N 2 0 338.452 -0.458 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001188091803 834001018 /nfs/dbraw/zinc/00/10/18/834001018.db2.gz OIDSRWOCLUQEIF-OAHLLOKOSA-N 2 0 331.420 -0.838 20 30 EBEDRP N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801659 834193725 /nfs/dbraw/zinc/19/37/25/834193725.db2.gz IRHRRTMQGLKVFT-UONOGXRCSA-N 2 0 331.420 -0.745 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488059 834888290 /nfs/dbraw/zinc/88/82/90/834888290.db2.gz LMIORPVXZMWSEX-GJZGRUSLSA-N 2 0 340.468 -0.212 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872418 836208559 /nfs/dbraw/zinc/20/85/59/836208559.db2.gz OQPPMSAWNXMGAM-HNNXBMFYSA-N 2 0 348.447 -0.961 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202165969 836266533 /nfs/dbraw/zinc/26/65/33/836266533.db2.gz SVYHBMOCLJJXKB-HNNXBMFYSA-N 2 0 338.452 -0.717 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001202179612 836269977 /nfs/dbraw/zinc/26/99/77/836269977.db2.gz ZIXXEIZQZNEBQP-KBPBESRZSA-N 2 0 335.452 -0.063 20 30 EBEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576948 836448984 /nfs/dbraw/zinc/44/89/84/836448984.db2.gz LTQQITRYLKJHLW-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001206132410 836625989 /nfs/dbraw/zinc/62/59/89/836625989.db2.gz FVNZDVAEXFKKPH-UHFFFAOYSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872725 836686142 /nfs/dbraw/zinc/68/61/42/836686142.db2.gz RBWDDUOLDXHQMV-INIZCTEOSA-N 2 0 334.464 -0.094 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208490019 837063269 /nfs/dbraw/zinc/06/32/69/837063269.db2.gz WBRGGFQDZJOLHC-AWEZNQCLSA-N 2 0 333.436 -0.165 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001320112698 838232235 /nfs/dbraw/zinc/23/22/35/838232235.db2.gz FGAUFFQOLPDIGG-HUUCEWRRSA-N 2 0 333.436 -0.355 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001320315582 838756077 /nfs/dbraw/zinc/75/60/77/838756077.db2.gz JLNJFUAVPFLBBW-DLBZAZTESA-N 2 0 337.464 -0.033 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001326987245 840260666 /nfs/dbraw/zinc/26/06/66/840260666.db2.gz APLANPIZBZTDSI-CQSZACIVSA-N 2 0 338.452 -0.410 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028018 841553260 /nfs/dbraw/zinc/55/32/60/841553260.db2.gz NMDPWVQIXHPJDZ-OLZOCXBDSA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001332524027 841660736 /nfs/dbraw/zinc/66/07/36/841660736.db2.gz ZSRKDWHZIOYVAP-KGLIPLIRSA-N 2 0 338.452 -0.983 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)OC)CC1 ZINC001332605988 841687902 /nfs/dbraw/zinc/68/79/02/841687902.db2.gz MKROBBUWRGKDGZ-GDBMZVCRSA-N 2 0 325.453 -0.225 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337078233 842574014 /nfs/dbraw/zinc/57/40/14/842574014.db2.gz SZPBQFVFBRZCKO-SFHVURJKSA-N 2 0 348.491 -0.098 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117640 1125925663 /nfs/dbraw/zinc/92/56/63/1125925663.db2.gz CJOWEYXPIXWSCX-CABCVRRESA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC(=O)NCC#N)CC1 ZINC001482969789 1126307885 /nfs/dbraw/zinc/30/78/85/1126307885.db2.gz KMLVIBIEKIBKLL-UHFFFAOYSA-N 2 0 333.436 -0.591 20 30 EBEDRP C#CCN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CC[NH+](CCO)CC1 ZINC001483987814 1126495679 /nfs/dbraw/zinc/49/56/79/1126495679.db2.gz FROUFAWDOHKQJD-UHFFFAOYSA-N 2 0 347.463 -0.023 20 30 EBEDRP CCC1([NH2+]CC(=O)NCC#N)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819300 1126638089 /nfs/dbraw/zinc/63/80/89/1126638089.db2.gz LMWFQEXDUJJEFO-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643596 1126786285 /nfs/dbraw/zinc/78/62/85/1126786285.db2.gz LHBJXAKNDLNMGR-KBPBESRZSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092300517 1128222517 /nfs/dbraw/zinc/22/25/17/1128222517.db2.gz YPRSMOYOCUAAPX-OGWOLHLISA-N 2 0 346.475 -0.014 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691742696 1129715254 /nfs/dbraw/zinc/71/52/54/1129715254.db2.gz HAZLPFPVHFMXGQ-YHUYYLMFSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691742694 1129715319 /nfs/dbraw/zinc/71/53/19/1129715319.db2.gz HAZLPFPVHFMXGQ-QXSJWSMHSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264628 1130378093 /nfs/dbraw/zinc/37/80/93/1130378093.db2.gz UEIIPCNFOBIJDH-HUUCEWRRSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[C@H]1OCC[C@H]1[N@@H+](CC#CC[NH+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175181 380757831 /nfs/dbraw/zinc/75/78/31/380757831.db2.gz UJWVKVJECOLRGC-USTZCAOPSA-N 2 0 340.464 -0.067 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000343760790 381009439 /nfs/dbraw/zinc/00/94/39/381009439.db2.gz GBGNZHGKJQTVAS-UHFFFAOYSA-N 2 0 340.468 -0.210 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419734030 381491120 /nfs/dbraw/zinc/49/11/20/381491120.db2.gz USEQVRUCGMVTMD-JSGCOSHPSA-N 2 0 338.452 -0.018 20 30 EBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000329365409 381596182 /nfs/dbraw/zinc/59/61/82/381596182.db2.gz JYTBYRWAODYOEU-AWEZNQCLSA-N 2 0 327.473 -0.153 20 30 EBEDRP CC[NH+]1CCN(CCNC(NCCN2CCOCC2)=[NH+]C)CC1 ZINC000104168506 582567431 /nfs/dbraw/zinc/56/74/31/582567431.db2.gz RSHMEWGIFCKVQH-UHFFFAOYSA-N 2 0 326.489 -0.879 20 30 EBEDRP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000900306230 582766487 /nfs/dbraw/zinc/76/64/87/582766487.db2.gz PRWPTUPGRIKVTF-VGWMRTNUSA-N 2 0 334.464 -0.076 20 30 EBEDRP C#C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000809309327 583676890 /nfs/dbraw/zinc/67/68/90/583676890.db2.gz OQJXBGLDXVJFFZ-CABCVRRESA-N 2 0 338.452 -0.765 20 30 EBEDRP C#C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCO1 ZINC000809309337 583677050 /nfs/dbraw/zinc/67/70/50/583677050.db2.gz OQJXBGLDXVJFFZ-HUUCEWRRSA-N 2 0 338.452 -0.765 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000849074551 584165694 /nfs/dbraw/zinc/16/56/94/584165694.db2.gz WWASNSANUAYSPE-LSDHHAIUSA-N 2 0 325.457 -0.653 20 30 EBEDRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852870153 584218141 /nfs/dbraw/zinc/21/81/41/584218141.db2.gz JZMWFIMGSBCQRL-UHFFFAOYSA-N 2 0 346.435 -0.498 20 30 EBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302757 584461512 /nfs/dbraw/zinc/46/15/12/584461512.db2.gz LGPMIAPIOMLHFS-KXNHARMFSA-N 2 0 328.800 -0.150 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCN(C(=O)C2CC2)CC1 ZINC000261869580 649985431 /nfs/dbraw/zinc/98/54/31/649985431.db2.gz SDBRVVGGGHSLTR-INIZCTEOSA-N 2 0 348.495 -0.448 20 30 EBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261956342 649985486 /nfs/dbraw/zinc/98/54/86/649985486.db2.gz IWJISFAFFZGXDS-HNNXBMFYSA-N 2 0 338.500 -0.391 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000911236821 650161712 /nfs/dbraw/zinc/16/17/12/650161712.db2.gz SKGNEGKCVXYMFN-HNNXBMFYSA-N 2 0 338.452 -0.410 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)[C@H](C#N)C1 ZINC000912536279 650206717 /nfs/dbraw/zinc/20/67/17/650206717.db2.gz SBHCUNIIHZYNFV-OAHLLOKOSA-N 2 0 333.436 -0.215 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913524141 650235652 /nfs/dbraw/zinc/23/56/52/650235652.db2.gz BCSSJFQWFGLFJU-IAGOWNOFSA-N 2 0 346.475 -0.235 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)CC1 ZINC000930006396 651575576 /nfs/dbraw/zinc/57/55/76/651575576.db2.gz FGXVLUPUVJWRAH-OAHLLOKOSA-N 2 0 340.468 -0.164 20 30 EBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000246374630 719409263 /nfs/dbraw/zinc/40/92/63/719409263.db2.gz MDHQPYINBRFHDA-LSDHHAIUSA-N 2 0 337.468 -0.163 20 30 EBEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958247536 722333233 /nfs/dbraw/zinc/33/32/33/722333233.db2.gz AKDSKKVYEGBGGQ-XJKSGUPXSA-N 2 0 325.372 -0.077 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000962809683 723328642 /nfs/dbraw/zinc/32/86/42/723328642.db2.gz QPEARLDCIDZAFU-BCLQGDPASA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCn2cncn2)C1 ZINC000969865500 725223824 /nfs/dbraw/zinc/22/38/24/725223824.db2.gz PLTABGUCGJKROA-HOCLYGCPSA-N 2 0 330.436 -0.188 20 30 EBEDRP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035122 726552151 /nfs/dbraw/zinc/55/21/51/726552151.db2.gz MGFRRJOBGKLRJL-OAHLLOKOSA-N 2 0 328.420 -0.130 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001016336023 728458208 /nfs/dbraw/zinc/45/82/08/728458208.db2.gz HHRFBQKKLNQXQI-MRXNPFEDSA-N 2 0 330.436 -0.186 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001019815337 728998870 /nfs/dbraw/zinc/99/88/70/728998870.db2.gz DXJPUAAALXTATE-INIZCTEOSA-N 2 0 330.436 -0.186 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001021092667 729282266 /nfs/dbraw/zinc/28/22/66/729282266.db2.gz PCYKQSNWTPWXIU-HDJSIYSDSA-N 2 0 346.435 -0.810 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001029003594 730382865 /nfs/dbraw/zinc/38/28/65/730382865.db2.gz NXXLHVWSNXLZQA-ZBFHGGJFSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@@H]3C2)CC1 ZINC001049235782 734695223 /nfs/dbraw/zinc/69/52/23/734695223.db2.gz VYRXJIFKJPKFEW-OIISXLGYSA-N 2 0 346.475 -0.144 20 30 EBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055629681 736414661 /nfs/dbraw/zinc/41/46/61/736414661.db2.gz HKLRTKZUTINCJH-HIFRSBDPSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077417916 742964943 /nfs/dbraw/zinc/96/49/43/742964943.db2.gz DLUQLUJOVRNHBY-YLADIXGZSA-N 2 0 335.448 -0.023 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC000979084290 805127037 /nfs/dbraw/zinc/12/70/37/805127037.db2.gz DMWLIQZFOMOHJZ-QCEMKRCNSA-N 2 0 332.448 -0.501 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413487 810327359 /nfs/dbraw/zinc/32/73/59/810327359.db2.gz GYKNFIDHUSSLIS-RBSFLKMASA-N 2 0 334.464 -0.097 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216854046 810396384 /nfs/dbraw/zinc/39/63/84/810396384.db2.gz RMQFTNVKLMIMKO-RBSFLKMASA-N 2 0 335.452 -0.063 20 30 EBEDRP N#Cc1c(NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)sc2c1CC[NH2+]C2 ZINC001218553367 810502225 /nfs/dbraw/zinc/50/22/25/810502225.db2.gz PKLRDPSPUGZXGZ-GFCCVEGCSA-N 2 0 331.401 -0.318 20 30 EBEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034100 810956330 /nfs/dbraw/zinc/95/63/30/810956330.db2.gz NTPBLUYKKGZTBB-OWQJAQGESA-N 2 0 335.448 -0.023 20 30 EBEDRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C[NH2+]C1 ZINC001220826977 811256433 /nfs/dbraw/zinc/25/64/33/811256433.db2.gz DSHGMVKXLNVOOI-AWEZNQCLSA-N 2 0 328.372 -0.035 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001222044194 811586303 /nfs/dbraw/zinc/58/63/03/811586303.db2.gz RSTRKRBEOLPURR-QZTJIDSGSA-N 2 0 349.475 -0.127 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001224326901 811757579 /nfs/dbraw/zinc/75/75/79/811757579.db2.gz VVUQCQNHBPBUIK-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCOCCO)CC2)CC1 ZINC001230354994 812107387 /nfs/dbraw/zinc/10/73/87/812107387.db2.gz OOMFNGMLLMMYJL-UHFFFAOYSA-N 2 0 337.464 -0.079 20 30 EBEDRP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001263904799 813134914 /nfs/dbraw/zinc/13/49/14/813134914.db2.gz DAAPDMWUJJRYQY-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001264406909 813172134 /nfs/dbraw/zinc/17/21/34/813172134.db2.gz OAAMDXPSOXSMIJ-IYBDPMFKSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@H]2CCNC2=O)C2CC2)CC1 ZINC001265382224 813315467 /nfs/dbraw/zinc/31/54/67/813315467.db2.gz KPLZVXXUOKRBHB-HOTGVXAUSA-N 2 0 332.448 -0.296 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266067137 813449498 /nfs/dbraw/zinc/44/94/98/813449498.db2.gz IZJMSJMGGNKKNF-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266593322 813616468 /nfs/dbraw/zinc/61/64/68/813616468.db2.gz FBMKFWHBQHVUIQ-MIGQKNRLSA-N 2 0 332.448 -0.297 20 30 EBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267557283 813930473 /nfs/dbraw/zinc/93/04/73/813930473.db2.gz BJZCXAMNYRBIDK-LSDHHAIUSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2conc2C)CC1 ZINC001268334699 814213798 /nfs/dbraw/zinc/21/37/98/814213798.db2.gz LMBYHKAROMOHLC-MRXNPFEDSA-N 2 0 334.420 -0.105 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@@H+]1C ZINC001269071409 814516143 /nfs/dbraw/zinc/51/61/43/814516143.db2.gz IUOIXPWJJSKELC-SOUVJXGZSA-N 2 0 335.452 -0.159 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269084034 814521985 /nfs/dbraw/zinc/52/19/85/814521985.db2.gz IWXVENPKJUNNPR-HNNXBMFYSA-N 2 0 347.463 -0.013 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001269084035 814522413 /nfs/dbraw/zinc/52/24/13/814522413.db2.gz IWXVENPKJUNNPR-OAHLLOKOSA-N 2 0 347.463 -0.013 20 30 EBEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269442236 814694192 /nfs/dbraw/zinc/69/41/92/814694192.db2.gz CIAWEIJZVNNJEV-AWEZNQCLSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001269644444 814754717 /nfs/dbraw/zinc/75/47/17/814754717.db2.gz FUZVERWYEALIMZ-GUYCJALGSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001270602762 815825287 /nfs/dbraw/zinc/82/52/87/815825287.db2.gz HUSDSHVCRVVOPV-UONOGXRCSA-N 2 0 347.467 -0.042 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)C[C@@H]3C2)C1 ZINC001271880238 816243153 /nfs/dbraw/zinc/24/31/53/816243153.db2.gz KOCUBQVASZDABQ-KFWWJZLASA-N 2 0 333.436 -0.642 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001272512931 816452377 /nfs/dbraw/zinc/45/23/77/816452377.db2.gz MFVZGYBRZNDAOJ-JSGCOSHPSA-N 2 0 326.441 -0.914 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001272545699 816469490 /nfs/dbraw/zinc/46/94/90/816469490.db2.gz ONWUMRPWGIDCNY-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCc2ccnn2C)CC1 ZINC001272583511 816486693 /nfs/dbraw/zinc/48/66/93/816486693.db2.gz IHBTYBGVNVRTNG-KRWDZBQOSA-N 2 0 347.463 -0.626 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273176334 816600415 /nfs/dbraw/zinc/60/04/15/816600415.db2.gz SPBPOEJOOXWJRZ-STQMWFEESA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001273309281 816639822 /nfs/dbraw/zinc/63/98/22/816639822.db2.gz VZFJAKYAQPZBLY-CQSZACIVSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088211951 816649450 /nfs/dbraw/zinc/64/94/50/816649450.db2.gz HVGVYDNZRRLNFH-UAGQMJEPSA-N 2 0 346.475 -0.014 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365325 816654886 /nfs/dbraw/zinc/65/48/86/816654886.db2.gz FVVRKTVKFMOAMX-CABCVRRESA-N 2 0 340.468 -0.166 20 30 EBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090635938 817601691 /nfs/dbraw/zinc/60/16/91/817601691.db2.gz AEHVUGRAVIOECC-JKSUJKDBSA-N 2 0 333.436 -0.367 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278594925 817783993 /nfs/dbraw/zinc/78/39/93/817783993.db2.gz QGRIAMDSNIXFLA-UKRRQHHQSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278594926 817784244 /nfs/dbraw/zinc/78/42/44/817784244.db2.gz QGRIAMDSNIXFLA-ZFWWWQNUSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684889 817793946 /nfs/dbraw/zinc/79/39/46/817793946.db2.gz NOSDGTIOOMCCEA-UONOGXRCSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+][C@H](C)COC)CC1 ZINC001278839375 817859577 /nfs/dbraw/zinc/85/95/77/817859577.db2.gz POJSJDVLVPJSPR-GDBMZVCRSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001279148750 817909032 /nfs/dbraw/zinc/90/90/32/817909032.db2.gz KBKXPVHURLBDEH-GOEBONIOSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279372774 817922212 /nfs/dbraw/zinc/92/22/12/817922212.db2.gz ZYCZSVDZQZCOEN-NCOADZHNSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)CC1 ZINC001284179883 819127178 /nfs/dbraw/zinc/12/71/78/819127178.db2.gz OSUVYBVDPFJJDT-VQFNDLOPSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCOC)C[C@H]2O)CC1 ZINC001100121625 820251493 /nfs/dbraw/zinc/25/14/93/820251493.db2.gz DOELDXBAQFDHFH-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001101976157 820979326 /nfs/dbraw/zinc/97/93/26/820979326.db2.gz LVDNAFNSAIXHRH-FVQBIDKESA-N 2 0 347.463 -0.348 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102050160 821012546 /nfs/dbraw/zinc/01/25/46/821012546.db2.gz YMLPPFWUWYVVBH-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360686 821718850 /nfs/dbraw/zinc/71/88/50/821718850.db2.gz GHJJUCHHUFUFRR-UHFFFAOYSA-N 2 0 328.420 -0.130 20 30 EBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361179 821719111 /nfs/dbraw/zinc/71/91/11/821719111.db2.gz SKUYWJDPNZCFEC-UHFFFAOYSA-N 2 0 334.424 -0.648 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001317093182 822001043 /nfs/dbraw/zinc/00/10/43/822001043.db2.gz NVXKPJSDFGKUOB-SHTZXODSSA-N 2 0 331.420 -0.792 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001317114620 822007301 /nfs/dbraw/zinc/00/73/01/822007301.db2.gz ZTYVEFOCGSPEBA-MJBXVCDLSA-N 2 0 349.435 -0.834 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107631795 823893619 /nfs/dbraw/zinc/89/36/19/823893619.db2.gz FUIJLRASVFVZEW-HDMKZQKVSA-N 2 0 347.463 -0.061 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437030 828619070 /nfs/dbraw/zinc/61/90/70/828619070.db2.gz UWYCDLKCZPHCTG-ZDUSSCGKSA-N 2 0 325.413 -0.956 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129991873 828709038 /nfs/dbraw/zinc/70/90/38/828709038.db2.gz AGKGPKFJAMBHHK-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086174 828729566 /nfs/dbraw/zinc/72/95/66/828729566.db2.gz OKWAUQHKWCPARR-XHSDSOJGSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086239 828730058 /nfs/dbraw/zinc/73/00/58/828730058.db2.gz RAUVJZLBZWELHW-XHSDSOJGSA-N 2 0 330.436 -0.015 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091269 828730469 /nfs/dbraw/zinc/73/04/69/828730469.db2.gz JAAIFSAGNYVLFS-CABCVRRESA-N 2 0 328.420 -0.261 20 30 EBEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125301 828737011 /nfs/dbraw/zinc/73/70/11/828737011.db2.gz GWPQXGSCPRXNFA-CVEARBPZSA-N 2 0 348.451 -0.082 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130305814 828778470 /nfs/dbraw/zinc/77/84/70/828778470.db2.gz LUQSBPGIUJMEHM-QWHCGFSZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130305815 828778615 /nfs/dbraw/zinc/77/86/15/828778615.db2.gz LUQSBPGIUJMEHM-STQMWFEESA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123138 826427489 /nfs/dbraw/zinc/42/74/89/826427489.db2.gz KNPIKJIAVWGYMI-BYNSBNAKSA-N 2 0 332.448 -0.181 20 30 EBEDRP CN1CCN(c2ncc(C[NH2+]CCn3cnc(C#N)n3)cn2)CC1 ZINC001117628879 826789823 /nfs/dbraw/zinc/78/98/23/826789823.db2.gz MJBBJEGVDNVYLD-UHFFFAOYSA-N 2 0 327.396 -0.519 20 30 EBEDRP C[NH+]1CCC(C(=O)NCC#CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001119624218 827126627 /nfs/dbraw/zinc/12/66/27/827126627.db2.gz KQUXNQMWMJBMGH-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867048 827969407 /nfs/dbraw/zinc/96/94/07/827969407.db2.gz QSARTVJVSWTRQP-VXGBXAGGSA-N 2 0 325.413 -0.813 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184434373 833330101 /nfs/dbraw/zinc/33/01/01/833330101.db2.gz WUDKCDZLYKCDHL-NDUQDZPOSA-N 2 0 333.432 -0.310 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[NH+](C)C)n2)O1 ZINC001130802361 828942597 /nfs/dbraw/zinc/94/25/97/828942597.db2.gz PZYSSULOWLULCC-QWHCGFSZSA-N 2 0 334.424 -0.185 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196712 829069586 /nfs/dbraw/zinc/06/95/86/829069586.db2.gz SZWUPBQDGRGKSQ-UHFFFAOYSA-N 2 0 326.360 -0.664 20 30 EBEDRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185501524 833360461 /nfs/dbraw/zinc/36/04/61/833360461.db2.gz GDKVMUGYFNRRJK-LSDHHAIUSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133246314 829610258 /nfs/dbraw/zinc/61/02/58/829610258.db2.gz USNMHRQDWUHGMT-CVEARBPZSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924419 830047587 /nfs/dbraw/zinc/04/75/87/830047587.db2.gz SCZSVBGJTONXTL-UONOGXRCSA-N 2 0 328.457 -0.260 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924420 830048025 /nfs/dbraw/zinc/04/80/25/830048025.db2.gz SCZSVBGJTONXTL-ZIAGYGMSSA-N 2 0 328.457 -0.260 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC001146584490 830210468 /nfs/dbraw/zinc/21/04/68/830210468.db2.gz SQTYLHFWGRJDCV-UONOGXRCSA-N 2 0 347.467 -0.072 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O 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QNNGLMOFECTOSZ-CYBMUJFWSA-N 2 0 329.404 -0.299 20 30 EBEDRP C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801685 834193215 /nfs/dbraw/zinc/19/32/15/834193215.db2.gz JGQGPLGQTQGCJY-LSDHHAIUSA-N 2 0 332.448 -0.083 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CC1 ZINC001190318095 834255565 /nfs/dbraw/zinc/25/55/65/834255565.db2.gz NRKMJPKPFWYYDB-ZWKOTPCHSA-N 2 0 349.475 -0.127 20 30 EBEDRP C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707950 835275375 /nfs/dbraw/zinc/27/53/75/835275375.db2.gz BHUQJMYGQORSKV-BFHYXJOUSA-N 2 0 326.441 -0.820 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200839206 836042630 /nfs/dbraw/zinc/04/26/30/836042630.db2.gz CQSXLALCWSOGSB-OAHLLOKOSA-N 2 0 340.443 -0.004 20 30 EBEDRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201924240 836216643 /nfs/dbraw/zinc/21/66/43/836216643.db2.gz GOARQRUXDXANKH-AWEZNQCLSA-N 2 0 339.440 -0.825 20 30 EBEDRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001203041538 836389079 /nfs/dbraw/zinc/38/90/79/836389079.db2.gz HEINXVTXMTXBOM-UHFFFAOYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203326641 836421180 /nfs/dbraw/zinc/42/11/80/836421180.db2.gz VEVDEZDIRWZFIH-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203355373 836424880 /nfs/dbraw/zinc/42/48/80/836424880.db2.gz ROSBZHIYXCIJRB-UHFFFAOYSA-N 2 0 344.419 -0.018 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732405 836468892 /nfs/dbraw/zinc/46/88/92/836468892.db2.gz YCCLITLMPQCZHS-UONOGXRCSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]C[C@H](O)COC)CC1 ZINC001324286417 839623338 /nfs/dbraw/zinc/62/33/38/839623338.db2.gz QFRKGGQEHDZDSH-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001328869710 840774229 /nfs/dbraw/zinc/77/42/29/840774229.db2.gz VARINYLWGDOZBL-FIYWTHMPSA-N 2 0 330.392 -0.363 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1C[NH+](C)C ZINC001330342817 841169560 /nfs/dbraw/zinc/16/95/60/841169560.db2.gz GATCTIULQNYPBH-ZJIFWQFVSA-N 2 0 349.479 -0.007 20 30 EBEDRP C#CCNC(=O)C[N@@H+](C)C1CCN(C(=O)Cn2cncc2C)CC1 ZINC001331045756 841321783 /nfs/dbraw/zinc/32/17/83/841321783.db2.gz USIVXSSBUGPCNY-UHFFFAOYSA-N 2 0 331.420 -0.136 20 30 EBEDRP OC[C@H]([NH2+]CC#CC[NH2+][C@H](CO)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC001331379191 841399451 /nfs/dbraw/zinc/39/94/51/841399451.db2.gz GVQCJESSCCRSMS-FZDBZEDMSA-N 2 0 340.464 -0.256 20 30 EBEDRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1)C1CCC1 ZINC001332385536 841630774 /nfs/dbraw/zinc/63/07/74/841630774.db2.gz BKXQSGLFJBIXPB-CQSZACIVSA-N 2 0 335.452 -0.063 20 30 EBEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001332928016 841766724 /nfs/dbraw/zinc/76/67/24/841766724.db2.gz AOVOYJJDHDUJDW-CVEARBPZSA-N 2 0 337.468 -0.080 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001337078232 842573987 /nfs/dbraw/zinc/57/39/87/842573987.db2.gz SZPBQFVFBRZCKO-GOSISDBHSA-N 2 0 348.491 -0.098 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@H](C)C(=O)NC)C2CC2)CC1 ZINC001670555566 1125808323 /nfs/dbraw/zinc/80/83/23/1125808323.db2.gz ATUWHGKFSCZCHH-CZUORRHYSA-N 2 0 334.464 -0.050 20 30 EBEDRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001691175021 1125840916 /nfs/dbraw/zinc/84/09/16/1125840916.db2.gz NXGINSSBAUOUGN-SHTZXODSSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001691184384 1125841620 /nfs/dbraw/zinc/84/16/20/1125841620.db2.gz JXMVHNKCARHQEU-JCNLHEQBSA-N 2 0 344.459 -0.435 20 30 EBEDRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001481766442 1126054394 /nfs/dbraw/zinc/05/43/94/1126054394.db2.gz KHOFLHYABOZEDQ-HZPDHXFCSA-N 2 0 347.463 -0.109 20 30 EBEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001691527542 1126189516 /nfs/dbraw/zinc/18/95/16/1126189516.db2.gz BLRHKXLAFKYMKE-MRXNPFEDSA-N 2 0 347.463 -0.023 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001482663766 1126248493 /nfs/dbraw/zinc/24/84/93/1126248493.db2.gz BXAWTMGLMKJJSE-HUUCEWRRSA-N 2 0 345.447 -0.355 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001482797528 1126294045 /nfs/dbraw/zinc/29/40/45/1126294045.db2.gz ATHQELKQLSASGQ-NVXWUHKLSA-N 2 0 337.464 -0.175 20 30 EBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001691541323 1126309082 /nfs/dbraw/zinc/30/90/82/1126309082.db2.gz RXVALMCNRRFFBZ-KBUPBQIOSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001691558256 1126321405 /nfs/dbraw/zinc/32/14/05/1126321405.db2.gz VAXKWRGJGUEJMM-OWCLPIDISA-N 2 0 334.464 -0.144 20 30 EBEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997797 1126496321 /nfs/dbraw/zinc/49/63/21/1126496321.db2.gz YRCRESFBOXXHHQ-CABCVRRESA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239413 1126537053 /nfs/dbraw/zinc/53/70/53/1126537053.db2.gz XQZAHNPNXGLSRA-BBRMVZONSA-N 2 0 326.441 -0.818 20 30 EBEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238569 1126536655 /nfs/dbraw/zinc/53/66/55/1126536655.db2.gz JGVPMQNWGTXNKQ-RHSMWYFYSA-N 2 0 338.452 -0.722 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001484409160 1126570171 /nfs/dbraw/zinc/57/01/71/1126570171.db2.gz KGCUQQNUAHLLFK-HRCADAONSA-N 2 0 346.475 -0.001 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001484678466 1126618918 /nfs/dbraw/zinc/61/89/18/1126618918.db2.gz YPWOOJWPMXMMCA-QLFBSQMISA-N 2 0 338.452 -0.554 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001485962183 1126940603 /nfs/dbraw/zinc/94/06/03/1126940603.db2.gz WILISZHVMJKWOT-DZGCQCFKSA-N 2 0 348.447 -0.427 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001486167705 1127053389 /nfs/dbraw/zinc/05/33/89/1127053389.db2.gz TVCAJMRANJHJDH-OWCLPIDISA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001093224340 1128308947 /nfs/dbraw/zinc/30/89/47/1128308947.db2.gz QYACIEMZSOLQBR-OIISXLGYSA-N 2 0 346.475 -0.096 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001490902076 1130232580 /nfs/dbraw/zinc/23/25/80/1130232580.db2.gz BWAHMMMQSKCUCJ-KBUPBQIOSA-N 2 0 333.436 -0.120 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)C1 ZINC001490976841 1130276097 /nfs/dbraw/zinc/27/60/97/1130276097.db2.gz KAGBRAIZPJJYHU-AVOUXACISA-N 2 0 333.436 -0.311 20 30 EBEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@](O)(CC#N)C2)C1 ZINC000592148685 377796997 /nfs/dbraw/zinc/79/69/97/377796997.db2.gz ZCRXQYKSKBBYQX-WBVHZDCISA-N 2 0 338.452 -0.190 20 30 EBEDRP CN(C)C(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000411946152 379124510 /nfs/dbraw/zinc/12/45/10/379124510.db2.gz KZWROUNXHRKPRU-IYBDPMFKSA-N 2 0 334.464 -0.190 20 30 EBEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261650106 379221625 /nfs/dbraw/zinc/22/16/25/379221625.db2.gz FBFJEPWZGWBSHG-CQSZACIVSA-N 2 0 347.467 -0.014 20 30 EBEDRP CO[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999169 381173794 /nfs/dbraw/zinc/17/37/94/381173794.db2.gz ITBYHWZPRBEVEX-USTZCAOPSA-N 2 0 340.464 -0.067 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419734033 381491689 /nfs/dbraw/zinc/49/16/89/381491689.db2.gz USEQVRUCGMVTMD-OCCSQVGLSA-N 2 0 338.452 -0.018 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430632170 382024260 /nfs/dbraw/zinc/02/42/60/382024260.db2.gz XKXTXDDNVSMQJH-NEPJUHHUSA-N 2 0 325.413 -0.826 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656310708 420888164 /nfs/dbraw/zinc/88/81/64/420888164.db2.gz DGNXHNVZQYEYNF-LSDHHAIUSA-N 2 0 336.436 -0.970 20 30 EBEDRP CO[C@]1(CO)CCCN(CC#CC[N@@H+]2CCC[C@@](CO)(OC)C2)C1 ZINC000661390993 421067078 /nfs/dbraw/zinc/06/70/78/421067078.db2.gz DKOGWJAAAXPNAZ-QZTJIDSGSA-N 2 0 340.464 -0.064 20 30 EBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000133837312 584615116 /nfs/dbraw/zinc/61/51/16/584615116.db2.gz WIKKCCDLPATCPY-STQMWFEESA-N 2 0 331.486 -0.344 20 30 EBEDRP CNC(=O)CC1CCN(C(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1 ZINC000261687648 649984888 /nfs/dbraw/zinc/98/48/88/649984888.db2.gz DTDLFZKJESUFHR-OAHLLOKOSA-N 2 0 336.484 -0.590 20 30 EBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261988170 649986196 /nfs/dbraw/zinc/98/61/96/649986196.db2.gz QQSSXIDFBBBAII-QWHCGFSZSA-N 2 0 335.456 -0.144 20 30 EBEDRP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000262313175 649986804 /nfs/dbraw/zinc/98/68/04/649986804.db2.gz QBMSUUWTRHIYKI-ZIAGYGMSSA-N 2 0 325.457 -0.383 20 30 EBEDRP C[NH+]=C(NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)NCCN1CCOCC1 ZINC000303793573 649993101 /nfs/dbraw/zinc/99/31/01/649993101.db2.gz ZPHWWZLAKKWDDE-HOTGVXAUSA-N 2 0 341.500 -0.017 20 30 EBEDRP C[NH+]=C(NCCCN1CCC[N@H+](C)CC1)NCCN1CCOCC1 ZINC000303981185 649993226 /nfs/dbraw/zinc/99/32/26/649993226.db2.gz OWGCOFMMOBCXIB-UHFFFAOYSA-N 2 0 340.516 -0.489 20 30 EBEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N1CCO[C@@H](COC)C1 ZINC000245898917 719409408 /nfs/dbraw/zinc/40/94/08/719409408.db2.gz KWDHECNBDJJRRK-OAHLLOKOSA-N 2 0 327.473 -0.454 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077195 722301576 /nfs/dbraw/zinc/30/15/76/722301576.db2.gz RHYLRLXITVDJHO-HOCLYGCPSA-N 2 0 333.436 -0.510 20 30 EBEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468179 722371605 /nfs/dbraw/zinc/37/16/05/722371605.db2.gz SULREFSRZQKARW-HOCLYGCPSA-N 2 0 333.436 -0.510 20 30 EBEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1=O ZINC000962552237 723282879 /nfs/dbraw/zinc/28/28/79/723282879.db2.gz CVHNODIUEOPJME-QSJFSLAZSA-N 2 0 332.448 -0.085 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001002001917 726629653 /nfs/dbraw/zinc/62/96/53/726629653.db2.gz QIFPMHJJMHOIEG-KRWDZBQOSA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001021092660 729282223 /nfs/dbraw/zinc/28/22/23/729282223.db2.gz OXYDLZMXLXCXQY-BZUAXINKSA-N 2 0 332.448 -0.153 20 30 EBEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC001046075488 733850404 /nfs/dbraw/zinc/85/04/04/733850404.db2.gz UTXSGQPANZWMEE-KRWDZBQOSA-N 2 0 348.491 -0.051 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)[C@@H]2C)CC1 ZINC001075128593 742186083 /nfs/dbraw/zinc/18/60/83/742186083.db2.gz KDYPNVOUENXKKR-BPUTZDHNSA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001216053706 810356787 /nfs/dbraw/zinc/35/67/87/810356787.db2.gz VPNQTHMZIWALEN-HZPDHXFCSA-N 2 0 334.464 -0.096 20 30 EBEDRP N#Cc1nc[nH]c1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218594244 810508400 /nfs/dbraw/zinc/50/84/00/810508400.db2.gz BQJXZJMMYHVNLW-JQWIXIFHSA-N 2 0 333.396 -0.333 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)C1 ZINC001218714374 810523253 /nfs/dbraw/zinc/52/32/53/810523253.db2.gz YDFICHFYHVFTAN-KKZNHRDASA-N 2 0 344.393 -0.256 20 30 EBEDRP N#Cc1ccc([C@@H](C(=O)N[C@@H]2COC[C@@H]2[NH3+])N2CC[NH2+]CC2)cc1 ZINC001219720126 810807464 /nfs/dbraw/zinc/80/74/64/810807464.db2.gz GYFNCDGXFUDSNV-XHSDSOJGSA-N 2 0 329.404 -0.653 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@@H]2O)CC1 ZINC001221066468 811359134 /nfs/dbraw/zinc/35/91/34/811359134.db2.gz YWCQOPBLIMQLFD-OIISXLGYSA-N 2 0 337.464 -0.346 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOCC)C[C@@H]2O)CC1 ZINC001221079368 811367948 /nfs/dbraw/zinc/36/79/48/811367948.db2.gz WEOJVRUUZDVOPB-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221410326 811452527 /nfs/dbraw/zinc/45/25/27/811452527.db2.gz QRCHBAQKEJRXPV-FRRDWIJNSA-N 2 0 331.438 -0.803 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225426529 811809134 /nfs/dbraw/zinc/80/91/34/811809134.db2.gz BJIQLURQRJLQDY-GDBMZVCRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001263920272 813134934 /nfs/dbraw/zinc/13/49/34/813134934.db2.gz ZECBZIRYMCXIRW-HZSPNIEDSA-N 2 0 331.420 -0.035 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001266032592 813442790 /nfs/dbraw/zinc/44/27/90/813442790.db2.gz ZWFZFCXXKLOELL-QAPCUYQASA-N 2 0 332.448 -0.340 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266866619 813687982 /nfs/dbraw/zinc/68/79/82/813687982.db2.gz CHRJUGKZYQVYOW-HOTGVXAUSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266981416 813719735 /nfs/dbraw/zinc/71/97/35/813719735.db2.gz JUWNBVIFCHPYCV-KBPBESRZSA-N 2 0 338.452 -0.671 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001267070035 813751117 /nfs/dbraw/zinc/75/11/17/813751117.db2.gz HWEWBCJOVNGMOE-GJZGRUSLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267558587 813929412 /nfs/dbraw/zinc/92/94/12/813929412.db2.gz CAGBQAUPGDUEHR-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001082941117 814028365 /nfs/dbraw/zinc/02/83/65/814028365.db2.gz QJYLVDLVEKAIEJ-HYVNUMGLSA-N 2 0 346.475 -0.001 20 30 EBEDRP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115568 814129797 /nfs/dbraw/zinc/12/97/97/814129797.db2.gz UZTOSZLUHJDNID-AWEZNQCLSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001268674358 814348301 /nfs/dbraw/zinc/34/83/01/814348301.db2.gz RINWNSUAJCLTMQ-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)CC[N@@H+]1C ZINC001269071408 814516228 /nfs/dbraw/zinc/51/62/28/814516228.db2.gz IUOIXPWJJSKELC-RRFJBIMHSA-N 2 0 335.452 -0.159 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001270437059 815778579 /nfs/dbraw/zinc/77/85/79/815778579.db2.gz VNUZINHAXINDGF-OAHLLOKOSA-N 2 0 334.464 -0.046 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001084090407 815826648 /nfs/dbraw/zinc/82/66/48/815826648.db2.gz YSDJFMGLYRYBRW-JQHSSLGASA-N 2 0 349.475 -0.081 20 30 EBEDRP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CN(C)CCO1 ZINC001271253915 816053706 /nfs/dbraw/zinc/05/37/06/816053706.db2.gz JJOXBVKEQJFPTR-ZIAGYGMSSA-N 2 0 339.440 -0.923 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271522155 816133559 /nfs/dbraw/zinc/13/35/59/816133559.db2.gz SXJZCRXLNXGVDW-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CCC1 ZINC001272272940 816379187 /nfs/dbraw/zinc/37/91/87/816379187.db2.gz VSAXXUKYESNNFV-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)CN[C@@H](C)c2nncn2C)CC1 ZINC001272584437 816486265 /nfs/dbraw/zinc/48/62/65/816486265.db2.gz OGYZTUUKHIWILW-DZGCQCFKSA-N 2 0 348.451 -0.712 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC2CC2)CC1 ZINC001275039638 817145604 /nfs/dbraw/zinc/14/56/04/817145604.db2.gz VQHNYMSYVKROKM-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090272101 817213653 /nfs/dbraw/zinc/21/36/53/817213653.db2.gz MEOQJTOTDWBXDD-HOCLYGCPSA-N 2 0 333.436 -0.367 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001278025105 817678179 /nfs/dbraw/zinc/67/81/79/817678179.db2.gz KPAXRYWNXSIOGB-HZPDHXFCSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)NC)C(C)(C)C2)CC1 ZINC001278690096 817793801 /nfs/dbraw/zinc/79/38/01/817793801.db2.gz NPRLZTGKAXYJRU-HNNXBMFYSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684887 817794035 /nfs/dbraw/zinc/79/40/35/817794035.db2.gz NOSDGTIOOMCCEA-KBPBESRZSA-N 2 0 335.452 -0.205 20 30 EBEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001278755001 817810344 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XFKXALAIILHYKV-KRWDZBQOSA-N 2 0 338.452 -0.979 20 30 EBEDRP C#CCCN1CC(N2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094808171 818498465 /nfs/dbraw/zinc/49/84/65/818498465.db2.gz IENLZYBCPYFSOS-LSDHHAIUSA-N 2 0 332.448 -0.247 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001284436224 819231732 /nfs/dbraw/zinc/23/17/32/819231732.db2.gz QVVIPYQUOXHWPD-KBPBESRZSA-N 2 0 326.441 -0.818 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353145 820764297 /nfs/dbraw/zinc/76/42/97/820764297.db2.gz URWSSTZSHQXUQW-DAYGRLMNSA-N 2 0 334.464 -0.144 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982931 820984263 /nfs/dbraw/zinc/98/42/63/820984263.db2.gz SJLJWZNTAOTOCS-KLHDSHLOSA-N 2 0 334.464 -0.240 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102286903 821059112 /nfs/dbraw/zinc/05/91/12/821059112.db2.gz CGKIPFISPYVKON-ZIAGYGMSSA-N 2 0 335.452 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ZINC001158576261 831666926 /nfs/dbraw/zinc/66/69/26/831666926.db2.gz AXWBTLIRGHCUMB-USZNOCQGSA-N 2 0 349.428 -0.772 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253497 832208874 /nfs/dbraw/zinc/20/88/74/832208874.db2.gz HCBXJFIQVUKAQK-UHFFFAOYSA-N 2 0 339.440 -0.564 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165379514 832218466 /nfs/dbraw/zinc/21/84/66/832218466.db2.gz YUIPRXWMOIHFSN-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166633123 832274840 /nfs/dbraw/zinc/27/48/40/832274840.db2.gz ADZDAVTWJBPELT-ZDUSSCGKSA-N 2 0 339.440 -0.422 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166667625 832277831 /nfs/dbraw/zinc/27/78/31/832277831.db2.gz FMIOPUMUYWIVEM-CYBMUJFWSA-N 2 0 339.440 -0.564 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160389 832660092 /nfs/dbraw/zinc/66/00/92/832660092.db2.gz CXLJJJRJVAZNEB-CABCVRRESA-N 2 0 338.452 -0.812 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001176930928 832712698 /nfs/dbraw/zinc/71/26/98/832712698.db2.gz SSJXSIICLBFAJO-QGZVFWFLSA-N 2 0 347.463 -0.315 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122513 833904318 /nfs/dbraw/zinc/90/43/18/833904318.db2.gz VLVKLAGLLFRARR-CYBMUJFWSA-N 2 0 349.435 -0.716 20 30 EBEDRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187135590 833905724 /nfs/dbraw/zinc/90/57/24/833905724.db2.gz WFTUTGKRGVMOOK-GFCCVEGCSA-N 2 0 330.392 -0.409 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193498555 834891517 /nfs/dbraw/zinc/89/15/17/834891517.db2.gz FMJCTXGZEFVJLN-GJZGRUSLSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2O)CC1 ZINC001199030783 835752533 /nfs/dbraw/zinc/75/25/33/835752533.db2.gz YWCQOPBLIMQLFD-USXIJHARSA-N 2 0 337.464 -0.346 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200592684 835993367 /nfs/dbraw/zinc/99/33/67/835993367.db2.gz HCKZQLIGEYCKOR-OAHLLOKOSA-N 2 0 333.436 -0.451 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606592 835995458 /nfs/dbraw/zinc/99/54/58/835995458.db2.gz QXJFWMOTQZPOSM-MRXNPFEDSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200795604 836034865 /nfs/dbraw/zinc/03/48/65/836034865.db2.gz LRHJDMSFQOQGJM-LSDHHAIUSA-N 2 0 338.452 -0.717 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001200850449 836047257 /nfs/dbraw/zinc/04/72/57/836047257.db2.gz KWLGURYFKBXKEA-AWEZNQCLSA-N 2 0 341.431 -0.113 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201317266 836128598 /nfs/dbraw/zinc/12/85/98/836128598.db2.gz HIDMPBCEVYTJFH-GJZGRUSLSA-N 2 0 340.468 -0.164 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048518 836240769 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C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813495 839718639 /nfs/dbraw/zinc/71/86/39/839718639.db2.gz OAOBPUXVOPTXFB-PBHICJAKSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001330318200 841162286 /nfs/dbraw/zinc/16/22/86/841162286.db2.gz KKWMKGYVHMJLHZ-PHZGNYQRSA-N 2 0 346.475 -0.096 20 30 EBEDRP C=CCO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001331056726 841325224 /nfs/dbraw/zinc/32/52/24/841325224.db2.gz NNJVYJUESPXFDT-HNNXBMFYSA-N 2 0 340.468 -0.258 20 30 EBEDRP OC[C@H]([NH2+]CC#CC[NH2+][C@H](CO)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC001331379193 841399828 /nfs/dbraw/zinc/39/98/28/841399828.db2.gz GVQCJESSCCRSMS-TVFCKZIOSA-N 2 0 340.464 -0.256 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2cccnc2)CC1 ZINC001331843457 841518278 /nfs/dbraw/zinc/51/82/78/841518278.db2.gz VOMGWURFMKTHNM-KRWDZBQOSA-N 2 0 330.432 -0.007 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001332028014 841553612 /nfs/dbraw/zinc/55/36/12/841553612.db2.gz NMDPWVQIXHPJDZ-CHWSQXEVSA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001332115436 841576919 /nfs/dbraw/zinc/57/69/19/841576919.db2.gz DBAOYWLGYFHELD-RVKKMQEKSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)OC)CC1 ZINC001332605989 841688153 /nfs/dbraw/zinc/68/81/53/841688153.db2.gz MKROBBUWRGKDGZ-GOEBONIOSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001691570735 1126321954 /nfs/dbraw/zinc/32/19/54/1126321954.db2.gz QKQUGXODWXAGMZ-SJORKVTESA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001483958713 1126492440 /nfs/dbraw/zinc/49/24/40/1126492440.db2.gz KMPAHTYNVRWUPI-INIZCTEOSA-N 2 0 345.447 -0.448 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001485648813 1126776941 /nfs/dbraw/zinc/77/69/41/1126776941.db2.gz CESZEXBCQBPDFO-GJZGRUSLSA-N 2 0 338.452 -0.719 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485643913 1126786624 /nfs/dbraw/zinc/78/66/24/1126786624.db2.gz MRIIBZZKMFLLCI-GJZGRUSLSA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001485668736 1126794037 /nfs/dbraw/zinc/79/40/37/1126794037.db2.gz DLOFYNOKYGCMBM-HDICACEKSA-N 2 0 334.464 -0.142 20 30 EBEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001486307502 1127112412 /nfs/dbraw/zinc/11/24/12/1127112412.db2.gz DHDOYXMXDWMWEZ-HNNXBMFYSA-N 2 0 341.452 -0.844 20 30 EBEDRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1cnc(C#N)n1 ZINC001363147741 1131803906 /nfs/dbraw/zinc/80/39/06/1131803906.db2.gz CELIRPXAQUJDJB-BFHYXJOUSA-N 2 0 333.440 -0.091 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000491732275 379621676 /nfs/dbraw/zinc/62/16/76/379621676.db2.gz HKQOMXWOAWCEMX-OAHLLOKOSA-N 2 0 337.468 -0.172 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000343894318 381015980 /nfs/dbraw/zinc/01/59/80/381015980.db2.gz RNBKJAPRWXMLIX-UHFFFAOYSA-N 2 0 340.468 -0.163 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000672355931 546092172 /nfs/dbraw/zinc/09/21/72/546092172.db2.gz DISZSZNQWBKSKL-DZGCQCFKSA-N 2 0 338.452 -0.412 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCC(C(=O)OC)CC1 ZINC000088702618 649971685 /nfs/dbraw/zinc/97/16/85/649971685.db2.gz SNRSUUVPDHIRPP-AWEZNQCLSA-N 2 0 325.457 -0.307 20 30 EBEDRP CCOC(=O)[C@@H]1CCCN(C(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)C1 ZINC000261980632 649985938 /nfs/dbraw/zinc/98/59/38/649985938.db2.gz OTTWHCKADGSROF-HUUCEWRRSA-N 2 0 337.468 -0.163 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)CC(=O)NC(C)(C)C ZINC000262814001 649988187 /nfs/dbraw/zinc/98/81/87/649988187.db2.gz UZJYUBQSYORPFE-ZDUSSCGKSA-N 2 0 326.489 -0.346 20 30 EBEDRP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CC[NH+](C)CC1 ZINC000303990127 649993145 /nfs/dbraw/zinc/99/31/45/649993145.db2.gz YHRWPQMPYNZMDY-HNNXBMFYSA-N 2 0 326.489 -0.751 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NCCN1CCC([NH+](C)C)CC1 ZINC000304725748 649993630 /nfs/dbraw/zinc/99/36/30/649993630.db2.gz PRNZNBRFAVHXRS-UHFFFAOYSA-N 2 0 340.516 -0.490 20 30 EBEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000304673796 649993678 /nfs/dbraw/zinc/99/36/78/649993678.db2.gz CONCABAJGBJYPV-UHFFFAOYSA-N 2 0 340.516 -0.361 20 30 EBEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958077193 722301680 /nfs/dbraw/zinc/30/16/80/722301680.db2.gz RHYLRLXITVDJHO-GDBMZVCRSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468487 722371671 /nfs/dbraw/zinc/37/16/71/722371671.db2.gz YKTHISCVORQICN-HOCLYGCPSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970792156 725328786 /nfs/dbraw/zinc/32/87/86/725328786.db2.gz GGZZURZFVBPANI-CABCVRRESA-N 2 0 346.431 -0.673 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(CC(N)=O)CC3)CC1 ZINC000992508178 725805606 /nfs/dbraw/zinc/80/56/06/725805606.db2.gz LLTFRBMKKQRBPO-QAPCUYQASA-N 2 0 332.448 -0.070 20 30 EBEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001026145743 730125114 /nfs/dbraw/zinc/12/51/14/730125114.db2.gz CIDWOHBXMYRKTE-AALSBFMBSA-N 2 0 332.448 -0.229 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001029003590 730382812 /nfs/dbraw/zinc/38/28/12/730382812.db2.gz NXXLHVWSNXLZQA-HOCLYGCPSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001045321217 733668286 /nfs/dbraw/zinc/66/82/86/733668286.db2.gz HFUSPZCTWXDATC-JKSUJKDBSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@@H]3C2)CC1 ZINC001049235171 734695014 /nfs/dbraw/zinc/69/50/14/734695014.db2.gz LLHAJLOCJIJSOB-IXDOHACOSA-N 2 0 346.475 -0.014 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)CC1 ZINC001073898770 741781259 /nfs/dbraw/zinc/78/12/59/741781259.db2.gz BNDQEQAHKGITRA-KRWDZBQOSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC000979085180 805126740 /nfs/dbraw/zinc/12/67/40/805126740.db2.gz FLIPJQFXTUHGMI-NXOAAHMSSA-N 2 0 344.459 -0.486 20 30 EBEDRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215299161 810321981 /nfs/dbraw/zinc/32/19/81/810321981.db2.gz ZLHHJUHLZOTATG-ZIAGYGMSSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C2)CC1 ZINC001216837328 810394484 /nfs/dbraw/zinc/39/44/84/810394484.db2.gz BJHAAOWXIZAXRX-HYVNUMGLSA-N 2 0 337.464 -0.225 20 30 EBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856642 810880670 /nfs/dbraw/zinc/88/06/70/810880670.db2.gz VXEVMGDDNAMMSD-BPKGMFCQSA-N 2 0 326.400 -0.036 20 30 EBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519375 811135781 /nfs/dbraw/zinc/13/57/81/811135781.db2.gz LZEAWARPOBXBAA-SJORKVTESA-N 2 0 346.431 -0.031 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001221248501 811426710 /nfs/dbraw/zinc/42/67/10/811426710.db2.gz YZHGKCNKDGDFMO-VNHYZAJKSA-N 2 0 345.465 -0.268 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224558554 811765520 /nfs/dbraw/zinc/76/55/20/811765520.db2.gz HLJCLXQSONLQTA-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCOC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001251840745 812635666 /nfs/dbraw/zinc/63/56/66/812635666.db2.gz UOEKSRABGPNNPO-KRWDZBQOSA-N 2 0 347.459 -0.179 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265496210 813331983 /nfs/dbraw/zinc/33/19/83/813331983.db2.gz PLNMEJJSJPADPI-AVGNSLFASA-N 2 0 339.440 -0.425 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C[C@@H](O)COC)CC1 ZINC001266494914 813584328 /nfs/dbraw/zinc/58/43/28/813584328.db2.gz CNLRRDRJXLROCE-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266593323 813617318 /nfs/dbraw/zinc/61/73/18/813617318.db2.gz FBMKFWHBQHVUIQ-QCEMKRCNSA-N 2 0 332.448 -0.297 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267081046 813754633 /nfs/dbraw/zinc/75/46/33/813754633.db2.gz AUYKJLBXLKIHKA-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267222384 813792828 /nfs/dbraw/zinc/79/28/28/813792828.db2.gz MEBONHPAQXIBDG-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCN2CCNC2=O)CC1 ZINC001267257076 813807897 /nfs/dbraw/zinc/80/78/97/813807897.db2.gz NLNKRIZTTFUHJW-UHFFFAOYSA-N 2 0 349.479 -0.205 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267530932 813922428 /nfs/dbraw/zinc/92/24/28/813922428.db2.gz HXOGRMUAJHYAHP-ZBFHGGJFSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001267605550 813949770 /nfs/dbraw/zinc/94/97/70/813949770.db2.gz XBSCMLVXWCANES-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286918 814172137 /nfs/dbraw/zinc/17/21/37/814172137.db2.gz NBBQTSPZVWHSLT-HZPDHXFCSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654736 814664976 /nfs/dbraw/zinc/66/49/76/814664976.db2.gz DLUQLUJOVRNHBY-OWQJAQGESA-N 2 0 335.448 -0.023 20 30 EBEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001271424115 816102713 /nfs/dbraw/zinc/10/27/13/816102713.db2.gz BFLNWGCYERUZJY-HIFRSBDPSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271518855 816132358 /nfs/dbraw/zinc/13/23/58/816132358.db2.gz IOEFGIFUITYOHA-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001272512934 816452328 /nfs/dbraw/zinc/45/23/28/816452328.db2.gz MFVZGYBRZNDAOJ-TZMCWYRMSA-N 2 0 326.441 -0.914 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001273495706 816684789 /nfs/dbraw/zinc/68/47/89/816684789.db2.gz HXEIZRVVRWJRNG-LSDHHAIUSA-N 2 0 340.468 -0.212 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001273495705 816684951 /nfs/dbraw/zinc/68/49/51/816684951.db2.gz HXEIZRVVRWJRNG-HUUCEWRRSA-N 2 0 340.468 -0.212 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)CC1 ZINC001274020453 816841719 /nfs/dbraw/zinc/84/17/19/816841719.db2.gz BHOKISGWQSSQSM-UHFFFAOYSA-N 2 0 336.436 -0.928 20 30 EBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001274843075 817094834 /nfs/dbraw/zinc/09/48/34/817094834.db2.gz HRJGZWQXVIWHAS-GFCCVEGCSA-N 2 0 341.375 -0.385 20 30 EBEDRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001275422160 817214015 /nfs/dbraw/zinc/21/40/15/817214015.db2.gz AZOLSNYTIIYPEP-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@H]2CCNC2=O)C2CC2)CC1 ZINC001276712732 817457907 /nfs/dbraw/zinc/45/79/07/817457907.db2.gz ZJSDHKSKMKPARO-JKSUJKDBSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001276983003 817505262 /nfs/dbraw/zinc/50/52/62/817505262.db2.gz AXACQWVHCBAFJB-NXNVCVFFSA-N 2 0 346.475 -0.050 20 30 EBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090635937 817601416 /nfs/dbraw/zinc/60/14/16/817601416.db2.gz AEHVUGRAVIOECC-HZPDHXFCSA-N 2 0 333.436 -0.367 20 30 EBEDRP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@H]2C1 ZINC001277943568 817660028 /nfs/dbraw/zinc/66/00/28/817660028.db2.gz YYSIUXFERFNKGP-GJZGRUSLSA-N 2 0 347.463 -0.109 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001278139472 817707825 /nfs/dbraw/zinc/70/78/25/817707825.db2.gz SNGYGTDOXWEJGK-IHRRRGAJSA-N 2 0 326.441 -0.914 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278594922 817784014 /nfs/dbraw/zinc/78/40/14/817784014.db2.gz QGRIAMDSNIXFLA-DZGCQCFKSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001282627775 818469170 /nfs/dbraw/zinc/46/91/70/818469170.db2.gz XIMMUQJRVOXCEB-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929044 818534580 /nfs/dbraw/zinc/53/45/80/818534580.db2.gz NTZRORWTXILGKG-ZIAGYGMSSA-N 2 0 339.440 -0.827 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321662 819184047 /nfs/dbraw/zinc/18/40/47/819184047.db2.gz CDYSJISQTOAXBV-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001098434128 819185530 /nfs/dbraw/zinc/18/55/30/819185530.db2.gz NICZGZHHEGXSNR-URSIVYNOSA-N 2 0 347.459 -0.232 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100335323 820364582 /nfs/dbraw/zinc/36/45/82/820364582.db2.gz VBKXDJNBVFTZAZ-BCLQGDPASA-N 2 0 332.448 -0.438 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637089 820496303 /nfs/dbraw/zinc/49/63/03/820496303.db2.gz AZZSTNJLJGSMSN-UHFFFAOYSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100732057 820526858 /nfs/dbraw/zinc/52/68/58/820526858.db2.gz RNKIFMJBBFQVDY-UHFFFAOYSA-N 2 0 334.464 -0.048 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033185 820658351 /nfs/dbraw/zinc/65/83/51/820658351.db2.gz GPKRYDUUVPYMRN-UHFFFAOYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)CC[NH+]1C ZINC001101982894 820983948 /nfs/dbraw/zinc/98/39/48/820983948.db2.gz QISHTMRBVNTRGW-KBUPBQIOSA-N 2 0 335.452 -0.350 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370058 821081425 /nfs/dbraw/zinc/08/14/25/821081425.db2.gz PJQCKHJYERFZFM-BZUAXINKSA-N 2 0 334.464 -0.238 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722377 821344712 /nfs/dbraw/zinc/34/47/12/821344712.db2.gz KSNXIPMVFMORSW-HUUCEWRRSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326907 821694694 /nfs/dbraw/zinc/69/46/94/821694694.db2.gz LHNVVBHEKKGDEW-XJKSGUPXSA-N 2 0 330.436 -0.028 20 30 EBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317294897 822071762 /nfs/dbraw/zinc/07/17/62/822071762.db2.gz APCVWKODLJJAQK-HOTGVXAUSA-N 2 0 334.464 -0.094 20 30 EBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001317299644 822073360 /nfs/dbraw/zinc/07/33/60/822073360.db2.gz IZOOBOGUYLEINM-HNNXBMFYSA-N 2 0 333.436 -0.101 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106666570 822308140 /nfs/dbraw/zinc/30/81/40/822308140.db2.gz PCGLTQUPVJQVGS-RBSFLKMASA-N 2 0 335.452 -0.348 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001318655362 822348023 /nfs/dbraw/zinc/34/80/23/822348023.db2.gz ZDGPWOGIDRDDRE-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683867 828656049 /nfs/dbraw/zinc/65/60/49/828656049.db2.gz BQYZNVRIXOYZKF-PMPSAXMXSA-N 2 0 346.435 -0.636 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001129770458 828666244 /nfs/dbraw/zinc/66/62/44/828666244.db2.gz GKOJACAIJMUMEZ-NSHDSACASA-N 2 0 336.421 -0.720 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129879218 828686281 /nfs/dbraw/zinc/68/62/81/828686281.db2.gz XSDVQAPPTHSKJS-ZNMIVQPWSA-N 2 0 336.415 -0.067 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086173 828729903 /nfs/dbraw/zinc/72/99/03/828729903.db2.gz OKWAUQHKWCPARR-OAGGEKHMSA-N 2 0 330.436 -0.015 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231975 828761416 /nfs/dbraw/zinc/76/14/16/828761416.db2.gz MSENRNRTPNKJIK-AWEZNQCLSA-N 2 0 340.468 -0.259 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421949 828827914 /nfs/dbraw/zinc/82/79/14/828827914.db2.gz QKZMTHKWQQTOJV-LBPRGKRZSA-N 2 0 341.456 -0.177 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCCCC2)C1 ZINC001120129122 827175814 /nfs/dbraw/zinc/17/58/14/827175814.db2.gz DJZNSLDERSUNNR-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183977159 833315323 /nfs/dbraw/zinc/31/53/23/833315323.db2.gz FJZPXTIFXULFAZ-CYBMUJFWSA-N 2 0 326.360 -0.222 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551585 833333251 /nfs/dbraw/zinc/33/32/51/833333251.db2.gz QXSFQSZQRZKFKS-ZBFHGGJFSA-N 2 0 333.436 -0.309 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185501521 833360484 /nfs/dbraw/zinc/36/04/84/833360484.db2.gz GDKVMUGYFNRRJK-CABCVRRESA-N 2 0 347.463 -0.204 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051717 829578920 /nfs/dbraw/zinc/57/89/20/829578920.db2.gz MFZBQCFQGHIMPD-LBPRGKRZSA-N 2 0 327.429 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833971 829681140 /nfs/dbraw/zinc/68/11/40/829681140.db2.gz KWISKDULUSBGLW-QWHCGFSZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001143915673 830156854 /nfs/dbraw/zinc/15/68/54/830156854.db2.gz HTZIONGLKJSYQE-RDUHTLEXSA-N 2 0 341.452 -0.085 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147225699 830304017 /nfs/dbraw/zinc/30/40/17/830304017.db2.gz SWMBDGIXFLPSPH-GJZGRUSLSA-N 2 0 332.448 -0.247 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822110 831433827 /nfs/dbraw/zinc/43/38/27/831433827.db2.gz ITRRYCVXSZSCPH-OLZOCXBDSA-N 2 0 339.440 -0.423 20 30 EBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162316793 832033402 /nfs/dbraw/zinc/03/34/02/832033402.db2.gz NTTSNVXOZDAVDE-UHFFFAOYSA-N 2 0 341.375 -0.383 20 30 EBEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167235861 832319304 /nfs/dbraw/zinc/31/93/04/832319304.db2.gz BCLDAVPCLRRJIX-UONOGXRCSA-N 2 0 335.452 -0.300 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171219174 832552540 /nfs/dbraw/zinc/55/25/40/832552540.db2.gz UXPQMUFEHVNAJA-ZDUSSCGKSA-N 2 0 339.440 -0.564 20 30 EBEDRP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001188561373 834062929 /nfs/dbraw/zinc/06/29/29/834062929.db2.gz BYCZJAKVSCMVBR-LSDHHAIUSA-N 2 0 329.404 -0.526 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H](O)COC)CC2)CC1 ZINC001198236687 835656884 /nfs/dbraw/zinc/65/68/84/835656884.db2.gz UMTUOIUHFVLGGX-QGZVFWFLSA-N 2 0 337.464 -0.127 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200592683 835993072 /nfs/dbraw/zinc/99/30/72/835993072.db2.gz HCKZQLIGEYCKOR-HNNXBMFYSA-N 2 0 333.436 -0.451 20 30 EBEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203512816 836440304 /nfs/dbraw/zinc/44/03/04/836440304.db2.gz DAQUZNXXASMZGZ-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794208 836477952 /nfs/dbraw/zinc/47/79/52/836477952.db2.gz VNJHVOSZUUHQAC-KGLIPLIRSA-N 2 0 335.452 -0.017 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206274998 836634839 /nfs/dbraw/zinc/63/48/39/836634839.db2.gz NSUQEDBCIWXKPW-AWEZNQCLSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281116 836635076 /nfs/dbraw/zinc/63/50/76/836635076.db2.gz BHXXLYOHNZIFBR-GDBMZVCRSA-N 2 0 334.464 -0.238 20 30 EBEDRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210690684 837320566 /nfs/dbraw/zinc/32/05/66/837320566.db2.gz NFZLTKQQMNRNAC-CYBMUJFWSA-N 2 0 344.419 -0.018 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)CC1 ZINC001320314655 838754874 /nfs/dbraw/zinc/75/48/74/838754874.db2.gz FKALRFPUQOHQHV-QGZVFWFLSA-N 2 0 330.432 -0.007 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001323065965 839339704 /nfs/dbraw/zinc/33/97/04/839339704.db2.gz LIKUMBREDZTHCH-BPUTZDHNSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)CC1 ZINC001326898755 840231990 /nfs/dbraw/zinc/23/19/90/840231990.db2.gz HRMZKIBNDBCNPZ-UHFFFAOYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001326988668 840260192 /nfs/dbraw/zinc/26/01/92/840260192.db2.gz OWYSTURURNMURY-HNNXBMFYSA-N 2 0 336.436 -0.963 20 30 EBEDRP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001327593682 840468264 /nfs/dbraw/zinc/46/82/64/840468264.db2.gz YZYNLWQIRCKUPR-AEFFLSMTSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCOCCO)[C@@H](C)C2)CC1 ZINC001327960630 840558883 /nfs/dbraw/zinc/55/88/83/840558883.db2.gz XBGSKBHZJNZJAN-RDJZCZTQSA-N 2 0 337.464 -0.223 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001327960632 840559281 /nfs/dbraw/zinc/55/92/81/840559281.db2.gz XBGSKBHZJNZJAN-WBVHZDCISA-N 2 0 337.464 -0.223 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001328199281 840618878 /nfs/dbraw/zinc/61/88/78/840618878.db2.gz RWHYDXHKULWKPW-CQSZACIVSA-N 2 0 340.468 -0.428 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001330328867 841165896 /nfs/dbraw/zinc/16/58/96/841165896.db2.gz PUTMTDAADJGMQH-FPCVCCKLSA-N 2 0 334.464 -0.240 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001331842909 841518400 /nfs/dbraw/zinc/51/84/00/841518400.db2.gz RPINAXWCSBFPKY-SJORKVTESA-N 2 0 337.464 -0.033 20 30 EBEDRP C#CCN(C(=O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)C1CC[NH+](C)CC1 ZINC001336509614 842476689 /nfs/dbraw/zinc/47/66/89/842476689.db2.gz JXKDCNBOPYVDNV-ZBFHGGJFSA-N 2 0 332.448 -0.295 20 30 EBEDRP CC(C)(C(=O)NC[C@@H]1CCN(CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001691151681 1125838641 /nfs/dbraw/zinc/83/86/41/1125838641.db2.gz QMGXNGHIMORVCS-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691476822 1125884199 /nfs/dbraw/zinc/88/41/99/1125884199.db2.gz RJIFEMNRWHBAFJ-MRXNPFEDSA-N 2 0 341.431 -0.113 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCN2CC[NH+](CCO)CC2)CC1 ZINC001691947027 1125900758 /nfs/dbraw/zinc/90/07/58/1125900758.db2.gz WSGOEPSFKURXAR-UHFFFAOYSA-N 2 0 336.480 -0.600 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481117642 1125925483 /nfs/dbraw/zinc/92/54/83/1125925483.db2.gz CJOWEYXPIXWSCX-HUUCEWRRSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC001482797531 1126294181 /nfs/dbraw/zinc/29/41/81/1126294181.db2.gz ATHQELKQLSASGQ-WBVHZDCISA-N 2 0 337.464 -0.175 20 30 EBEDRP Cc1c(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)ccc2c[nH+]cn21 ZINC001483142673 1126345979 /nfs/dbraw/zinc/34/59/79/1126345979.db2.gz GNNGTYGDUHXBDI-LLVKDONJSA-N 2 0 328.376 -0.010 20 30 EBEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238571 1126536469 /nfs/dbraw/zinc/53/64/69/1126536469.db2.gz JGVPMQNWGTXNKQ-WMLDXEAASA-N 2 0 338.452 -0.722 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCN2CCNC2=O)CC1 ZINC001485002708 1126662170 /nfs/dbraw/zinc/66/21/70/1126662170.db2.gz PUCRVHXDCDDTAW-HNNXBMFYSA-N 2 0 349.479 -0.159 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001485706619 1126803180 /nfs/dbraw/zinc/80/31/80/1126803180.db2.gz KYKMNVRCAOOBBY-SHTZXODSSA-N 2 0 335.452 -0.013 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001490857719 1129686954 /nfs/dbraw/zinc/68/69/54/1129686954.db2.gz WKMGPSGIIVQKKM-GJZGRUSLSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691742695 1129715275 /nfs/dbraw/zinc/71/52/75/1129715275.db2.gz HAZLPFPVHFMXGQ-XUWVNRHRSA-N 2 0 334.464 -0.050 20 30 EBEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001490935918 1130268056 /nfs/dbraw/zinc/26/80/56/1130268056.db2.gz XTXOEJSBWMFRJM-WKILWMFISA-N 2 0 333.436 -0.055 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264631 1130378121 /nfs/dbraw/zinc/37/81/21/1130378121.db2.gz UEIIPCNFOBIJDH-LSDHHAIUSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)[NH2+]CC(=O)NCC#N ZINC001491524446 1130482504 /nfs/dbraw/zinc/48/25/04/1130482504.db2.gz VYSFNRIBULTZJK-GFCCVEGCSA-N 2 0 341.375 -0.385 20 30 EBEDRP C=CCNC(=O)NC(=O)CN(C)CCNC(=O)Cn1cncc1C ZINC001492342137 1130652551 /nfs/dbraw/zinc/65/25/51/1130652551.db2.gz KOZWJZJQFCBAMK-UHFFFAOYSA-N 2 0 336.396 -0.749 20 30 EBEDRP C[NH+](C)CCOCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568873465 378442159 /nfs/dbraw/zinc/44/21/59/378442159.db2.gz YWNDRRBUFBBUGQ-UHFFFAOYSA-N 2 0 326.422 -0.105 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280043901 379969750 /nfs/dbraw/zinc/96/97/50/379969750.db2.gz RANYTWVTDLKBNO-CHWSQXEVSA-N 2 0 347.467 -0.067 20 30 EBEDRP C[NH+](CC#CC[N@H+](C)CCN1CCOCC1)CCN1CCOCC1 ZINC000341895999 380745257 /nfs/dbraw/zinc/74/52/57/380745257.db2.gz NGBMBHVYLQFAGQ-UHFFFAOYSA-N 2 0 338.496 -0.482 20 30 EBEDRP CO[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](OC)C[C@]2(C)CO)[C@@](C)(CO)C1 ZINC000639999170 381174663 /nfs/dbraw/zinc/17/46/63/381174663.db2.gz ITBYHWZPRBEVEX-XMTFNYHQSA-N 2 0 340.464 -0.067 20 30 EBEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000329426409 381597993 /nfs/dbraw/zinc/59/79/93/381597993.db2.gz IWHXIWRBAXIVAM-CABCVRRESA-N 2 0 327.473 -0.465 20 30 EBEDRP C[C@H](O)CN1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000329426410 381598234 /nfs/dbraw/zinc/59/82/34/381598234.db2.gz IWHXIWRBAXIVAM-GJZGRUSLSA-N 2 0 327.473 -0.465 20 30 EBEDRP C[C@@H]1CC[NH+](CC(=O)NCC#CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000654991818 420847613 /nfs/dbraw/zinc/84/76/13/420847613.db2.gz JTYCPLGQCFBNHA-HZPDHXFCSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891921699 582563406 /nfs/dbraw/zinc/56/34/06/582563406.db2.gz SEVJLRDXIBFWOE-ZNMIVQPWSA-N 2 0 349.435 -0.482 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849108506 584166010 /nfs/dbraw/zinc/16/60/10/584166010.db2.gz VVOIBOGBRYKLOU-UHFFFAOYSA-N 2 0 340.516 -0.490 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852793496 584215787 /nfs/dbraw/zinc/21/57/87/584215787.db2.gz CCEPLBBOPYDNRR-MRXNPFEDSA-N 2 0 332.448 -0.340 20 30 EBEDRP C[NH+]=C(NCCNS(C)(=O)=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000085550585 649972066 /nfs/dbraw/zinc/97/20/66/649972066.db2.gz OTPSJXQMLSNTED-YHWZYXNKSA-N 2 0 331.486 -0.284 20 30 EBEDRP C=C1[C@H](C(=O)NCC#CC[NH+](C)C)[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913523816 650235349 /nfs/dbraw/zinc/23/53/49/650235349.db2.gz NQKZEYGIPHLWKE-HOTGVXAUSA-N 2 0 330.432 -0.849 20 30 EBEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076628 722301349 /nfs/dbraw/zinc/30/13/49/722301349.db2.gz ITMGCBGSJVAQOA-ZBFHGGJFSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NCC(N)=O ZINC000960279550 722813529 /nfs/dbraw/zinc/81/35/29/722813529.db2.gz SMGWLIJKPYSFPG-SOLBZPMBSA-N 2 0 340.427 -0.059 20 30 EBEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]cn2)C1=O ZINC000961893558 723109325 /nfs/dbraw/zinc/10/93/25/723109325.db2.gz BZFSJZJTXJAQIK-CTASWTNQSA-N 2 0 329.404 -0.215 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC000962772325 723321265 /nfs/dbraw/zinc/32/12/65/723321265.db2.gz IKQFJKBDCQNOMH-QXSJWSMHSA-N 2 0 330.432 -0.734 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC000970792677 725328946 /nfs/dbraw/zinc/32/89/46/725328946.db2.gz RLRDWWDTGFQNMO-MRXNPFEDSA-N 2 0 347.463 -0.453 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000992308526 725774237 /nfs/dbraw/zinc/77/42/37/725774237.db2.gz DAQKYNCNRBSYKE-RHSMWYFYSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2N(CC(N)=O)CC3)CC1 ZINC000992508172 725805674 /nfs/dbraw/zinc/80/56/74/725805674.db2.gz LLTFRBMKKQRBPO-MAUKXSAKSA-N 2 0 332.448 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C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001025814002 730095310 /nfs/dbraw/zinc/09/53/10/730095310.db2.gz AFTISLNXXDYEKI-XFIYOXNOSA-N 2 0 330.432 -0.591 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)CC1 ZINC001032207473 730830164 /nfs/dbraw/zinc/83/01/64/730830164.db2.gz SBRDWIPVUYHWGD-UHFFFAOYSA-N 2 0 347.463 -0.595 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001045321216 733668458 /nfs/dbraw/zinc/66/84/58/733668458.db2.gz HFUSPZCTWXDATC-HOTGVXAUSA-N 2 0 332.448 -0.199 20 30 EBEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578882 736392119 /nfs/dbraw/zinc/39/21/19/736392119.db2.gz YWBPWECNZJWYRM-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055631891 736416040 /nfs/dbraw/zinc/41/60/40/736416040.db2.gz MKSQLBLSPRQYRZ-AWEZNQCLSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070226239 740758287 /nfs/dbraw/zinc/75/82/87/740758287.db2.gz WXXQOXJBCPGMBP-CABCVRRESA-N 2 0 328.420 -0.119 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227304 743547012 /nfs/dbraw/zinc/54/70/12/743547012.db2.gz UBXUOERZWWYUHU-KBAYOESNSA-N 2 0 349.475 -0.081 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3cnnn3C)C[C@H]21 ZINC000978287848 804771026 /nfs/dbraw/zinc/77/10/26/804771026.db2.gz ZETAXMBLAQINST-NXOAAHMSSA-N 2 0 342.447 -0.293 20 30 EBEDRP N#Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218505038 810495225 /nfs/dbraw/zinc/49/52/25/810495225.db2.gz XSAQWDCRIAIMKE-STQMWFEESA-N 2 0 345.407 -0.266 20 30 EBEDRP N#Cc1c(NC(=O)[C@H]([NH3+])CCCNC(N)=O)sc2c1CC[NH2+]C2 ZINC001218554868 810503100 /nfs/dbraw/zinc/50/31/00/810503100.db2.gz XAJBOUGGVRQCOC-SNVBAGLBSA-N 2 0 336.421 -0.020 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617100 810772802 /nfs/dbraw/zinc/77/28/02/810772802.db2.gz JBTPOGMZDXMHBI-YQQAZPJKSA-N 2 0 334.395 -0.003 20 30 EBEDRP N#Cc1ccc([C@H](C(=O)N[C@@H]2COC[C@@H]2[NH3+])N2CC[NH2+]CC2)cc1 ZINC001219720123 810808088 /nfs/dbraw/zinc/80/80/88/810808088.db2.gz GYFNCDGXFUDSNV-ARFHVFGLSA-N 2 0 329.404 -0.653 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220162144 811004408 /nfs/dbraw/zinc/00/44/08/811004408.db2.gz IBMPGXVLKQSIIY-CXTNEJHOSA-N 2 0 345.465 -0.268 20 30 EBEDRP COC(=O)c1ccc(C(=N)NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220581891 811164160 /nfs/dbraw/zinc/16/41/60/811164160.db2.gz XGZKXRAJSMSBFL-AWEZNQCLSA-N 2 0 347.419 -0.545 20 30 EBEDRP N#Cc1ccn2ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c2c1 ZINC001236316597 812517227 /nfs/dbraw/zinc/51/72/27/812517227.db2.gz SWRPJISDCIDEFQ-UHFFFAOYSA-N 2 0 343.435 -0.178 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263878075 813133023 /nfs/dbraw/zinc/13/30/23/813133023.db2.gz KRPJUOAGYLTCGJ-VGWMRTNUSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[NH+](C)CCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCC#N ZINC001264032353 813143246 /nfs/dbraw/zinc/14/32/46/813143246.db2.gz KLVDCNYUSNPUMA-JONQDZQNSA-N 2 0 347.463 -0.253 20 30 EBEDRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001264566933 813181360 /nfs/dbraw/zinc/18/13/60/813181360.db2.gz NQEUDHPUDWUKOK-CABCVRRESA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264566698 813181753 /nfs/dbraw/zinc/18/17/53/813181753.db2.gz DYSRBPQHYCBTFW-PMPSAXMXSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001264581488 813182610 /nfs/dbraw/zinc/18/26/10/813182610.db2.gz JQQAWRYSVJEUTQ-CQSZACIVSA-N 2 0 329.404 -0.137 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@H]2CCNC2=O)C2CC2)CC1 ZINC001265382226 813315901 /nfs/dbraw/zinc/31/59/01/813315901.db2.gz KPLZVXXUOKRBHB-JKSUJKDBSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC001268100395 814125286 /nfs/dbraw/zinc/12/52/86/814125286.db2.gz WHPBRPUJBQSOBO-ZBFHGGJFSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115395 814129884 /nfs/dbraw/zinc/12/98/84/814129884.db2.gz SSCZSRMCLLOEDK-OAHLLOKOSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1nnnn1C ZINC001268799162 814389485 /nfs/dbraw/zinc/38/94/85/814389485.db2.gz VPXSDMJNSCRDAA-KGLIPLIRSA-N 2 0 333.440 -0.193 20 30 EBEDRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001269513348 814715227 /nfs/dbraw/zinc/71/52/27/814715227.db2.gz SPVGOTXXRGFOLY-UHFFFAOYSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC(=O)NCC#N)CC1 ZINC001269516070 814716741 /nfs/dbraw/zinc/71/67/41/814716741.db2.gz LIXWPUKXAVPFFQ-HNNXBMFYSA-N 2 0 333.436 -0.544 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001269615817 814746705 /nfs/dbraw/zinc/74/67/05/814746705.db2.gz ZSSFFWRHYGYRLU-APWZRJJASA-N 2 0 346.475 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001270602151 815825470 /nfs/dbraw/zinc/82/54/70/815825470.db2.gz CLXUOPOPLFTDHC-GOEBONIOSA-N 2 0 334.464 -0.048 20 30 EBEDRP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC001271253912 816053394 /nfs/dbraw/zinc/05/33/94/816053394.db2.gz JJOXBVKEQJFPTR-KGLIPLIRSA-N 2 0 339.440 -0.923 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001271426503 816103738 /nfs/dbraw/zinc/10/37/38/816103738.db2.gz MGFJZTDAJLAYKL-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CCC1 ZINC001272272938 816379147 /nfs/dbraw/zinc/37/91/47/816379147.db2.gz VSAXXUKYESNNFV-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](C[C@H](O)COC)C[C@H]32)CC1 ZINC001276751574 817467276 /nfs/dbraw/zinc/46/72/76/817467276.db2.gz UCKPKUZFYOPECZ-XLAORIBOSA-N 2 0 349.475 -0.367 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001276983004 817505607 /nfs/dbraw/zinc/50/56/07/817505607.db2.gz AXACQWVHCBAFJB-OTRWWLKZSA-N 2 0 346.475 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001278684931 817794086 /nfs/dbraw/zinc/79/40/86/817794086.db2.gz OOPCTTDDIGOPER-AWEZNQCLSA-N 2 0 332.448 -0.342 20 30 EBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001278718186 817797161 /nfs/dbraw/zinc/79/71/61/817797161.db2.gz ISELFFWHGXKOKY-CQSZACIVSA-N 2 0 338.452 -0.362 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)COC)CC1 ZINC001278839376 817859198 /nfs/dbraw/zinc/85/91/98/817859198.db2.gz POJSJDVLVPJSPR-GOEBONIOSA-N 2 0 325.453 -0.225 20 30 EBEDRP C[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001279007359 817900682 /nfs/dbraw/zinc/90/06/82/817900682.db2.gz YSLUKDZWHMDSLK-KBPBESRZSA-N 2 0 335.452 -0.063 20 30 EBEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279416444 817929166 /nfs/dbraw/zinc/92/91/66/817929166.db2.gz SEUAKVMTQHRWFD-GEEKYZPCSA-N 2 0 347.463 -0.111 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001281193010 818071708 /nfs/dbraw/zinc/07/17/08/818071708.db2.gz PPGZRPHMVKKWJT-KRWDZBQOSA-N 2 0 338.452 -0.981 20 30 EBEDRP C#CC[NH2+]CC1(NC(=O)c2cnn(CC[NH+](C)C)c2)CCOCC1 ZINC001281279985 818133207 /nfs/dbraw/zinc/13/32/07/818133207.db2.gz JXZVQKNYPRPOLU-UHFFFAOYSA-N 2 0 333.436 -0.054 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001281626378 818236609 /nfs/dbraw/zinc/23/66/09/818236609.db2.gz DHWOXLCUMRYQQQ-UHFFFAOYSA-N 2 0 337.464 -0.079 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001281702900 818265668 /nfs/dbraw/zinc/26/56/68/818265668.db2.gz ZDOHABSXNLSWHV-QWHCGFSZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001281702901 818266205 /nfs/dbraw/zinc/26/62/05/818266205.db2.gz ZDOHABSXNLSWHV-STQMWFEESA-N 2 0 339.440 -0.423 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001283063236 818620880 /nfs/dbraw/zinc/62/08/80/818620880.db2.gz VZEUFUFUVAEWLM-HDJSIYSDSA-N 2 0 333.436 -0.261 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001283078171 818632036 /nfs/dbraw/zinc/63/20/36/818632036.db2.gz OVHBBAKZBYXQJQ-WKILWMFISA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099893095 819848056 /nfs/dbraw/zinc/84/80/56/819848056.db2.gz UMEUKVMEKKENIL-HZPDHXFCSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100378281 820386115 /nfs/dbraw/zinc/38/61/15/820386115.db2.gz UZQOMWAAGKKNSX-NRXISQOPSA-N 2 0 340.443 -0.100 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243564 820734500 /nfs/dbraw/zinc/73/45/00/820734500.db2.gz MWMVYEOPEYUETM-NNFUDEMPSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579409 821161015 /nfs/dbraw/zinc/16/10/15/821161015.db2.gz WFIKGZKDNDFVFV-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103719181 821344332 /nfs/dbraw/zinc/34/43/32/821344332.db2.gz UAQMZCCCXGKAQP-OAGGEKHMSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647165 821337965 /nfs/dbraw/zinc/33/79/65/821337965.db2.gz XDAAALKHPGKUHX-HZPDHXFCSA-N 2 0 346.475 -0.094 20 30 EBEDRP COCC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001316745668 821842939 /nfs/dbraw/zinc/84/29/39/821842939.db2.gz IOECSCVWAUEHRQ-MRXNPFEDSA-N 2 0 325.453 -0.127 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001317186500 822030528 /nfs/dbraw/zinc/03/05/28/822030528.db2.gz QSZKBIFLIJUEKJ-QLFBSQMISA-N 2 0 335.452 -0.063 20 30 EBEDRP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC(=O)NCC#N ZINC001317276383 822057649 /nfs/dbraw/zinc/05/76/49/822057649.db2.gz PMLNHYDYRBTVSG-CYBMUJFWSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)CC[N@@H+]1C ZINC001106148061 822192131 /nfs/dbraw/zinc/19/21/31/822192131.db2.gz FPHHOMYJOKYFGI-KBUPBQIOSA-N 2 0 335.452 -0.350 20 30 EBEDRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)[NH+](C)C ZINC001106635297 822304313 /nfs/dbraw/zinc/30/43/13/822304313.db2.gz XAXDXKRQVORMHB-IIAWOOMASA-N 2 0 337.468 -0.104 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364570 828606326 /nfs/dbraw/zinc/60/63/26/828606326.db2.gz XDKXWKXHPCMQKX-GFCCVEGCSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433677 828618999 /nfs/dbraw/zinc/61/89/99/828618999.db2.gz LOBBOARJRUOQJS-XHSDSOJGSA-N 2 0 348.451 -0.226 20 30 EBEDRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910390 828692358 /nfs/dbraw/zinc/69/23/58/828692358.db2.gz QSDPKGJXZQEQHK-OAGGEKHMSA-N 2 0 348.451 -0.390 20 30 EBEDRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001111321426 825056483 /nfs/dbraw/zinc/05/64/83/825056483.db2.gz NINYPWDLSFSFFG-UHFFFAOYSA-N 2 0 345.451 -0.286 20 30 EBEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123297 828736296 /nfs/dbraw/zinc/73/62/96/828736296.db2.gz MUSWUZPBQPOTFJ-OAGGEKHMSA-N 2 0 348.451 -0.226 20 30 EBEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086115 828729552 /nfs/dbraw/zinc/72/95/52/828729552.db2.gz MBIFACBSGVNBJD-CABCVRRESA-N 2 0 336.440 -0.226 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115156423 826434386 /nfs/dbraw/zinc/43/43/86/826434386.db2.gz NUGQHJSNTZBLJW-LJIGWXMPSA-N 2 0 334.464 -0.097 20 30 EBEDRP C[C@@H]1[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001121134170 827303498 /nfs/dbraw/zinc/30/34/98/827303498.db2.gz WGZUHEOTKQATKO-LLHKYXTOSA-N 2 0 347.463 -0.017 20 30 EBEDRP C[NH+]1CCC(C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)CC1 ZINC001121687748 827426596 /nfs/dbraw/zinc/42/65/96/827426596.db2.gz WQADRNIYRJZRKY-UHFFFAOYSA-N 2 0 347.463 -0.015 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475119 828297048 /nfs/dbraw/zinc/29/70/48/828297048.db2.gz QZEPUDCIHGQSNL-CYBMUJFWSA-N 2 0 337.424 -0.954 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474364 828297343 /nfs/dbraw/zinc/29/73/43/828297343.db2.gz LOOCEUGVVJGFLF-HNNXBMFYSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186458235 833402065 /nfs/dbraw/zinc/40/20/65/833402065.db2.gz LCJZXVYEJBSIIV-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886489 829545017 /nfs/dbraw/zinc/54/50/17/829545017.db2.gz OJALZYGRKSGXPW-STQMWFEESA-N 2 0 339.440 -0.566 20 30 EBEDRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133310675 829619608 /nfs/dbraw/zinc/61/96/08/829619608.db2.gz QGFMGEQZMOCMFH-GJZGRUSLSA-N 2 0 335.452 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135922867 830047008 /nfs/dbraw/zinc/04/70/08/830047008.db2.gz CHTBHEXYBCZJBH-UONOGXRCSA-N 2 0 326.441 -0.813 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001146582282 830209633 /nfs/dbraw/zinc/20/96/33/830209633.db2.gz FWKLMSJLUAOINB-GJZGRUSLSA-N 2 0 347.463 -0.156 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711789 830222438 /nfs/dbraw/zinc/22/24/38/830222438.db2.gz XRYLFUYREHEEOF-GFCCVEGCSA-N 2 0 327.429 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073931 831022772 /nfs/dbraw/zinc/02/27/72/831022772.db2.gz SPTANQJNEAPSMR-VXGBXAGGSA-N 2 0 325.413 -0.956 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)CC1 ZINC001152329878 831151661 /nfs/dbraw/zinc/15/16/61/831151661.db2.gz CVZXODLRDBGNEX-UHFFFAOYSA-N 2 0 330.432 -0.064 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001152330522 831153112 /nfs/dbraw/zinc/15/31/12/831153112.db2.gz QLWFLGHRVHEMPL-OAHLLOKOSA-N 2 0 330.436 -0.184 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158384653 831650223 /nfs/dbraw/zinc/65/02/23/831650223.db2.gz XQCLPHQFYUKAJI-IHRRRGAJSA-N 2 0 347.337 -0.119 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155409 831712193 /nfs/dbraw/zinc/71/21/93/831712193.db2.gz OTMPUQXFBMFULJ-KGLIPLIRSA-N 2 0 328.432 -0.100 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951069 831909244 /nfs/dbraw/zinc/90/92/44/831909244.db2.gz CTEJJYIWNSPDCB-UHFFFAOYSA-N 2 0 338.452 -0.810 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164556414 832197815 /nfs/dbraw/zinc/19/78/15/832197815.db2.gz WMSVLOBLIQJIQV-INIZCTEOSA-N 2 0 346.475 -0.046 20 30 EBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001165764454 832235858 /nfs/dbraw/zinc/23/58/58/832235858.db2.gz QPJSBYIQTPWWHD-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166687013 832279894 /nfs/dbraw/zinc/27/98/94/832279894.db2.gz GUYOWMZAVLJJIM-MRXNPFEDSA-N 2 0 341.431 -0.065 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166857329 832293635 /nfs/dbraw/zinc/29/36/35/832293635.db2.gz CNPQSXHEROULLC-LBPRGKRZSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732681 832367974 /nfs/dbraw/zinc/36/79/74/832367974.db2.gz MFEXWHGPTHWMIZ-UHFFFAOYSA-N 2 0 338.452 -0.810 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167736737 832369502 /nfs/dbraw/zinc/36/95/02/832369502.db2.gz IIRBNWNBESRHCR-AWEZNQCLSA-N 2 0 335.452 -0.156 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160392 832660155 /nfs/dbraw/zinc/66/01/55/832660155.db2.gz CXLJJJRJVAZNEB-LSDHHAIUSA-N 2 0 338.452 -0.812 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCNC(=O)C2CC2)CC1 ZINC001176926516 832712148 /nfs/dbraw/zinc/71/21/48/832712148.db2.gz OCPLHKZBDXEZLV-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851840 833973731 /nfs/dbraw/zinc/97/37/31/833973731.db2.gz WKMGPSGIIVQKKM-HUUCEWRRSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C2)CC1 ZINC001188118475 834008299 /nfs/dbraw/zinc/00/82/99/834008299.db2.gz WUDVOMWICJVEMZ-GXTWGEPZSA-N 2 0 349.435 -0.895 20 30 EBEDRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001188139870 834013400 /nfs/dbraw/zinc/01/34/00/834013400.db2.gz TWUQVRRNXCIVDT-GDBMZVCRSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188145981 834013414 /nfs/dbraw/zinc/01/34/14/834013414.db2.gz UPVXLUUZFZOPAZ-CYBMUJFWSA-N 2 0 339.440 -0.471 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193498549 834891038 /nfs/dbraw/zinc/89/10/38/834891038.db2.gz FMJCTXGZEFVJLN-CABCVRRESA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C[C@@H](O)COC)C2)CC1 ZINC001194247325 835059842 /nfs/dbraw/zinc/05/98/42/835059842.db2.gz WPHNZEUKNIGOMY-DLBZAZTESA-N 2 0 337.464 -0.128 20 30 EBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320261 835537272 /nfs/dbraw/zinc/53/72/72/835537272.db2.gz VWDIOHDGYVXWJE-HZPDHXFCSA-N 2 0 341.452 -0.539 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277870 836121934 /nfs/dbraw/zinc/12/19/34/836121934.db2.gz ZELOLTISVXZXGS-HNNXBMFYSA-N 2 0 338.452 -0.715 20 30 EBEDRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641019 836456762 /nfs/dbraw/zinc/45/67/62/836456762.db2.gz MBIDHJOELQMIBX-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206872577 836686340 /nfs/dbraw/zinc/68/63/40/836686340.db2.gz KNAUEDMPPMXIOU-HNNXBMFYSA-N 2 0 335.452 -0.204 20 30 EBEDRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206873704 836686377 /nfs/dbraw/zinc/68/63/77/836686377.db2.gz JXDIKDZJRZMVCK-UHFFFAOYSA-N 2 0 339.440 -0.967 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208262060 836964419 /nfs/dbraw/zinc/96/44/19/836964419.db2.gz XJRRHIRNBIPFOO-CABCVRRESA-N 2 0 340.443 -0.004 20 30 EBEDRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209680374 837190222 /nfs/dbraw/zinc/19/02/22/837190222.db2.gz YTYQVKJMLOGHDO-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319575650 838152036 /nfs/dbraw/zinc/15/20/36/838152036.db2.gz YWXYMGRODFZHCG-KGLIPLIRSA-N 2 0 339.440 -0.969 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001320112700 838232525 /nfs/dbraw/zinc/23/25/25/838232525.db2.gz FGAUFFQOLPDIGG-LSDHHAIUSA-N 2 0 333.436 -0.355 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001325736490 839923308 /nfs/dbraw/zinc/92/33/08/839923308.db2.gz PUFQUQGQSKQNQE-OWCLPIDISA-N 2 0 347.463 -0.111 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@@H+](CCOC)C2)CC1 ZINC001325866393 839963598 /nfs/dbraw/zinc/96/35/98/839963598.db2.gz WIACWWZBJRYMKB-GOSISDBHSA-N 2 0 337.464 -0.079 20 30 EBEDRP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CN(C)CCO2)CCOCC1 ZINC001327628422 840478892 /nfs/dbraw/zinc/47/88/92/840478892.db2.gz SMZBJILXVKVKPI-HNNXBMFYSA-N 2 0 339.436 -0.778 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330512556 841224837 /nfs/dbraw/zinc/22/48/37/841224837.db2.gz WOIGZISLWHNSNZ-OAHLLOKOSA-N 2 0 347.463 -0.108 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001332524025 841660863 /nfs/dbraw/zinc/66/08/63/841660863.db2.gz ZSRKDWHZIOYVAP-KBPBESRZSA-N 2 0 338.452 -0.983 20 30 EBEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001332529051 841662263 /nfs/dbraw/zinc/66/22/63/841662263.db2.gz LZFTWXPCSXEEAH-OAHLLOKOSA-N 2 0 325.453 -0.223 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@H](O)COC)C2)CC1 ZINC001333154404 841807163 /nfs/dbraw/zinc/80/71/63/841807163.db2.gz RZXPXEPDJRIHQE-JCYILVPMSA-N 2 0 337.464 -0.082 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481232435 1125948431 /nfs/dbraw/zinc/94/84/31/1125948431.db2.gz ZBFDKXYETXQSQL-CHWSQXEVSA-N 2 0 339.440 -0.614 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001481728549 1126046706 /nfs/dbraw/zinc/04/67/06/1126046706.db2.gz MQIXMUYJCQZESA-ZIAGYGMSSA-N 2 0 341.431 -0.161 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482742151 1126274195 /nfs/dbraw/zinc/27/41/95/1126274195.db2.gz PNJQXXSPKJROIS-CQSZACIVSA-N 2 0 338.452 -0.769 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482760613 1126279723 /nfs/dbraw/zinc/27/97/23/1126279723.db2.gz CSNWVJQZVCQOTB-MELADBBJSA-N 2 0 326.441 -0.914 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001482900312 1126300475 /nfs/dbraw/zinc/30/04/75/1126300475.db2.gz AMTLVWXWAQRRHX-CYBMUJFWSA-N 2 0 348.451 -0.562 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC1 ZINC001483794933 1126478165 /nfs/dbraw/zinc/47/81/65/1126478165.db2.gz NEKOMVHQGZMTAB-LBPRGKRZSA-N 2 0 349.435 -0.847 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001483936310 1126490966 /nfs/dbraw/zinc/49/09/66/1126490966.db2.gz INBXSXACVIGIBZ-AWEZNQCLSA-N 2 0 333.436 -0.165 20 30 EBEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCOCCO)CC1 ZINC001483989535 1126496058 /nfs/dbraw/zinc/49/60/58/1126496058.db2.gz NGDMLQNAANKCOE-MRXNPFEDSA-N 2 0 337.464 -0.127 20 30 EBEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001484866464 1126644529 /nfs/dbraw/zinc/64/45/29/1126644529.db2.gz NQOVPAIDWQPFBJ-CQSZACIVSA-N 2 0 338.452 -0.362 20 30 EBEDRP CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001484855279 1126645004 /nfs/dbraw/zinc/64/50/04/1126645004.db2.gz NNLWOKHYLHXGGR-NVXWUHKLSA-N 2 0 325.453 -0.081 20 30 EBEDRP C[N@H+](CC(=O)NCC#N)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001485766725 1126828744 /nfs/dbraw/zinc/82/87/44/1126828744.db2.gz POUKSNMYFNVVKB-AWEZNQCLSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001486359513 1127153960 /nfs/dbraw/zinc/15/39/60/1127153960.db2.gz YEPWCVCOGJEISC-HOTGVXAUSA-N 2 0 325.453 -0.271 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001490902079 1130233131 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20 30 EBEDRP COCC#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001316959177 821940580 /nfs/dbraw/zinc/94/05/80/821940580.db2.gz DUUVDTATALLFOX-QGZVFWFLSA-N 2 0 336.480 -0.146 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317069101 821993930 /nfs/dbraw/zinc/99/39/30/821993930.db2.gz FHQUCBGFJXEAER-WBVHZDCISA-N 2 0 344.459 -0.340 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317333443 822085549 /nfs/dbraw/zinc/08/55/49/822085549.db2.gz GCLNYWQXFKRVCX-LSDHHAIUSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821200 824441969 /nfs/dbraw/zinc/44/19/69/824441969.db2.gz DTCOIFDNFMBFLA-XHSDSOJGSA-N 2 0 332.448 -0.199 20 30 EBEDRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130081186 828728880 /nfs/dbraw/zinc/72/88/80/828728880.db2.gz CHWYFIABDHOGDM-CVEARBPZSA-N 2 0 348.451 -0.389 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112285322 825418149 /nfs/dbraw/zinc/41/81/49/825418149.db2.gz SVUYYDXTSSGSOF-DAYGRLMNSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406571 826236256 /nfs/dbraw/zinc/23/62/56/826236256.db2.gz GLHKUKKXQVUOFQ-BYNSBNAKSA-N 2 0 332.448 -0.345 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769439 826338689 /nfs/dbraw/zinc/33/86/89/826338689.db2.gz FRKZGFJWOSTADV-OJLVUWQFSA-N 2 0 332.448 -0.488 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114926983 826373627 /nfs/dbraw/zinc/37/36/27/826373627.db2.gz FXZFFMAQZPYGGI-KBEGMRNHSA-N 2 0 346.475 -0.097 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125782 826427975 /nfs/dbraw/zinc/42/79/75/826427975.db2.gz BWPDDDNGAYZTTO-TTZDDIAXSA-N 2 0 338.452 -0.698 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)COC)C[C@H]32)CC1 ZINC001115290664 826496476 /nfs/dbraw/zinc/49/64/76/826496476.db2.gz YJUKFJUCNVOWNB-NCOADZHNSA-N 2 0 335.448 -0.615 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127067473 828246693 /nfs/dbraw/zinc/24/66/93/828246693.db2.gz XMJNYNWYHJOGKW-ZDUSSCGKSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1=O ZINC001132848286 829533561 /nfs/dbraw/zinc/53/35/61/829533561.db2.gz DASAIFIFNLQWSU-HUUCEWRRSA-N 2 0 338.452 -0.412 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852141 829536187 /nfs/dbraw/zinc/53/61/87/829536187.db2.gz IKVMYUDHXBFOAJ-KGLIPLIRSA-N 2 0 326.441 -0.508 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020963 829713262 /nfs/dbraw/zinc/71/32/62/829713262.db2.gz MIHWXLXFUBPRBT-GJZGRUSLSA-N 2 0 338.452 -0.669 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C 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UBRRDDFJEYNLBZ-XUXIUFHCSA-N 2 0 339.415 -0.104 20 30 EBEDRP CN(CCC(=O)NCCC[NH2+]CC(=O)NCC#N)c1cc[nH+]cc1 ZINC001161407715 831954440 /nfs/dbraw/zinc/95/44/40/831954440.db2.gz LLKPHVCQYZKHFF-UHFFFAOYSA-N 2 0 332.408 -0.356 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872088 832069123 /nfs/dbraw/zinc/06/91/23/832069123.db2.gz GJJXYSIGZOBTHT-UUCFBXCCSA-N 2 0 336.436 -0.752 20 30 EBEDRP C[N@H+](CCc1ccccc1)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166750702 832286452 /nfs/dbraw/zinc/28/64/52/832286452.db2.gz LOVJSIPOBKWNBU-UHFFFAOYSA-N 2 0 345.447 -0.103 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167232919 832318927 /nfs/dbraw/zinc/31/89/27/832318927.db2.gz UQGPULYCZFQWGY-AWEZNQCLSA-N 2 0 335.452 -0.156 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052609 832392111 /nfs/dbraw/zinc/39/21/11/832392111.db2.gz SYSQBPRWYSANIJ-AWEZNQCLSA-N 2 0 348.451 -0.708 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178813171 832915473 /nfs/dbraw/zinc/91/54/73/832915473.db2.gz ALKBUJKNSAQTIZ-IHRRRGAJSA-N 2 0 341.431 -0.115 20 30 EBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179546032 832986903 /nfs/dbraw/zinc/98/69/03/832986903.db2.gz AANZOYOEMLKFTJ-KBPBESRZSA-N 2 0 335.452 -0.063 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817827 833969964 /nfs/dbraw/zinc/96/99/64/833969964.db2.gz KGNZAHASERNVAT-LSDHHAIUSA-N 2 0 335.452 -0.109 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488061 834887114 /nfs/dbraw/zinc/88/71/14/834887114.db2.gz LMIORPVXZMWSEX-LSDHHAIUSA-N 2 0 340.468 -0.212 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC)C2)CC1 ZINC001194246335 835058600 /nfs/dbraw/zinc/05/86/00/835058600.db2.gz LEKYBISKQNUYNE-ZBFHGGJFSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC=C)C[C@H]2O)CC1 ZINC001199028935 835751900 /nfs/dbraw/zinc/75/19/00/835751900.db2.gz ATZKVCWTPHNDKN-IAGOWNOFSA-N 2 0 335.448 -0.305 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658076 836010611 /nfs/dbraw/zinc/01/06/11/836010611.db2.gz GZQLYFQLVVLGNT-HUUCEWRRSA-N 2 0 349.435 -0.930 20 30 EBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034804 836083171 /nfs/dbraw/zinc/08/31/71/836083171.db2.gz YEXIZNGEYDLTSN-BNQMIIOLSA-N 2 0 333.432 -0.310 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201319868 836128034 /nfs/dbraw/zinc/12/80/34/836128034.db2.gz VLVJLTSBHUDJKW-HUUCEWRRSA-N 2 0 338.452 -0.717 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048519 836240250 /nfs/dbraw/zinc/24/02/50/836240250.db2.gz ACWZHHOIRDAUHH-OAHLLOKOSA-N 2 0 338.452 -0.409 20 30 EBEDRP CC[NH+](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203512814 836440480 /nfs/dbraw/zinc/44/04/80/836440480.db2.gz DAQUZNXXASMZGZ-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH2+]CC(=O)NC)CC2)CC1 ZINC001206949227 836726265 /nfs/dbraw/zinc/72/62/65/836726265.db2.gz VKYQMNQWSNNRQH-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001210282769 837265577 /nfs/dbraw/zinc/26/55/77/837265577.db2.gz JWZDGTDPTSODPN-OAHLLOKOSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001320315583 838756562 /nfs/dbraw/zinc/75/65/62/838756562.db2.gz JLNJFUAVPFLBBW-IAGOWNOFSA-N 2 0 337.464 -0.033 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001320927990 838863640 /nfs/dbraw/zinc/86/36/40/838863640.db2.gz DMSCMHKGZRREEV-HNNXBMFYSA-N 2 0 348.447 -0.425 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNCc1nnnn1CCC ZINC001321543365 839014322 /nfs/dbraw/zinc/01/43/22/839014322.db2.gz MSMOFSXERCHUJC-KGLIPLIRSA-N 2 0 333.440 -0.225 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321710832 839059660 /nfs/dbraw/zinc/05/96/60/839059660.db2.gz UMWCKYMOHPHIKL-OLZOCXBDSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001324814540 839718813 /nfs/dbraw/zinc/71/88/13/839718813.db2.gz UZLBWFPMUWBGSW-CRAIPNDOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324814545 839718877 /nfs/dbraw/zinc/71/88/77/839718877.db2.gz UZLBWFPMUWBGSW-YJBOKZPZSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437925 839865877 /nfs/dbraw/zinc/86/58/77/839865877.db2.gz MRWBOLBMHQQLJN-GOEBONIOSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326980972 840259008 /nfs/dbraw/zinc/25/90/08/840259008.db2.gz ZPWUGIOERHITHO-SJORKVTESA-N 2 0 335.448 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001326988670 840260412 /nfs/dbraw/zinc/26/04/12/840260412.db2.gz OWYSTURURNMURY-OAHLLOKOSA-N 2 0 336.436 -0.963 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)CC1 ZINC001327608580 840472533 /nfs/dbraw/zinc/47/25/33/840472533.db2.gz ZBTWRWNSPHFVJS-SFHVURJKSA-N 2 0 337.464 -0.343 20 30 EBEDRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001327908376 840545010 /nfs/dbraw/zinc/54/50/10/840545010.db2.gz ZLHHJUHLZOTATG-UONOGXRCSA-N 2 0 335.452 -0.063 20 30 EBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001327925862 840550333 /nfs/dbraw/zinc/55/03/33/840550333.db2.gz PNGPKCJTMDNQBC-CABCVRRESA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001328938015 840791792 /nfs/dbraw/zinc/79/17/92/840791792.db2.gz HESHVZIEPUVQIZ-UHFFFAOYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC001332378487 841628793 /nfs/dbraw/zinc/62/87/93/841628793.db2.gz AVYSXFMZJKDGTH-KFWWJZLASA-N 2 0 334.464 -0.097 20 30 EBEDRP C#CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC001340180388 842980382 /nfs/dbraw/zinc/98/03/82/842980382.db2.gz XJWDPFNWFXYSPB-UHFFFAOYSA-N 2 0 346.435 -0.403 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001481728542 1126046924 /nfs/dbraw/zinc/04/69/24/1126046924.db2.gz MQIXMUYJCQZESA-KBPBESRZSA-N 2 0 341.431 -0.161 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCOCCO)C2)CC1 ZINC001484070156 1126504560 /nfs/dbraw/zinc/50/45/60/1126504560.db2.gz CVSLAUQBJLNRSP-SFHVURJKSA-N 2 0 337.464 -0.079 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]1(O)CC[N@H+](CC#CCOC)C1 ZINC001484220952 1126530378 /nfs/dbraw/zinc/53/03/78/1126530378.db2.gz GMLUGLCKHXRZLR-NVXWUHKLSA-N 2 0 343.443 -0.131 20 30 EBEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)CC1 ZINC001484565115 1126603865 /nfs/dbraw/zinc/60/38/65/1126603865.db2.gz LSVJSSJBILTFTL-KKUMJFAQSA-N 2 0 335.452 -0.015 20 30 EBEDRP Cc1nccn1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001484619517 1126611893 /nfs/dbraw/zinc/61/18/93/1126611893.db2.gz DFVRGQVBTBGILE-CQSZACIVSA-N 2 0 332.408 -0.198 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687668 1126621917 /nfs/dbraw/zinc/62/19/17/1126621917.db2.gz MEQGUHZXEVTOJB-HNNXBMFYSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCOCCO)C[C@H]2C)CC1 ZINC001486133625 1127044803 /nfs/dbraw/zinc/04/48/03/1127044803.db2.gz FHWBUAAZHIXZSQ-WBVHZDCISA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280665225 1129276568 /nfs/dbraw/zinc/27/65/68/1129276568.db2.gz AGSAQAGDUJNIRQ-CABCVRRESA-N 2 0 338.452 -0.410 20 30 EBEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261658044 379221716 /nfs/dbraw/zinc/22/17/16/379221716.db2.gz FQVDPXQRNNVJRG-CYBMUJFWSA-N 2 0 333.440 -0.404 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627386805 379576376 /nfs/dbraw/zinc/57/63/76/379576376.db2.gz XTZUTWJNZWYLKK-UHFFFAOYSA-N 2 0 326.441 -0.375 20 30 EBEDRP CNC(=O)[C@@]1(C)CC[NH+](CC#CC[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000342134807 380757730 /nfs/dbraw/zinc/75/77/30/380757730.db2.gz SEVUOUJGAXFYCZ-ROUUACIJSA-N 2 0 334.464 -0.094 20 30 EBEDRP O=C1C[C@]2(CC[NH+](CC#CC[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329231 380838100 /nfs/dbraw/zinc/83/81/00/380838100.db2.gz YHIKFKBLORRKSR-QZTJIDSGSA-N 2 0 330.432 -0.586 20 30 EBEDRP C[C@@H](C#N)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000345301089 381039527 /nfs/dbraw/zinc/03/95/27/381039527.db2.gz ZMTIGVKLCKXSEE-AWEZNQCLSA-N 2 0 335.452 -0.157 20 30 EBEDRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC#CC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000348185732 381338408 /nfs/dbraw/zinc/33/84/08/381338408.db2.gz QNZWLPHVMXQXCE-SYMSYNOKSA-N 2 0 334.464 -0.002 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419734027 381490956 /nfs/dbraw/zinc/49/09/56/381490956.db2.gz USEQVRUCGMVTMD-GXTWGEPZSA-N 2 0 338.452 -0.018 20 30 EBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000576850105 381924807 /nfs/dbraw/zinc/92/48/07/381924807.db2.gz AWAICHSHLPLHGX-UHFFFAOYSA-N 2 0 329.404 -0.464 20 30 EBEDRP C#CC1(O)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892545267 582581924 /nfs/dbraw/zinc/58/19/24/582581924.db2.gz RRVPYOQJGCXTPA-UHFFFAOYSA-N 2 0 343.431 -0.017 20 30 EBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000844195638 584091319 /nfs/dbraw/zinc/09/13/19/584091319.db2.gz XNTGLOJDJFJBDO-LSDHHAIUSA-N 2 0 328.420 -0.179 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849112941 584166084 /nfs/dbraw/zinc/16/60/84/584166084.db2.gz FVTVQMBGXNYJHO-HNNXBMFYSA-N 2 0 327.473 -0.670 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000133837061 584615085 /nfs/dbraw/zinc/61/50/85/584615085.db2.gz WIKKCCDLPATCPY-QWHCGFSZSA-N 2 0 331.486 -0.344 20 30 EBEDRP CN(C)C(=O)CNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C1CCCC1 ZINC000262268870 649986810 /nfs/dbraw/zinc/98/68/10/649986810.db2.gz GLHSPZCOIWNKNX-OAHLLOKOSA-N 2 0 336.484 -0.448 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCN(C(C)=O)CC1 ZINC000262769324 649988212 /nfs/dbraw/zinc/98/82/12/649988212.db2.gz HCYLGMTZPXGAIN-MRXNPFEDSA-N 2 0 336.484 -0.448 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)CC(=O)NC(C)(C)C ZINC000262813995 649988335 /nfs/dbraw/zinc/98/83/35/649988335.db2.gz UZJYUBQSYORPFE-CYBMUJFWSA-N 2 0 326.489 -0.346 20 30 EBEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)NCCCN1CCOCC1 ZINC000303889919 649992886 /nfs/dbraw/zinc/99/28/86/649992886.db2.gz MHMNDWGVUMEJAB-UHFFFAOYSA-N 2 0 327.473 -0.275 20 30 EBEDRP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000303884855 649993356 /nfs/dbraw/zinc/99/33/56/649993356.db2.gz MWLGYHXXCYYECD-MRXNPFEDSA-N 2 0 340.516 -0.504 20 30 EBEDRP C=C1[C@H](C(=O)NCC#CC[NH+](C)C)[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913523818 650235577 /nfs/dbraw/zinc/23/55/77/650235577.db2.gz NQKZEYGIPHLWKE-IYBDPMFKSA-N 2 0 330.432 -0.849 20 30 EBEDRP C=CCN1CC(N2CCN(C(=O)[C@H](Cn3cccn3)N(C)C)CC2)C1 ZINC000941436887 652737599 /nfs/dbraw/zinc/73/75/99/652737599.db2.gz KHOODSFMWQYXRE-KRWDZBQOSA-N 2 0 346.479 -0.172 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000960348316 722822321 /nfs/dbraw/zinc/82/23/21/722822321.db2.gz RYSRNFZEHXYBDZ-XUWVNRHRSA-N 2 0 328.420 -0.578 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000991715938 725568365 /nfs/dbraw/zinc/56/83/65/725568365.db2.gz BJGSIXRFZBQTIL-OAHLLOKOSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21 ZINC000976737871 726402313 /nfs/dbraw/zinc/40/23/13/726402313.db2.gz YNSBTNJGZPPUDO-ALYAQQCSSA-N 2 0 346.475 -0.003 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001016336020 728458048 /nfs/dbraw/zinc/45/80/48/728458048.db2.gz HHRFBQKKLNQXQI-INIZCTEOSA-N 2 0 330.436 -0.186 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)CC1 ZINC001016984503 728536011 /nfs/dbraw/zinc/53/60/11/728536011.db2.gz CWHMFNPZEHJASX-HNNXBMFYSA-N 2 0 332.448 -0.212 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001021089221 729281645 /nfs/dbraw/zinc/28/16/45/729281645.db2.gz BHSNOABXSWNNOY-JYJNAYRXSA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001025814015 730095300 /nfs/dbraw/zinc/09/53/00/730095300.db2.gz BKFVRAAHZMYTGW-BQJWPVKWSA-N 2 0 344.459 -0.249 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001027233773 730202232 /nfs/dbraw/zinc/20/22/32/730202232.db2.gz KBRMCTUWRGVJJA-CQSZACIVSA-N 2 0 345.451 -0.507 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001029003387 730382782 /nfs/dbraw/zinc/38/27/82/730382782.db2.gz MEWWEGXALPZFMM-HNNXBMFYSA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001029004515 730382951 /nfs/dbraw/zinc/38/29/51/730382951.db2.gz YFPVCPZXXLCMFO-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049235146 734695023 /nfs/dbraw/zinc/69/50/23/734695023.db2.gz LGQGDGVUVIBILF-IXDOHACOSA-N 2 0 344.459 -0.390 20 30 EBEDRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216828424 810392957 /nfs/dbraw/zinc/39/29/57/810392957.db2.gz FZYFRDVEZHGRLR-HUUCEWRRSA-N 2 0 335.452 -0.061 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219610584 810769741 /nfs/dbraw/zinc/76/97/41/810769741.db2.gz PGBWLLLHGSKBAJ-WEDXCCLWSA-N 2 0 345.343 -0.896 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219826382 810864058 /nfs/dbraw/zinc/86/40/58/810864058.db2.gz QWXNWZNNGYPTAQ-OUAUKWLOSA-N 2 0 345.446 -0.285 20 30 EBEDRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001219999029 810940225 /nfs/dbraw/zinc/94/02/25/810940225.db2.gz INECIQLZVPUWJJ-AWEZNQCLSA-N 2 0 330.388 -0.161 20 30 EBEDRP COC(=O)c1ccc(C(N)=NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001220577334 811163151 /nfs/dbraw/zinc/16/31/51/811163151.db2.gz MRDLRCZFDIUOQB-CXAGYDPISA-N 2 0 330.388 -0.096 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001220680820 811198490 /nfs/dbraw/zinc/19/84/90/811198490.db2.gz RZCLMNZMXWHMMJ-SJHCENCUSA-N 2 0 331.438 -0.518 20 30 EBEDRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C[NH2+]C1 ZINC001220827852 811256341 /nfs/dbraw/zinc/25/63/41/811256341.db2.gz AHWLVDISOXSEFY-AWEZNQCLSA-N 2 0 328.372 -0.035 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221410317 811451584 /nfs/dbraw/zinc/45/15/84/811451584.db2.gz QRCHBAQKEJRXPV-AGIUHOORSA-N 2 0 331.438 -0.803 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)CC1 ZINC001228334518 811974641 /nfs/dbraw/zinc/97/46/41/811974641.db2.gz OBNZEIZYZSOFKM-HUUCEWRRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001229691769 812049006 /nfs/dbraw/zinc/04/90/06/812049006.db2.gz AIENTRVTXYYWBX-RBSFLKMASA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCN(CCN1CC[NH2+]CCNCC[NH2+]CC1)C(=O)OCC ZINC001235869076 812514174 /nfs/dbraw/zinc/51/41/74/812514174.db2.gz JJCNEKPLXAQODR-UHFFFAOYSA-N 2 0 327.473 -0.285 20 30 EBEDRP C=CC[C@H]1[NH2+]CCC[C@H]1N1C[C@@]23C[NH2+]C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247009640 812596224 /nfs/dbraw/zinc/59/62/24/812596224.db2.gz PCTFVBULZFKCSK-ZSAUSMIDSA-N 2 0 327.450 -0.172 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NCC#N ZINC001266645660 813631746 /nfs/dbraw/zinc/63/17/46/813631746.db2.gz FESVSPGFADBINI-JALIKCBVSA-N 2 0 333.436 -0.168 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001266804786 813675095 /nfs/dbraw/zinc/67/50/95/813675095.db2.gz OKRVECUJGDYAJK-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266866628 813688580 /nfs/dbraw/zinc/68/85/80/813688580.db2.gz CHRJUGKZYQVYOW-JKSUJKDBSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266981417 813719691 /nfs/dbraw/zinc/71/96/91/813719691.db2.gz JUWNBVIFCHPYCV-KGLIPLIRSA-N 2 0 338.452 -0.671 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001266985503 813720564 /nfs/dbraw/zinc/72/05/64/813720564.db2.gz KZYUBOQKGXSNTB-GFCCVEGCSA-N 2 0 337.424 -0.812 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001267845467 814053985 /nfs/dbraw/zinc/05/39/85/814053985.db2.gz SWVRSEIDDCDVRD-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001267845468 814054207 /nfs/dbraw/zinc/05/42/07/814054207.db2.gz SWVRSEIDDCDVRD-CQSZACIVSA-N 2 0 335.452 -0.013 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2nnnn2C)CC1 ZINC001268015370 814092210 /nfs/dbraw/zinc/09/22/10/814092210.db2.gz LEJVZSAUXVKEBT-CYBMUJFWSA-N 2 0 333.440 -0.603 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286916 814171984 /nfs/dbraw/zinc/17/19/84/814171984.db2.gz NBBQTSPZVWHSLT-HOTGVXAUSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](C)O)C[C@@H]32)CC1 ZINC001083283603 814261576 /nfs/dbraw/zinc/26/15/76/814261576.db2.gz KMECEVGAZKUUIM-BHYGNILZSA-N 2 0 335.448 -0.376 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001269378004 814669667 /nfs/dbraw/zinc/66/96/67/814669667.db2.gz MCBRSRMZOIPXQJ-QWHCGFSZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(=O)NCC#N)CC1 ZINC001269516071 814716775 /nfs/dbraw/zinc/71/67/75/814716775.db2.gz LIXWPUKXAVPFFQ-OAHLLOKOSA-N 2 0 333.436 -0.544 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084088015 815825751 /nfs/dbraw/zinc/82/57/51/815825751.db2.gz LXIYTNOWTDXTAI-UAGQMJEPSA-N 2 0 335.448 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001271217016 816039180 /nfs/dbraw/zinc/03/91/80/816039180.db2.gz RNHLJXZGWAKPOH-GDBMZVCRSA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001273309394 816639787 /nfs/dbraw/zinc/63/97/87/816639787.db2.gz YFCKCFYYFUIJFM-KBPBESRZSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274034030 816844267 /nfs/dbraw/zinc/84/42/67/816844267.db2.gz BLYMMXMJCJWLTI-QNKPMFPBSA-N 2 0 332.448 -0.272 20 30 EBEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813645 817478504 /nfs/dbraw/zinc/47/85/04/817478504.db2.gz PTMPQSUZPKHNHR-HOTGVXAUSA-N 2 0 335.448 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001277892779 817653069 /nfs/dbraw/zinc/65/30/69/817653069.db2.gz WXEOMIBOQZBIHQ-HNNXBMFYSA-N 2 0 332.448 -0.055 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278542725 817778441 /nfs/dbraw/zinc/77/84/41/817778441.db2.gz UFDWLQZYYXRNFX-MRXNPFEDSA-N 2 0 335.452 -0.204 20 30 EBEDRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CCC1 ZINC001278644301 817787377 /nfs/dbraw/zinc/78/73/77/817787377.db2.gz CYSVAPIQDYUSDU-ZDUSSCGKSA-N 2 0 335.452 -0.063 20 30 EBEDRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CCC1 ZINC001278644300 817787625 /nfs/dbraw/zinc/78/76/25/817787625.db2.gz CYSVAPIQDYUSDU-CYBMUJFWSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001278838049 817858194 /nfs/dbraw/zinc/85/81/94/817858194.db2.gz GHEMOQCTQRLVPI-GJZGRUSLSA-N 2 0 338.452 -0.981 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001278838047 817858569 /nfs/dbraw/zinc/85/85/69/817858569.db2.gz GHEMOQCTQRLVPI-CABCVRRESA-N 2 0 338.452 -0.981 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001279148752 817908963 /nfs/dbraw/zinc/90/89/63/817908963.db2.gz KBKXPVHURLBDEH-ZBFHGGJFSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001282083520 818359158 /nfs/dbraw/zinc/35/91/58/818359158.db2.gz DVTUEVQNPAHZJX-UHFFFAOYSA-N 2 0 345.447 -0.544 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001282497392 818441779 /nfs/dbraw/zinc/44/17/79/818441779.db2.gz NOTQEJGQQRVVDP-ZBFHGGJFSA-N 2 0 334.464 -0.001 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001283043297 818604347 /nfs/dbraw/zinc/60/43/47/818604347.db2.gz JTSLROUABMBJSE-BPLDGKMQSA-N 2 0 333.436 -0.548 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100872936 820586365 /nfs/dbraw/zinc/58/63/65/820586365.db2.gz OQOCCPDVDOHWKT-NFOMZHRRSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001101171769 820708631 /nfs/dbraw/zinc/70/86/31/820708631.db2.gz KXBJKUUWDRTWRG-RKVPGOIHSA-N 2 0 332.448 -0.390 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101353147 820764660 /nfs/dbraw/zinc/76/46/60/820764660.db2.gz URWSSTZSHQXUQW-RKVPGOIHSA-N 2 0 334.464 -0.144 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430141 820788235 /nfs/dbraw/zinc/78/82/35/820788235.db2.gz QUVYVTHQWGBAHV-FCEWJHQRSA-N 2 0 346.475 -0.142 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102316473 821069172 /nfs/dbraw/zinc/06/91/72/821069172.db2.gz RTOQITULBCEBLK-UKRRQHHQSA-N 2 0 335.452 -0.348 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366938 821080021 /nfs/dbraw/zinc/08/00/21/821080021.db2.gz VVYBSWYZYPMOEX-QLFBSQMISA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780709 821212027 /nfs/dbraw/zinc/21/20/27/821212027.db2.gz LEKROXMRGZXSSE-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722440 821345495 /nfs/dbraw/zinc/34/54/95/821345495.db2.gz NGHBKANEUJYSJK-HZPDHXFCSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104000173 821385329 /nfs/dbraw/zinc/38/53/29/821385329.db2.gz XWDPACUPTFKGLY-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317213577 822038598 /nfs/dbraw/zinc/03/85/98/822038598.db2.gz DUBDPAHEEQTBQQ-LVNYTYFRSA-N 2 0 332.448 -0.488 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317213584 822038733 /nfs/dbraw/zinc/03/87/33/822038733.db2.gz DUBDPAHEEQTBQQ-NMNMXBMNSA-N 2 0 332.448 -0.488 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001106927320 822354486 /nfs/dbraw/zinc/35/44/86/822354486.db2.gz JVKDVPMKLSBUDA-MDZRGWNJSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364572 828606255 /nfs/dbraw/zinc/60/62/55/828606255.db2.gz XDKXWKXHPCMQKX-LBPRGKRZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129454105 828621384 /nfs/dbraw/zinc/62/13/84/828621384.db2.gz DRVQWALDNWERTE-WCQYABFASA-N 2 0 339.440 -0.567 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001130237916 828763471 /nfs/dbraw/zinc/76/34/71/828763471.db2.gz JRFUAJOXBWKULR-IHRRRGAJSA-N 2 0 348.451 -0.144 20 30 EBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179651482 832997162 /nfs/dbraw/zinc/99/71/62/832997162.db2.gz FXFKSBRRFDBIJE-ZFWWWQNUSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013726 826400232 /nfs/dbraw/zinc/40/02/32/826400232.db2.gz RYUGQWFRZSENHW-CBZIJGRNSA-N 2 0 346.475 -0.097 20 30 EBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001120425911 827216627 /nfs/dbraw/zinc/21/66/27/827216627.db2.gz HMDFCXBCMRWURM-UHFFFAOYSA-N 2 0 337.468 -0.708 20 30 EBEDRP C#Cc1cccc(NC(=O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC001120574651 827246961 /nfs/dbraw/zinc/24/69/61/827246961.db2.gz NTMWAEMOBGJUOX-KRWDZBQOSA-N 2 0 330.432 -0.196 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653086 833170881 /nfs/dbraw/zinc/17/08/81/833170881.db2.gz VJMRQRJAJHDXHE-CHWSQXEVSA-N 2 0 337.424 -0.717 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939817 833313427 /nfs/dbraw/zinc/31/34/27/833313427.db2.gz KUYRDWTWUWIHNU-LSDHHAIUSA-N 2 0 332.448 -0.057 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475120 828296841 /nfs/dbraw/zinc/29/68/41/828296841.db2.gz QZEPUDCIHGQSNL-ZDUSSCGKSA-N 2 0 337.424 -0.954 20 30 EBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712745 828920939 /nfs/dbraw/zinc/92/09/39/828920939.db2.gz JWGWYTNGQVYNBD-DOTOQJQBSA-N 2 0 347.463 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684410 829660945 /nfs/dbraw/zinc/66/09/45/829660945.db2.gz IBYPJYBUXNTJMD-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118382 829900130 /nfs/dbraw/zinc/90/01/30/829900130.db2.gz KUIQWXVBTPMXKL-HNNXBMFYSA-N 2 0 348.451 -0.449 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373159 829955529 /nfs/dbraw/zinc/95/55/29/829955529.db2.gz UTAGNWJNPIQHNX-STQMWFEESA-N 2 0 341.456 -0.177 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135922865 830046884 /nfs/dbraw/zinc/04/68/84/830046884.db2.gz CHTBHEXYBCZJBH-KBPBESRZSA-N 2 0 326.441 -0.813 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147724229 830401450 /nfs/dbraw/zinc/40/14/50/830401450.db2.gz ICJBCLIYDTVBHG-GDBMZVCRSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147773989 830410020 /nfs/dbraw/zinc/41/00/20/830410020.db2.gz OLNOBANNRDKOKD-HUUCEWRRSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148845229 830547222 /nfs/dbraw/zinc/54/72/22/830547222.db2.gz ZOEROHZWLOETSV-HNNXBMFYSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)Nc2ccon2)CC1 ZINC001152330713 831153186 /nfs/dbraw/zinc/15/31/86/831153186.db2.gz TWKPVERXUOLUML-UHFFFAOYSA-N 2 0 333.392 -0.336 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421311 831653618 /nfs/dbraw/zinc/65/36/18/831653618.db2.gz UFSUYLLZXDQALE-CHWSQXEVSA-N 2 0 339.440 -0.566 20 30 EBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001160637393 831872857 /nfs/dbraw/zinc/87/28/57/831872857.db2.gz PPUXGSLUDGUKLY-ZDUSSCGKSA-N 2 0 331.424 -0.286 20 30 EBEDRP Cc1cncn1CC(=O)NCCC1=CCN(CC(=O)NCC#N)CC1 ZINC001160677085 831877611 /nfs/dbraw/zinc/87/76/11/831877611.db2.gz PLSAFGFIIUQTPC-UHFFFAOYSA-N 2 0 344.419 -0.030 20 30 EBEDRP N#C[C@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160933733 831908106 /nfs/dbraw/zinc/90/81/06/831908106.db2.gz NWFDGUHZGLIZOT-IHRRRGAJSA-N 2 0 337.424 -0.815 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872165 832068447 /nfs/dbraw/zinc/06/84/47/832068447.db2.gz IOBMTXTXBCCBQC-XYSPPFBYSA-N 2 0 348.447 -0.917 20 30 EBEDRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001164578847 832199298 /nfs/dbraw/zinc/19/92/98/832199298.db2.gz WAKLISZWNXHHSN-ZIAGYGMSSA-N 2 0 335.452 -0.158 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772367 832236982 /nfs/dbraw/zinc/23/69/82/832236982.db2.gz NRUROWYICNPGHJ-UHFFFAOYSA-N 2 0 339.440 -0.564 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579297 832566017 /nfs/dbraw/zinc/56/60/17/832566017.db2.gz STPOGNVUWWJXLT-UHFFFAOYSA-N 2 0 341.456 -0.174 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nnnn2C2CC2)CC1 ZINC001176925948 832711431 /nfs/dbraw/zinc/71/14/31/832711431.db2.gz DWFGLDPOOVIJGE-UHFFFAOYSA-N 2 0 345.451 -0.051 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817823 833969762 /nfs/dbraw/zinc/96/97/62/833969762.db2.gz KGNZAHASERNVAT-HUUCEWRRSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C2)CC1 ZINC001194247326 835059677 /nfs/dbraw/zinc/05/96/77/835059677.db2.gz WPHNZEUKNIGOMY-IAGOWNOFSA-N 2 0 337.464 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC)C2)CC1 ZINC001194246331 835059992 /nfs/dbraw/zinc/05/99/92/835059992.db2.gz LEKYBISKQNUYNE-GDBMZVCRSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200657769 836010695 /nfs/dbraw/zinc/01/06/95/836010695.db2.gz AVCJSLHKBQDZEE-JKSUJKDBSA-N 2 0 348.447 -0.820 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796382 836037810 /nfs/dbraw/zinc/03/78/10/836037810.db2.gz XFFCAXSICITMDN-HUUCEWRRSA-N 2 0 340.468 -0.164 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)CC1 ZINC001202141936 836261149 /nfs/dbraw/zinc/26/11/49/836261149.db2.gz UERKPNZDUWKAPZ-QGZVFWFLSA-N 2 0 337.464 -0.079 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612850 836453060 /nfs/dbraw/zinc/45/30/60/836453060.db2.gz ADKFUWAFTTZPNH-ZIAGYGMSSA-N 2 0 345.447 -0.261 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612855 836453100 /nfs/dbraw/zinc/45/31/00/836453100.db2.gz AFGYMDOURWVAKV-CABCVRRESA-N 2 0 344.459 -0.151 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612856 836453131 /nfs/dbraw/zinc/45/31/31/836453131.db2.gz AFGYMDOURWVAKV-GJZGRUSLSA-N 2 0 344.459 -0.151 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203732007 836468842 /nfs/dbraw/zinc/46/88/42/836468842.db2.gz UQLSVYOJIBWXRM-CABCVRRESA-N 2 0 332.448 -0.151 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208260715 836963804 /nfs/dbraw/zinc/96/38/04/836963804.db2.gz CKGZHUDZHNPLSC-ZIAGYGMSSA-N 2 0 341.431 -0.113 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685284 837320113 /nfs/dbraw/zinc/32/01/13/837320113.db2.gz RYXWVMCZQHOXQU-CABCVRRESA-N 2 0 338.452 -0.717 20 30 EBEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319575649 838152164 /nfs/dbraw/zinc/15/21/64/838152164.db2.gz YWXYMGRODFZHCG-KBPBESRZSA-N 2 0 339.440 -0.969 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575671 838152505 /nfs/dbraw/zinc/15/25/05/838152505.db2.gz ZIERVMXITKYTPF-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321710831 839059616 /nfs/dbraw/zinc/05/96/16/839059616.db2.gz UMWCKYMOHPHIKL-CHWSQXEVSA-N 2 0 339.440 -0.566 20 30 EBEDRP CC(C)(C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1)[NH+]1CCCC1 ZINC001323051029 839334796 /nfs/dbraw/zinc/33/47/96/839334796.db2.gz KFYKTTMXHCNIRA-CQSZACIVSA-N 2 0 335.452 -0.015 20 30 EBEDRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001329257150 840884067 /nfs/dbraw/zinc/88/40/67/840884067.db2.gz XPIVLPVETLFRFH-WLYUNCDWSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001331842907 841518852 /nfs/dbraw/zinc/51/88/52/841518852.db2.gz RPINAXWCSBFPKY-IRXDYDNUSA-N 2 0 337.464 -0.033 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001336444263 842462540 /nfs/dbraw/zinc/46/25/40/842462540.db2.gz XDUKIOILIKQSQF-INIZCTEOSA-N 2 0 339.440 -0.921 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001691124863 1125836235 /nfs/dbraw/zinc/83/62/35/1125836235.db2.gz YTPOTXYSSCVMFE-DAYGRLMNSA-N 2 0 332.448 -0.294 20 30 EBEDRP Cc1c(C(=O)N(C)CC[NH2+]CC(=O)NCC#N)ccc2c[nH+]cn21 ZINC001691374369 1125854935 /nfs/dbraw/zinc/85/49/35/1125854935.db2.gz XAIRRFGRHRWUMI-UHFFFAOYSA-N 2 0 328.376 -0.056 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001482368102 1126139986 /nfs/dbraw/zinc/13/99/86/1126139986.db2.gz MTIJMFOMNIBDGF-OAHLLOKOSA-N 2 0 332.448 -0.483 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482861297 1126298492 /nfs/dbraw/zinc/29/84/92/1126298492.db2.gz USFLSKBXVIDNKL-QWHCGFSZSA-N 2 0 339.440 -0.423 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482942047 1126304865 /nfs/dbraw/zinc/30/48/65/1126304865.db2.gz GPYQTSWHOIQUFJ-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP CC[C@H](C(=O)N1CC[C@@]2(CCN(CC(=O)NCC#N)C2)C1)[NH+](C)C ZINC001483843461 1126481625 /nfs/dbraw/zinc/48/16/25/1126481625.db2.gz UTBABDDKPQROGA-RHSMWYFYSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001483958714 1126492449 /nfs/dbraw/zinc/49/24/49/1126492449.db2.gz KMPAHTYNVRWUPI-MRXNPFEDSA-N 2 0 345.447 -0.448 20 30 EBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239416 1126536929 /nfs/dbraw/zinc/53/69/29/1126536929.db2.gz XQZAHNPNXGLSRA-XJKSGUPXSA-N 2 0 326.441 -0.818 20 30 EBEDRP CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001484855277 1126645012 /nfs/dbraw/zinc/64/50/12/1126645012.db2.gz NNLWOKHYLHXGGR-DOTOQJQBSA-N 2 0 325.453 -0.081 20 30 EBEDRP CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001484855280 1126645026 /nfs/dbraw/zinc/64/50/26/1126645026.db2.gz NNLWOKHYLHXGGR-RDJZCZTQSA-N 2 0 325.453 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001484892276 1126650677 /nfs/dbraw/zinc/65/06/77/1126650677.db2.gz MOACBSNSPBSRFG-GJZGRUSLSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001485962184 1126940723 /nfs/dbraw/zinc/94/07/23/1126940723.db2.gz WILISZHVMJKWOT-HIFRSBDPSA-N 2 0 348.447 -0.427 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001486167704 1127053189 /nfs/dbraw/zinc/05/31/89/1127053189.db2.gz TVCAJMRANJHJDH-HRCADAONSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691742693 1129715330 /nfs/dbraw/zinc/71/53/30/1129715330.db2.gz HAZLPFPVHFMXGQ-FPCVCCKLSA-N 2 0 334.464 -0.050 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001490902080 1130232915 /nfs/dbraw/zinc/23/29/15/1130232915.db2.gz BWAHMMMQSKCUCJ-ZQDZILKHSA-N 2 0 333.436 -0.120 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001491264624 1130377905 /nfs/dbraw/zinc/37/79/05/1130377905.db2.gz UEIIPCNFOBIJDH-CABCVRRESA-N 2 0 335.452 -0.061 20 30 EBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262759349 379238673 /nfs/dbraw/zinc/23/86/73/379238673.db2.gz COZSHRHBYAVQRO-HNNXBMFYSA-N 2 0 344.467 -0.826 20 30 EBEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261860515 379223848 /nfs/dbraw/zinc/22/38/48/379223848.db2.gz YIEPURPWHCWKRO-ZDUSSCGKSA-N 2 0 333.440 -0.262 20 30 EBEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCN(c2ncccn2)CC1 ZINC000264095962 379244774 /nfs/dbraw/zinc/24/47/74/379244774.db2.gz MPXYQHHIFCISHS-UHFFFAOYSA-N 2 0 347.467 -0.240 20 30 EBEDRP O=C1C[C@]2(CC[N@H+](CC#CC[NH+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000375329230 380837964 /nfs/dbraw/zinc/83/79/64/380837964.db2.gz YHIKFKBLORRKSR-HDICACEKSA-N 2 0 330.432 -0.586 20 30 EBEDRP COCC[NH+]1CCN(CC#CCN2CC[NH+](CCOC)CC2)CC1 ZINC000351632950 381656627 /nfs/dbraw/zinc/65/66/27/381656627.db2.gz LIKGHGDPNQIPML-UHFFFAOYSA-N 2 0 338.496 -0.482 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000526131918 421188458 /nfs/dbraw/zinc/18/84/58/421188458.db2.gz BROXRXBQNYOFJX-UHFFFAOYSA-N 2 0 349.439 -0.313 20 30 EBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000849074550 584165733 /nfs/dbraw/zinc/16/57/33/584165733.db2.gz WWASNSANUAYSPE-HUUCEWRRSA-N 2 0 325.457 -0.653 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000852879432 584218557 /nfs/dbraw/zinc/21/85/57/584218557.db2.gz WWPOAFMUNJBENR-CYBMUJFWSA-N 2 0 332.370 -0.058 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCO[C@H](COC)C1 ZINC000261782058 649984790 /nfs/dbraw/zinc/98/47/90/649984790.db2.gz FKUJOPAAFMGXBM-CABCVRRESA-N 2 0 325.457 -0.701 20 30 EBEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303876440 649993162 /nfs/dbraw/zinc/99/31/62/649993162.db2.gz FATJPVGBZMLLRJ-INIZCTEOSA-N 2 0 340.516 -0.361 20 30 EBEDRP C=C(CNC(=O)C12CC[NH+](CC1)C2)CNC(=O)C12CC[NH+](CC1)C2 ZINC000912724676 650211320 /nfs/dbraw/zinc/21/13/20/650211320.db2.gz OGVKEYGNEJFHBM-UHFFFAOYSA-N 2 0 332.448 -0.033 20 30 EBEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076626 722301394 /nfs/dbraw/zinc/30/13/94/722301394.db2.gz ITMGCBGSJVAQOA-GOEBONIOSA-N 2 0 333.436 -0.510 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000970792617 725329153 /nfs/dbraw/zinc/32/91/53/725329153.db2.gz PVQUUFKZSCANOZ-HZPDHXFCSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001019814134 728998425 /nfs/dbraw/zinc/99/84/25/728998425.db2.gz UBJSUSHVUFJBGI-INIZCTEOSA-N 2 0 332.448 -0.246 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001025814018 730095034 /nfs/dbraw/zinc/09/50/34/730095034.db2.gz BNWAWBQYKDOXMG-DMRKSPOLSA-N 2 0 344.459 -0.249 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001030019210 730535707 /nfs/dbraw/zinc/53/57/07/730535707.db2.gz RSHQHNMQFYPRDW-JYJNAYRXSA-N 2 0 332.448 -0.057 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]3C2)CC1 ZINC001049235781 734694835 /nfs/dbraw/zinc/69/48/35/734694835.db2.gz VYRXJIFKJPKFEW-BHYGNILZSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC)C[C@@H]3C2)CC1 ZINC001049235177 734695059 /nfs/dbraw/zinc/69/50/59/734695059.db2.gz LSVNFWUXZWEVLW-IYBDPMFKSA-N 2 0 332.448 -0.532 20 30 EBEDRP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578921 736392344 /nfs/dbraw/zinc/39/23/44/736392344.db2.gz ZXNUQFMEMJWYGX-UONOGXRCSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055631286 736416189 /nfs/dbraw/zinc/41/61/89/736416189.db2.gz FJNJHPNHKKJWHC-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046917 740672339 /nfs/dbraw/zinc/67/23/39/740672339.db2.gz WEXZYHJRPYFPQH-CVEARBPZSA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194898 740743735 /nfs/dbraw/zinc/74/37/35/740743735.db2.gz SVMVFHACTUHIIE-XHSDSOJGSA-N 2 0 328.420 -0.405 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194897 740743820 /nfs/dbraw/zinc/74/38/20/740743820.db2.gz SVMVFHACTUHIIE-OAGGEKHMSA-N 2 0 328.420 -0.405 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1n1ccnn1 ZINC001070333828 740789440 /nfs/dbraw/zinc/78/94/40/740789440.db2.gz YHNRTRSAALIHDR-SJORKVTESA-N 2 0 340.431 -0.402 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@H]2O)CC1 ZINC001078227257 743545630 /nfs/dbraw/zinc/54/56/30/743545630.db2.gz QSDDMKKHLORASA-BRWVUGGUSA-N 2 0 337.464 -0.082 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)CC1 ZINC001078818675 743739801 /nfs/dbraw/zinc/73/98/01/743739801.db2.gz BANFHPMXFVHHKG-HUUCEWRRSA-N 2 0 332.448 -0.166 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214646869 810269879 /nfs/dbraw/zinc/26/98/79/810269879.db2.gz ZVYOSTZYNSNQGV-VHDGCEQUSA-N 2 0 333.436 -0.596 20 30 EBEDRP N#Cc1c(N)nn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])c1N ZINC001218659677 810516827 /nfs/dbraw/zinc/51/68/27/810516827.db2.gz JMOLJPPHXABYGG-QWRGUYRKSA-N 2 0 348.411 -0.993 20 30 EBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cncc3C2)[C@@H](O)C1 ZINC001219894099 810897234 /nfs/dbraw/zinc/89/72/34/810897234.db2.gz VCMVKZXVGWFAQF-IMJJTQAJSA-N 2 0 334.420 -0.191 20 30 EBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](O)C1 ZINC001219894098 810897834 /nfs/dbraw/zinc/89/78/34/810897834.db2.gz VCMVKZXVGWFAQF-BMFZPTHFSA-N 2 0 334.420 -0.191 20 30 EBEDRP N#Cc1ccc([C@@H](C(=O)NC[C@H]2COCC[NH2+]2)N2CC[NH2+]CC2)cc1 ZINC001220431101 811105363 /nfs/dbraw/zinc/10/53/63/811105363.db2.gz AJBGNMGKJGJRIY-IRXDYDNUSA-N 2 0 343.431 -0.391 20 30 EBEDRP COC(=O)c1ccc(C(=N)NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220581892 811164278 /nfs/dbraw/zinc/16/42/78/811164278.db2.gz XGZKXRAJSMSBFL-CQSZACIVSA-N 2 0 347.419 -0.545 20 30 EBEDRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001229711152 812050185 /nfs/dbraw/zinc/05/01/85/812050185.db2.gz XXFPAIGIOFWYOP-ZIAGYGMSSA-N 2 0 339.440 -0.779 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001264096874 813149193 /nfs/dbraw/zinc/14/91/93/813149193.db2.gz VAXKWRGJGUEJMM-PMPSAXMXSA-N 2 0 334.464 -0.144 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265507751 813333720 /nfs/dbraw/zinc/33/37/20/813333720.db2.gz UCKNVYSVSBUURD-JOCQHMNTSA-N 2 0 337.424 -0.669 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001265609647 813350260 /nfs/dbraw/zinc/35/02/60/813350260.db2.gz UOEZYHAWYIVAND-QLFBSQMISA-N 2 0 335.452 -0.205 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266066657 813450322 /nfs/dbraw/zinc/45/03/22/813450322.db2.gz DQNSXQSOWPLUPQ-LSDHHAIUSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626499 813626437 /nfs/dbraw/zinc/62/64/37/813626437.db2.gz MHFKFAIMKQTWBP-FPCVCCKLSA-N 2 0 332.448 -0.011 20 30 EBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959684 813691567 /nfs/dbraw/zinc/69/15/67/813691567.db2.gz SHJSKAOJJBGOQP-YLADIXGZSA-N 2 0 333.432 -0.312 20 30 EBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303979 813836236 /nfs/dbraw/zinc/83/62/36/813836236.db2.gz CLQZNXLNDIWADE-INIZCTEOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001082941116 814029137 /nfs/dbraw/zinc/02/91/37/814029137.db2.gz QJYLVDLVEKAIEJ-DJIMGWMZSA-N 2 0 346.475 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC001268100385 814125503 /nfs/dbraw/zinc/12/55/03/814125503.db2.gz WHPBRPUJBQSOBO-GDBMZVCRSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC001268333360 814212420 /nfs/dbraw/zinc/21/24/20/814212420.db2.gz DDVFMCJQUNURSG-DOTOQJQBSA-N 2 0 337.464 -0.175 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001268630171 814329908 /nfs/dbraw/zinc/32/99/08/814329908.db2.gz GLXFZLQTWJRVRZ-QGZUEGPWSA-N 2 0 332.448 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001268630170 814329949 /nfs/dbraw/zinc/32/99/49/814329949.db2.gz GLXFZLQTWJRVRZ-QDLOVBKTSA-N 2 0 332.448 -0.128 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784550 814385188 /nfs/dbraw/zinc/38/51/88/814385188.db2.gz XKJLIOINJFKMGP-ZDUSSCGKSA-N 2 0 339.440 -0.470 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001269629085 814750388 /nfs/dbraw/zinc/75/03/88/814750388.db2.gz APOKBJHGLHPHDH-WMLDXEAASA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001270338442 815754892 /nfs/dbraw/zinc/75/48/92/815754892.db2.gz FUUJJARVWOPLLR-MRXNPFEDSA-N 2 0 325.453 -0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001270602153 815824965 /nfs/dbraw/zinc/82/49/65/815824965.db2.gz CLXUOPOPLFTDHC-ZBFHGGJFSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2cncn2C)C1 ZINC001270839953 815911510 /nfs/dbraw/zinc/91/15/10/815911510.db2.gz MKDCAPVEBWQIHT-SFHVURJKSA-N 2 0 345.447 -0.070 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2nnnn2C)CC1 ZINC001273205002 816608905 /nfs/dbraw/zinc/60/89/05/816608905.db2.gz QSWWXXDRXGWIRQ-CYBMUJFWSA-N 2 0 333.440 -0.460 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001273309396 816639969 /nfs/dbraw/zinc/63/99/69/816639969.db2.gz YFCKCFYYFUIJFM-UONOGXRCSA-N 2 0 326.441 -0.554 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001273343135 816648434 /nfs/dbraw/zinc/64/84/34/816648434.db2.gz URTIQWAQBOQUBL-HUUCEWRRSA-N 2 0 338.452 -0.553 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001273495703 816684337 /nfs/dbraw/zinc/68/43/37/816684337.db2.gz HXEIZRVVRWJRNG-CABCVRRESA-N 2 0 340.468 -0.212 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C1CC[NH+](CC#C)CC1 ZINC001273764575 816753734 /nfs/dbraw/zinc/75/37/34/816753734.db2.gz HIRBALIWLMBWFA-UHFFFAOYSA-N 2 0 332.448 -0.481 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001278684932 817793622 /nfs/dbraw/zinc/79/36/22/817793622.db2.gz OOPCTTDDIGOPER-CQSZACIVSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]Cc2ccnn2C)CC1 ZINC001278839072 817859116 /nfs/dbraw/zinc/85/91/16/817859116.db2.gz NPJAAJLSPQXWMC-QGZVFWFLSA-N 2 0 347.463 -0.326 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001278840698 817859599 /nfs/dbraw/zinc/85/95/99/817859599.db2.gz ZGAVYHJJZDQJSR-HOTGVXAUSA-N 2 0 325.453 -0.081 20 30 EBEDRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C1 ZINC001282960054 818550144 /nfs/dbraw/zinc/55/01/44/818550144.db2.gz XNDHYIHULZHRTD-RRFJBIMHSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001283043031 818604095 /nfs/dbraw/zinc/60/40/95/818604095.db2.gz BUCATAJUJNJQEQ-YHUYYLMFSA-N 2 0 334.464 -0.050 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100335427 820364865 /nfs/dbraw/zinc/36/48/65/820364865.db2.gz ZQFLWPGLUQKAKZ-PESDSKBTSA-N 2 0 333.436 -0.548 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100377887 820385689 /nfs/dbraw/zinc/38/56/89/820385689.db2.gz ODHTVYMWCNRYJG-JXQTWKCFSA-N 2 0 341.431 -0.210 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100378282 820386001 /nfs/dbraw/zinc/38/60/01/820386001.db2.gz UZQOMWAAGKKNSX-YMAMQOFZSA-N 2 0 340.443 -0.100 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001101024931 820654431 /nfs/dbraw/zinc/65/44/31/820654431.db2.gz MYDBGEPXTIFVKM-UHFFFAOYSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102049883 821012395 /nfs/dbraw/zinc/01/23/95/821012395.db2.gz ILGMFRCVJLMFCX-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102090981 821023635 /nfs/dbraw/zinc/02/36/35/821023635.db2.gz MPRMAEVXRGETPP-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317213588 822038105 /nfs/dbraw/zinc/03/81/05/822038105.db2.gz DUBDPAHEEQTBQQ-NPCUJANDSA-N 2 0 332.448 -0.488 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001317310001 822078691 /nfs/dbraw/zinc/07/86/91/822078691.db2.gz DDGZWFHTVSYIHL-HNNXBMFYSA-N 2 0 341.477 -0.433 20 30 EBEDRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106881409 822347830 /nfs/dbraw/zinc/34/78/30/822347830.db2.gz DVGMDOWKZKYFTH-QLFBSQMISA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106881615 822348134 /nfs/dbraw/zinc/34/81/34/822348134.db2.gz GRJDIIACIATDIY-HUUCEWRRSA-N 2 0 332.448 -0.484 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821501 824442053 /nfs/dbraw/zinc/44/20/53/824442053.db2.gz NBROKYSEGIYVCT-KKUMJFAQSA-N 2 0 333.436 -0.309 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NCCNCc1cn(CC2CC2)nn1 ZINC001129770198 828666599 /nfs/dbraw/zinc/66/65/99/828666599.db2.gz CMDIBZAEVYPMCF-INIZCTEOSA-N 2 0 330.436 -0.009 20 30 EBEDRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112285323 825418380 /nfs/dbraw/zinc/41/83/80/825418380.db2.gz SVUYYDXTSSGSOF-MPGHIAIKSA-N 2 0 347.463 -0.061 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114263555 826186390 /nfs/dbraw/zinc/18/63/90/826186390.db2.gz XDDZNMSUEKVYIW-CTASWTNQSA-N 2 0 333.436 -0.455 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179929812 833027787 /nfs/dbraw/zinc/02/77/87/833027787.db2.gz VZZFGRNTAVALEI-KBPBESRZSA-N 2 0 326.441 -0.554 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001121774065 827446783 /nfs/dbraw/zinc/44/67/83/827446783.db2.gz XJRHUAKKWCGUKN-RWQKBRBCSA-N 2 0 347.463 -0.015 20 30 EBEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121772860 827446833 /nfs/dbraw/zinc/44/68/33/827446833.db2.gz IZUXCNZCMRJDFY-AKTUJNGQSA-N 2 0 347.463 -0.159 20 30 EBEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001121928578 827484336 /nfs/dbraw/zinc/48/43/36/827484336.db2.gz QQLQUZQFYVSMTR-UHFFFAOYSA-N 2 0 330.436 -0.282 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177486 827537025 /nfs/dbraw/zinc/53/70/25/827537025.db2.gz DHOANEVDIZMWTJ-OQDWRCPYSA-N 2 0 332.448 -0.296 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177487 827537205 /nfs/dbraw/zinc/53/72/05/827537205.db2.gz DHOANEVDIZMWTJ-RWQKBRBCSA-N 2 0 332.448 -0.296 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184434365 833330192 /nfs/dbraw/zinc/33/01/92/833330192.db2.gz WUDKCDZLYKCDHL-GARNVTTQSA-N 2 0 333.432 -0.310 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551584 833333404 /nfs/dbraw/zinc/33/34/04/833333404.db2.gz QXSFQSZQRZKFKS-GDBMZVCRSA-N 2 0 333.436 -0.309 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525837 829154451 /nfs/dbraw/zinc/15/44/51/829154451.db2.gz NAUNTURLFKUFPE-PEUXKQIOSA-N 2 0 336.436 -0.754 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1=O ZINC001132848284 829533178 /nfs/dbraw/zinc/53/31/78/829533178.db2.gz DASAIFIFNLQWSU-CABCVRRESA-N 2 0 338.452 -0.412 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852142 829536754 /nfs/dbraw/zinc/53/67/54/829536754.db2.gz IKVMYUDHXBFOAJ-UONOGXRCSA-N 2 0 326.441 -0.508 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133246316 829610117 /nfs/dbraw/zinc/61/01/17/829610117.db2.gz USNMHRQDWUHGMT-HZPDHXFCSA-N 2 0 346.475 -0.094 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021202 829714090 /nfs/dbraw/zinc/71/40/90/829714090.db2.gz UXUXUORTRRHSCK-HUUCEWRRSA-N 2 0 340.468 -0.116 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780461 829845364 /nfs/dbraw/zinc/84/53/64/829845364.db2.gz HYJAWLHFXXPEOD-UHFFFAOYSA-N 2 0 339.440 -0.564 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001211306486 837426267 /nfs/dbraw/zinc/42/62/67/837426267.db2.gz CJXSWBOWFDBUKG-HYVNUMGLSA-N 2 0 337.464 -0.225 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146581540 830209298 /nfs/dbraw/zinc/20/92/98/830209298.db2.gz CRVJHLIDVPVLHT-JKSUJKDBSA-N 2 0 346.475 -0.046 20 30 EBEDRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001147411039 830339468 /nfs/dbraw/zinc/33/94/68/830339468.db2.gz YLMJYDCQSMVULX-QGZVFWFLSA-N 2 0 331.420 -0.191 20 30 EBEDRP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589499 830940305 /nfs/dbraw/zinc/94/03/05/830940305.db2.gz URHQLUYPNDYTIE-MRXNPFEDSA-N 2 0 343.468 -0.026 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151160828 831036462 /nfs/dbraw/zinc/03/64/62/831036462.db2.gz ZKKMDEIMGBKJPY-KBPBESRZSA-N 2 0 326.441 -0.649 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822112 831433477 /nfs/dbraw/zinc/43/34/77/831433477.db2.gz ITRRYCVXSZSCPH-STQMWFEESA-N 2 0 339.440 -0.423 20 30 EBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c1 ZINC001158091492 831626991 /nfs/dbraw/zinc/62/69/91/831626991.db2.gz DGEPSPWNJQLUKM-WMLDXEAASA-N 2 0 327.388 -0.881 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158162287 831633262 /nfs/dbraw/zinc/63/32/62/831633262.db2.gz WXYHEIOQMSRWTE-DYEKYZERSA-N 2 0 331.438 -0.562 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889448 831903793 /nfs/dbraw/zinc/90/37/93/831903793.db2.gz JRXUOEOPCBMDER-QWHCGFSZSA-N 2 0 341.456 -0.177 20 30 EBEDRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160951411 831909304 /nfs/dbraw/zinc/90/93/04/831909304.db2.gz JVYOZLHRQQRCNA-UHFFFAOYSA-N 2 0 339.440 -0.920 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164535809 832195005 /nfs/dbraw/zinc/19/50/05/832195005.db2.gz GNDSJQYMBVJWKT-HUUCEWRRSA-N 2 0 340.468 -0.118 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164535810 832195087 /nfs/dbraw/zinc/19/50/87/832195087.db2.gz GNDSJQYMBVJWKT-LSDHHAIUSA-N 2 0 340.468 -0.118 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164535677 832195189 /nfs/dbraw/zinc/19/51/89/832195189.db2.gz AFEJAKJCSHUNFE-GJZGRUSLSA-N 2 0 338.452 -0.671 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164538926 832195956 /nfs/dbraw/zinc/19/59/56/832195956.db2.gz PYHNMYJMJRMBNG-AWEZNQCLSA-N 2 0 326.441 -0.506 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851877 832294219 /nfs/dbraw/zinc/29/42/19/832294219.db2.gz JRXUOEOPCBMDER-OLZOCXBDSA-N 2 0 341.456 -0.177 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232411 832318993 /nfs/dbraw/zinc/31/89/93/832318993.db2.gz BNWKDEKNXOHZLL-HNNXBMFYSA-N 2 0 334.464 -0.046 20 30 EBEDRP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746781 832370216 /nfs/dbraw/zinc/37/02/16/832370216.db2.gz ZLAODWBVNIVJSY-UHFFFAOYSA-N 2 0 333.436 -0.402 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176118668 832658014 /nfs/dbraw/zinc/65/80/14/832658014.db2.gz PSBWHSHAGNOXPC-ZDUSSCGKSA-N 2 0 339.440 -0.422 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)CC[N@@H+]1C ZINC001178736348 832907111 /nfs/dbraw/zinc/90/71/11/832907111.db2.gz WBTUSHNPXPNYJM-ZQDZILKHSA-N 2 0 335.452 -0.065 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817549 833970063 /nfs/dbraw/zinc/97/00/63/833970063.db2.gz HAMDRNWTCQKFHX-QWHCGFSZSA-N 2 0 337.424 -0.860 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851841 833973880 /nfs/dbraw/zinc/97/38/80/833973880.db2.gz WKMGPSGIIVQKKM-LSDHHAIUSA-N 2 0 338.452 -0.553 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488058 834887946 /nfs/dbraw/zinc/88/79/46/834887946.db2.gz LMIORPVXZMWSEX-CABCVRRESA-N 2 0 340.468 -0.212 20 30 EBEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832388 835154806 /nfs/dbraw/zinc/15/48/06/835154806.db2.gz NTPBLUYKKGZTBB-DSZOFWSKSA-N 2 0 335.448 -0.023 20 30 EBEDRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001201430022 836145549 /nfs/dbraw/zinc/14/55/49/836145549.db2.gz LDUHAIGDFIIESG-KGLIPLIRSA-N 2 0 339.440 -0.827 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440905 836147302 /nfs/dbraw/zinc/14/73/02/836147302.db2.gz OTKDBVUFAKEVPX-UHFFFAOYSA-N 2 0 332.448 -0.055 20 30 EBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871198 836209433 /nfs/dbraw/zinc/20/94/33/836209433.db2.gz HJQJOPOFVWENOV-MRXNPFEDSA-N 2 0 335.448 -0.061 20 30 EBEDRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201924241 836216652 /nfs/dbraw/zinc/21/66/52/836216652.db2.gz GOARQRUXDXANKH-CQSZACIVSA-N 2 0 339.440 -0.825 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059894 836244892 /nfs/dbraw/zinc/24/48/92/836244892.db2.gz SKXXCVJWVYAZNQ-CABCVRRESA-N 2 0 338.452 -0.553 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=O)NCC#N)C23CCC3)CC1 ZINC001203333905 836420948 /nfs/dbraw/zinc/42/09/48/836420948.db2.gz WTKFKGOWNPHBMK-LSDHHAIUSA-N 2 0 347.463 -0.015 20 30 EBEDRP C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203326642 836421114 /nfs/dbraw/zinc/42/11/14/836421114.db2.gz VEVDEZDIRWZFIH-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203576949 836449120 /nfs/dbraw/zinc/44/91/20/836449120.db2.gz LTQQITRYLKJHLW-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206274230 836635624 /nfs/dbraw/zinc/63/56/24/836635624.db2.gz FIPZNWBAJMWIQR-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445141 837167430 /nfs/dbraw/zinc/16/74/30/837167430.db2.gz LHYCNHVYYXGYQC-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001209962958 837219503 /nfs/dbraw/zinc/21/95/03/837219503.db2.gz DIVBAPCUYYYEGZ-HNNXBMFYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210667574 837316837 /nfs/dbraw/zinc/31/68/37/837316837.db2.gz HAPILHRYOHGJSZ-GJZGRUSLSA-N 2 0 340.468 -0.164 20 30 EBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)C1 ZINC001320261919 838734255 /nfs/dbraw/zinc/73/42/55/838734255.db2.gz FSCNYGOOHDJXKT-JKSUJKDBSA-N 2 0 325.453 -0.175 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2cc(C)n(C)n2)CC1 ZINC001320317831 838757370 /nfs/dbraw/zinc/75/73/70/838757370.db2.gz RXTBEPWHGNOXNU-QGZVFWFLSA-N 2 0 347.463 -0.360 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001323001585 839317760 /nfs/dbraw/zinc/31/77/60/839317760.db2.gz YWQQJIAFOIIKIP-CABCVRRESA-N 2 0 333.436 -0.548 20 30 EBEDRP CC(C)(C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1)[NH+]1CCCC1 ZINC001323051028 839334965 /nfs/dbraw/zinc/33/49/65/839334965.db2.gz KFYKTTMXHCNIRA-AWEZNQCLSA-N 2 0 335.452 -0.015 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001324518063 839669619 /nfs/dbraw/zinc/66/96/19/839669619.db2.gz PATNBMNODMRSED-HNNXBMFYSA-N 2 0 335.452 -0.013 20 30 EBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001324813497 839718893 /nfs/dbraw/zinc/71/88/93/839718893.db2.gz OAOBPUXVOPTXFB-WMLDXEAASA-N 2 0 335.452 -0.204 20 30 EBEDRP COCC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 ZINC001326578993 840138716 /nfs/dbraw/zinc/13/87/16/840138716.db2.gz GRGPNMCAGHFMTR-MRXNPFEDSA-N 2 0 335.448 -0.109 20 30 EBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001327593684 840468386 /nfs/dbraw/zinc/46/83/86/840468386.db2.gz YZYNLWQIRCKUPR-SJLPKXTDSA-N 2 0 337.464 -0.079 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001328199280 840618803 /nfs/dbraw/zinc/61/88/03/840618803.db2.gz RWHYDXHKULWKPW-AWEZNQCLSA-N 2 0 340.468 -0.428 20 30 EBEDRP C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329363979 840902621 /nfs/dbraw/zinc/90/26/21/840902621.db2.gz AOWICOLKSMJDBV-IAGOWNOFSA-N 2 0 346.475 -0.331 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCCN(CC(=O)NCC#N)C3)C1 ZINC001330511742 841224287 /nfs/dbraw/zinc/22/42/87/841224287.db2.gz GGEROAFPQNHKNS-AWEZNQCLSA-N 2 0 333.436 -0.498 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](F)(C#N)C1 ZINC001331055817 841325250 /nfs/dbraw/zinc/32/52/50/841325250.db2.gz FHDQXVYLUANCDQ-HNNXBMFYSA-N 2 0 327.404 -0.598 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001332065346 841562614 /nfs/dbraw/zinc/56/26/14/841562614.db2.gz RJFRQYQDXWGMJT-GOEBONIOSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001332065351 841562995 /nfs/dbraw/zinc/56/29/95/841562995.db2.gz RJFRQYQDXWGMJT-ZBFHGGJFSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC001332115434 841576060 /nfs/dbraw/zinc/57/60/60/841576060.db2.gz DBAOYWLGYFHELD-RLFYNMQTSA-N 2 0 332.448 -0.199 20 30 EBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001332928019 841766755 /nfs/dbraw/zinc/76/67/55/841766755.db2.gz AOVOYJJDHDUJDW-HZPDHXFCSA-N 2 0 337.468 -0.080 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2nccn2C)CC1 ZINC001482798946 1126294543 /nfs/dbraw/zinc/29/45/43/1126294543.db2.gz MDHQXBJBHTXHTH-OAHLLOKOSA-N 2 0 333.436 -0.668 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483257762 1126410966 /nfs/dbraw/zinc/41/09/66/1126410966.db2.gz MCSSAJYJWUCNDW-STQMWFEESA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCOCCO)C2)CC1 ZINC001484070154 1126504841 /nfs/dbraw/zinc/50/48/41/1126504841.db2.gz CVSLAUQBJLNRSP-GOSISDBHSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]C[C@H](O)COC)C1 ZINC001484098134 1126506037 /nfs/dbraw/zinc/50/60/37/1126506037.db2.gz NGNBPYVHCDCKPU-XYJFISCASA-N 2 0 337.464 -0.081 20 30 EBEDRP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001488916416 1128879915 /nfs/dbraw/zinc/87/99/15/1128879915.db2.gz URMONQHHGLGXCM-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001489206460 1128931612 /nfs/dbraw/zinc/93/16/12/1128931612.db2.gz RZGRPRXKJIMQEJ-CVEARBPZSA-N 2 0 334.464 -0.142 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001490902068 1130232458 /nfs/dbraw/zinc/23/24/58/1130232458.db2.gz BWAHMMMQSKCUCJ-AJNGGQMLSA-N 2 0 333.436 -0.120 20 30 EBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[NH3+] ZINC000419837828 379344951 /nfs/dbraw/zinc/34/49/51/379344951.db2.gz MXAALJPMDLPBGW-UHFFFAOYSA-N 2 0 331.420 -0.087 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627386788 379576190 /nfs/dbraw/zinc/57/61/90/379576190.db2.gz XLDDDAFNELLPHI-UHFFFAOYSA-N 2 0 326.441 -0.423 20 30 EBEDRP C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567745018 380540810 /nfs/dbraw/zinc/54/08/10/380540810.db2.gz QSOUZPCNIBUWJM-GJZGRUSLSA-N 2 0 340.468 -0.355 20 30 EBEDRP CNC(=O)[C@]1(C)CC[N@H+](CC#CC[NH+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000342134805 380756096 /nfs/dbraw/zinc/75/60/96/380756096.db2.gz SEVUOUJGAXFYCZ-HDICACEKSA-N 2 0 334.464 -0.094 20 30 EBEDRP O=C1NCC[C@]12CCCN2CC#CCN1CCC[C@@]12CCNC2=O ZINC000520425064 545966872 /nfs/dbraw/zinc/96/68/72/545966872.db2.gz JMBULWAVIHGZST-HDICACEKSA-N 2 0 330.432 -0.301 20 30 EBEDRP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000125293742 584489919 /nfs/dbraw/zinc/48/99/19/584489919.db2.gz QOZWCFIEKPKBRO-ZDUSSCGKSA-N 2 0 331.486 -0.471 20 30 EBEDRP C#CCN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000890362702 584694257 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EBEDRP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC000999975870 726546293 /nfs/dbraw/zinc/54/62/93/726546293.db2.gz RMCKFDRDHFVZPQ-GJZGRUSLSA-N 2 0 332.408 -0.895 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001016335851 728458165 /nfs/dbraw/zinc/45/81/65/728458165.db2.gz GLQWYVQRSCOQMF-INIZCTEOSA-N 2 0 347.463 -0.453 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001021089236 729281728 /nfs/dbraw/zinc/28/17/28/729281728.db2.gz BZWMIKVEGXGNFF-WKILWMFISA-N 2 0 347.463 -0.406 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001021090568 729281841 /nfs/dbraw/zinc/28/18/41/729281841.db2.gz ZDLJWQCUCHSVDN-RBSFLKMASA-N 2 0 346.431 -0.626 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncnn3C)C2)CC1 ZINC001021092057 729282166 /nfs/dbraw/zinc/28/21/66/729282166.db2.gz CVFZNWDHFHKDQG-SHTZXODSSA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001023128699 729614710 /nfs/dbraw/zinc/61/47/10/729614710.db2.gz PCYKQSNWTPWXIU-OKILXGFUSA-N 2 0 346.435 -0.810 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001029004516 730382956 /nfs/dbraw/zinc/38/29/56/730382956.db2.gz YFPVCPZXXLCMFO-GJZGRUSLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCNC2=O)CC1 ZINC001029596297 730412522 /nfs/dbraw/zinc/41/25/22/730412522.db2.gz ITGMGHQYDZOKMF-IXDOHACOSA-N 2 0 344.459 -0.105 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CC1 ZINC001046085232 733857550 /nfs/dbraw/zinc/85/75/50/733857550.db2.gz FMXLSBGQOLDDCO-GOSISDBHSA-N 2 0 348.491 -0.458 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@@H]3C2)CC1 ZINC001049234600 734695066 /nfs/dbraw/zinc/69/50/66/734695066.db2.gz GGVHHENHUYRJGT-CWRNSKLLSA-N 2 0 332.448 -0.404 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076604532 742509562 /nfs/dbraw/zinc/50/95/62/742509562.db2.gz KNZJOAMQTWEOGA-YESZJQIVSA-N 2 0 344.459 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2O)CC1 ZINC001078227258 743545515 /nfs/dbraw/zinc/54/55/15/743545515.db2.gz QSDDMKKHLORASA-GVDBMIGSSA-N 2 0 337.464 -0.082 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401856 810371319 /nfs/dbraw/zinc/37/13/19/810371319.db2.gz PPIIVZJXWBQUKA-ZIAGYGMSSA-N 2 0 326.441 -0.697 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409870 810373041 /nfs/dbraw/zinc/37/30/41/810373041.db2.gz NGCKXZSBQZJURU-RBSFLKMASA-N 2 0 332.448 -0.343 20 30 EBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218636913 810513707 /nfs/dbraw/zinc/51/37/07/810513707.db2.gz AZMIKESWQVXHBW-MLGOLLRUSA-N 2 0 336.359 -0.390 20 30 EBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC001263163155 813109288 /nfs/dbraw/zinc/10/92/88/813109288.db2.gz INBHUNYKIUSRRQ-CQSZACIVSA-N 2 0 330.436 -0.252 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001263863790 813130246 /nfs/dbraw/zinc/13/02/46/813130246.db2.gz DQCZJHCUBIJSBA-XUXIUFHCSA-N 2 0 349.435 -0.848 20 30 EBEDRP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001263918108 813134561 /nfs/dbraw/zinc/13/45/61/813134561.db2.gz PKEYSIFHMBZYNM-DZGCQCFKSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001265072859 813236208 /nfs/dbraw/zinc/23/62/08/813236208.db2.gz ICEIULMMGAZYBX-OAHLLOKOSA-N 2 0 348.447 -0.425 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265422658 813321909 /nfs/dbraw/zinc/32/19/09/813321909.db2.gz VJMRQRJAJHDXHE-QWHCGFSZSA-N 2 0 337.424 -0.717 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001267070288 813751290 /nfs/dbraw/zinc/75/12/90/813751290.db2.gz KOOYEALFUYGHFS-INIZCTEOSA-N 2 0 344.459 -0.481 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001267456545 813902484 /nfs/dbraw/zinc/90/24/84/813902484.db2.gz AWCSUWOVXFKQNO-UHFFFAOYSA-N 2 0 335.452 -0.108 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001082941558 814028782 /nfs/dbraw/zinc/02/87/82/814028782.db2.gz XOWJIOYRXGAZAK-FVQBIDKESA-N 2 0 332.448 -0.343 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](C)O)C[C@@H]32)CC1 ZINC001083283604 814262821 /nfs/dbraw/zinc/26/28/21/814262821.db2.gz KMECEVGAZKUUIM-HYVNUMGLSA-N 2 0 335.448 -0.376 20 30 EBEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654737 814665472 /nfs/dbraw/zinc/66/54/72/814665472.db2.gz DLUQLUJOVRNHBY-PLQZLIEUSA-N 2 0 335.448 -0.023 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001269646585 814755917 /nfs/dbraw/zinc/75/59/17/814755917.db2.gz YYPACDVWEYINQF-KDOFPFPSSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001270604999 815826763 /nfs/dbraw/zinc/82/67/63/815826763.db2.gz UVEMRSCDEFTZNY-CQSZACIVSA-N 2 0 333.436 -0.687 20 30 EBEDRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CCOCC1)[NH+](C)C ZINC001271044554 815967151 /nfs/dbraw/zinc/96/71/51/815967151.db2.gz SCLPCQWFAFQJDG-CYBMUJFWSA-N 2 0 339.440 -0.779 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC#CCOC)C2)CC[N@@H+]1C ZINC001271145568 816002026 /nfs/dbraw/zinc/00/20/26/816002026.db2.gz NDHSVLPXERIVQT-LZLYRXPVSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001271426504 816103600 /nfs/dbraw/zinc/10/36/00/816103600.db2.gz MGFJZTDAJLAYKL-GJZGRUSLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001271502156 816124581 /nfs/dbraw/zinc/12/45/81/816124581.db2.gz ZINYVRVLHLIZTN-CHWSQXEVSA-N 2 0 332.408 -0.191 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001271887801 816244190 /nfs/dbraw/zinc/24/41/90/816244190.db2.gz QHPGCYOXGSFEPJ-HRCADAONSA-N 2 0 334.464 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@H](C)c2nncn2C)CC1 ZINC001272584438 816486103 /nfs/dbraw/zinc/48/61/03/816486103.db2.gz OGYZTUUKHIWILW-HIFRSBDPSA-N 2 0 348.451 -0.712 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001273114087 816589692 /nfs/dbraw/zinc/58/96/92/816589692.db2.gz PULFHZKJHQHTNH-UHFFFAOYSA-N 2 0 332.448 -0.007 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001273343136 816648897 /nfs/dbraw/zinc/64/88/97/816648897.db2.gz URTIQWAQBOQUBL-LSDHHAIUSA-N 2 0 338.452 -0.553 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001273365326 816654902 /nfs/dbraw/zinc/65/49/02/816654902.db2.gz FVVRKTVKFMOAMX-GJZGRUSLSA-N 2 0 340.468 -0.166 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCN2CCNC2=O)CC1 ZINC001273765813 816753684 /nfs/dbraw/zinc/75/36/84/816753684.db2.gz SFWAKWQGDKGURD-UHFFFAOYSA-N 2 0 349.479 -0.205 20 30 EBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001274520054 816990795 /nfs/dbraw/zinc/99/07/95/816990795.db2.gz FZARICHAMLDRFC-UHFFFAOYSA-N 2 0 333.436 -0.365 20 30 EBEDRP COCC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813647 817478098 /nfs/dbraw/zinc/47/80/98/817478098.db2.gz PTMPQSUZPKHNHR-HZPDHXFCSA-N 2 0 335.448 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001278728721 817799757 /nfs/dbraw/zinc/79/97/57/817799757.db2.gz SFOFOTKFCGCSDI-UHFFFAOYSA-N 2 0 348.447 -0.913 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001278828550 817855373 /nfs/dbraw/zinc/85/53/73/817855373.db2.gz OQENQZHLXAJNOT-APWZRJJASA-N 2 0 349.475 -0.079 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001278859620 817870579 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SWRCXSZASNYGRR-IRXDYDNUSA-N 2 0 335.448 -0.232 20 30 EBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001098562219 819246172 /nfs/dbraw/zinc/24/61/72/819246172.db2.gz UNBFYQBNXIKHAK-MRXNPFEDSA-N 2 0 337.464 -0.127 20 30 EBEDRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100680718 820510363 /nfs/dbraw/zinc/51/03/63/820510363.db2.gz AYEQCVGBTGNDOV-UHFFFAOYSA-N 2 0 335.452 -0.158 20 30 EBEDRP CN(C)c1cc[nH+]cc1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100875996 820586779 /nfs/dbraw/zinc/58/67/79/820586779.db2.gz FTEKPJNQVLXFGP-UHFFFAOYSA-N 2 0 344.419 -0.115 20 30 EBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326905 821694252 /nfs/dbraw/zinc/69/42/52/821694252.db2.gz LHNVVBHEKKGDEW-CJNGLKHVSA-N 2 0 330.436 -0.028 20 30 EBEDRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316660910 821826803 /nfs/dbraw/zinc/82/68/03/821826803.db2.gz VYBVPWCOBQVMAA-QLFBSQMISA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317069100 821993035 /nfs/dbraw/zinc/99/30/35/821993035.db2.gz FHQUCBGFJXEAER-RDJZCZTQSA-N 2 0 344.459 -0.340 20 30 EBEDRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001317092529 822001212 /nfs/dbraw/zinc/00/12/12/822001212.db2.gz DFPXAXBJCOGTNC-IIAWOOMASA-N 2 0 335.452 -0.017 20 30 EBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878394 822347425 /nfs/dbraw/zinc/34/74/25/822347425.db2.gz OVDDRPHMZYPZJZ-HZPDHXFCSA-N 2 0 325.453 -0.102 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CC(=O)NCC#N)CCCC2)C1 ZINC001318655355 822348092 /nfs/dbraw/zinc/34/80/92/822348092.db2.gz ZDGPWOGIDRDDRE-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129454103 828621126 /nfs/dbraw/zinc/62/11/26/828621126.db2.gz DRVQWALDNWERTE-AAEUAGOBSA-N 2 0 339.440 -0.567 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129454104 828621172 /nfs/dbraw/zinc/62/11/72/828621172.db2.gz DRVQWALDNWERTE-DGCLKSJQSA-N 2 0 339.440 -0.567 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001130251179 828767275 /nfs/dbraw/zinc/76/72/75/828767275.db2.gz HAJSPHBPQATDIO-KBPBESRZSA-N 2 0 348.451 -0.144 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130305812 828777899 /nfs/dbraw/zinc/77/78/99/828777899.db2.gz LUQSBPGIUJMEHM-CHWSQXEVSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112522732 825453778 /nfs/dbraw/zinc/45/37/78/825453778.db2.gz LYMWAJXZWAZGTK-YJBOKZPZSA-N 2 0 334.464 -0.094 20 30 EBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001114952656 826380621 /nfs/dbraw/zinc/38/06/21/826380621.db2.gz YYHZKFJEXCXEMU-FVQHAEBGSA-N 2 0 345.447 -0.246 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712730 828920828 /nfs/dbraw/zinc/92/08/28/828920828.db2.gz JCOMIZYANQKSSL-GOEBONIOSA-N 2 0 333.436 -0.485 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248435 833351188 /nfs/dbraw/zinc/35/11/88/833351188.db2.gz FNZSWIOZAZPJAI-CYBMUJFWSA-N 2 0 339.440 -0.470 20 30 EBEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185679764 833366876 /nfs/dbraw/zinc/36/68/76/833366876.db2.gz BNKFFQMSKBKPMM-LSDHHAIUSA-N 2 0 335.452 -0.204 20 30 EBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185679762 833366899 /nfs/dbraw/zinc/36/68/99/833366899.db2.gz BNKFFQMSKBKPMM-HUUCEWRRSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525838 829154123 /nfs/dbraw/zinc/15/41/23/829154123.db2.gz NAUNTURLFKUFPE-SMOJQAGNSA-N 2 0 336.436 -0.754 20 30 EBEDRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133850091 829686346 /nfs/dbraw/zinc/68/63/46/829686346.db2.gz IWRGAOYVZLMGTM-HNNXBMFYSA-N 2 0 327.404 -0.456 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001211234263 837412556 /nfs/dbraw/zinc/41/25/56/837412556.db2.gz WXJAJYOIJBIRJD-CQSZACIVSA-N 2 0 349.435 -0.893 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147225701 830303608 /nfs/dbraw/zinc/30/36/08/830303608.db2.gz SWMBDGIXFLPSPH-LSDHHAIUSA-N 2 0 332.448 -0.247 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148577870 830512137 /nfs/dbraw/zinc/51/21/37/830512137.db2.gz HEXYTZDIPYUJBN-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP N#Cc1nccnc1N1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160635695 831872767 /nfs/dbraw/zinc/87/27/67/831872767.db2.gz BSEWOEZWFGXERU-AWEZNQCLSA-N 2 0 329.408 -0.676 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164535678 832195124 /nfs/dbraw/zinc/19/51/24/832195124.db2.gz AFEJAKJCSHUNFE-HUUCEWRRSA-N 2 0 338.452 -0.671 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164582326 832199830 /nfs/dbraw/zinc/19/98/30/832199830.db2.gz IEXOKPICTDMCPX-HUUCEWRRSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367340 832217987 /nfs/dbraw/zinc/21/79/87/832217987.db2.gz STSKVPANHNYGMS-UHFFFAOYSA-N 2 0 327.429 -0.564 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C1=O ZINC001171205197 832550648 /nfs/dbraw/zinc/55/06/48/832550648.db2.gz QMYYJVGUFGBZQN-AWEZNQCLSA-N 2 0 326.441 -0.553 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160390 832660223 /nfs/dbraw/zinc/66/02/23/832660223.db2.gz CXLJJJRJVAZNEB-GJZGRUSLSA-N 2 0 338.452 -0.812 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001178813172 832916102 /nfs/dbraw/zinc/91/61/02/832916102.db2.gz ALKBUJKNSAQTIZ-MJBXVCDLSA-N 2 0 341.431 -0.115 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107078 833901387 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WTKFKGOWNPHBMK-GJZGRUSLSA-N 2 0 347.463 -0.015 20 30 EBEDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203641016 836456708 /nfs/dbraw/zinc/45/67/08/836456708.db2.gz MBIDHJOELQMIBX-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001203870066 836484519 /nfs/dbraw/zinc/48/45/19/836484519.db2.gz VUPCHXXHKNRUTI-UHFFFAOYSA-N 2 0 344.459 -0.338 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208056134 836937774 /nfs/dbraw/zinc/93/77/74/836937774.db2.gz KLMKAVAJRQJDSJ-LSDHHAIUSA-N 2 0 333.436 -0.451 20 30 EBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001319575651 838152545 /nfs/dbraw/zinc/15/25/45/838152545.db2.gz YWXYMGRODFZHCG-UONOGXRCSA-N 2 0 339.440 -0.969 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001323871202 839548603 /nfs/dbraw/zinc/54/86/03/839548603.db2.gz BHSBHSJNKWRECH-GOSISDBHSA-N 2 0 332.448 -0.244 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001325347067 839850502 /nfs/dbraw/zinc/85/05/02/839850502.db2.gz AMQGKGFXVVOMKB-BPUTZDHNSA-N 2 0 347.463 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001325437927 839866599 /nfs/dbraw/zinc/86/65/99/839866599.db2.gz MRWBOLBMHQQLJN-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001326351119 840090342 /nfs/dbraw/zinc/09/03/42/840090342.db2.gz FJIFJAZJDCXFLK-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001336580804 842499782 /nfs/dbraw/zinc/49/97/82/842499782.db2.gz DTTKBRFTPPPMMN-HNNXBMFYSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001691123806 1125835747 /nfs/dbraw/zinc/83/57/47/1125835747.db2.gz OQOCCPDVDOHWKT-KFWWJZLASA-N 2 0 332.448 -0.296 20 30 EBEDRP C[NH+](CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001481488453 1126002162 /nfs/dbraw/zinc/00/21/62/1126002162.db2.gz SZCPSMOVKQDYBX-AWEZNQCLSA-N 2 0 335.452 -0.109 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001481728547 1126046622 /nfs/dbraw/zinc/04/66/22/1126046622.db2.gz MQIXMUYJCQZESA-UONOGXRCSA-N 2 0 341.431 -0.161 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)Nc1cnccn1 ZINC001483236998 1126385680 /nfs/dbraw/zinc/38/56/80/1126385680.db2.gz XDLVTPCMNHQLSY-KBPBESRZSA-N 2 0 344.419 -0.393 20 30 EBEDRP C#CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CCOCC1 ZINC001484189099 1126514362 /nfs/dbraw/zinc/51/43/62/1126514362.db2.gz JCKPECPRNQOVRK-UHFFFAOYSA-N 2 0 333.436 -0.054 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C2)CC1 ZINC001484356275 1126565089 /nfs/dbraw/zinc/56/50/89/1126565089.db2.gz BQCJWXZLGBMGBV-ZBFHGGJFSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001484414835 1126571909 /nfs/dbraw/zinc/57/19/09/1126571909.db2.gz DHHMGWWQHXZSCH-QXSJWSMHSA-N 2 0 332.448 -0.534 20 30 EBEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001484691576 1126619743 /nfs/dbraw/zinc/61/97/43/1126619743.db2.gz PSGGXAWPQZCACD-INIZCTEOSA-N 2 0 333.436 -0.101 20 30 EBEDRP C[N@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001485757610 1126820075 /nfs/dbraw/zinc/82/00/75/1126820075.db2.gz KZBBHICRTFIEEC-MRXNPFEDSA-N 2 0 347.463 -0.109 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486288676 1127115477 /nfs/dbraw/zinc/11/54/77/1127115477.db2.gz YIYWTDGUDGPHTD-AWEZNQCLSA-N 2 0 338.452 -0.674 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001490857717 1129687035 /nfs/dbraw/zinc/68/70/35/1129687035.db2.gz WKMGPSGIIVQKKM-CABCVRRESA-N 2 0 338.452 -0.553 20 30 EBEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001490922642 1130267885 /nfs/dbraw/zinc/26/78/85/1130267885.db2.gz JPMJLOZUZWXLOJ-KKUMJFAQSA-N 2 0 335.452 -0.015 20 30 EBEDRP CN(C)C(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000411946149 379124876 /nfs/dbraw/zinc/12/48/76/379124876.db2.gz KZWROUNXHRKPRU-HZPDHXFCSA-N 2 0 334.464 -0.190 20 30 EBEDRP C#CCN1CCN(C(=O)C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)CC1 ZINC000491298185 379595352 /nfs/dbraw/zinc/59/53/52/379595352.db2.gz UPVALZOZFUVYEF-UHFFFAOYSA-N 2 0 349.523 -0.231 20 30 EBEDRP C[C@@H]1OCC[C@@H]1[NH+](CC#CC[N@@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175185 380757368 /nfs/dbraw/zinc/75/73/68/380757368.db2.gz UJWVKVJECOLRGC-XSLAGTTESA-N 2 0 340.464 -0.067 20 30 EBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430651112 382024530 /nfs/dbraw/zinc/02/45/30/382024530.db2.gz KWKUWKNTYNQMOV-CYBMUJFWSA-N 2 0 337.424 -0.858 20 30 EBEDRP C#CC[N@H+](C)CCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000867310743 584068383 /nfs/dbraw/zinc/06/83/83/584068383.db2.gz BXZQLTXLADYFMN-UHFFFAOYSA-N 2 0 330.498 -0.502 20 30 EBEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC000868389277 584427441 /nfs/dbraw/zinc/42/74/41/584427441.db2.gz OWXPLXSIHIINSU-AWEZNQCLSA-N 2 0 326.441 -0.601 20 30 EBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876767813 584522783 /nfs/dbraw/zinc/52/27/83/584522783.db2.gz CPVXGGCOLJKPIP-UONOGXRCSA-N 2 0 330.860 -0.021 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876996009 584528153 /nfs/dbraw/zinc/52/81/53/584528153.db2.gz LWOGNOVYQANTND-UHFFFAOYSA-N 2 0 333.436 -0.841 20 30 EBEDRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)C1=O ZINC000877145042 584529513 /nfs/dbraw/zinc/52/95/13/584529513.db2.gz BMMVTGZKCVMYGS-MRXNPFEDSA-N 2 0 332.448 -0.199 20 30 EBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1S(C)(=O)=O ZINC000133916764 584616989 /nfs/dbraw/zinc/61/69/89/584616989.db2.gz DCWCOBBMSOAHKC-QWHCGFSZSA-N 2 0 331.486 -0.201 20 30 EBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N 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RMYMWZSSLRXFLL-MRXNPFEDSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000976287565 726254274 /nfs/dbraw/zinc/25/42/74/726254274.db2.gz UOXAAJOFIKOROM-ALYAQQCSSA-N 2 0 344.459 -0.249 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001025814023 730095113 /nfs/dbraw/zinc/09/51/13/730095113.db2.gz CMMGZJVVLWOIBM-ARKGTOAJSA-N 2 0 332.448 -0.393 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001029004518 730382691 /nfs/dbraw/zinc/38/26/91/730382691.db2.gz YFPVCPZXXLCMFO-LSDHHAIUSA-N 2 0 334.464 -0.096 20 30 EBEDRP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578918 736392415 /nfs/dbraw/zinc/39/24/15/736392415.db2.gz ZXNUQFMEMJWYGX-KBPBESRZSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214948481 810293440 /nfs/dbraw/zinc/29/34/40/810293440.db2.gz QHZRUILKHZSRBC-HUUCEWRRSA-N 2 0 347.463 -0.061 20 30 EBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216053499 810357149 /nfs/dbraw/zinc/35/71/49/810357149.db2.gz PNGPKCJTMDNQBC-HUUCEWRRSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229715875 812050504 /nfs/dbraw/zinc/05/05/04/812050504.db2.gz AYCVBISWVSSRKG-HUUCEWRRSA-N 2 0 332.448 -0.151 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H](O)COC)CC2)CC1 ZINC001230344619 812104990 /nfs/dbraw/zinc/10/49/90/812104990.db2.gz CSOQMIHMXXLQAX-QGZVFWFLSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001080998103 812434330 /nfs/dbraw/zinc/43/43/30/812434330.db2.gz SLQDLYDOKCONAI-DJIMGWMZSA-N 2 0 346.475 -0.001 20 30 EBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246005144 812558486 /nfs/dbraw/zinc/55/84/86/812558486.db2.gz YLPORLIKVMRJHD-CABCVRRESA-N 2 0 343.468 -0.332 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001263920273 813134567 /nfs/dbraw/zinc/13/45/67/813134567.db2.gz ZECBZIRYMCXIRW-MELADBBJSA-N 2 0 331.420 -0.035 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001264411797 813173216 /nfs/dbraw/zinc/17/32/16/813173216.db2.gz QDKPFHBRFWDHLW-HYVNUMGLSA-N 2 0 337.464 -0.177 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265718301 813364232 /nfs/dbraw/zinc/36/42/32/813364232.db2.gz JGDKUJXTFQPNIC-OWYFMNJBSA-N 2 0 334.464 -0.243 20 30 EBEDRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266529581 813598508 /nfs/dbraw/zinc/59/85/08/813598508.db2.gz GAZUETLBMKKGGM-STQMWFEESA-N 2 0 327.404 -0.503 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001266626502 813626407 /nfs/dbraw/zinc/62/64/07/813626407.db2.gz MHFKFAIMKQTWBP-YHUYYLMFSA-N 2 0 332.448 -0.011 20 30 EBEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266686200 813640071 /nfs/dbraw/zinc/64/00/71/813640071.db2.gz UDHZBNHQWBNNFU-GASCZTMLSA-N 2 0 333.436 -0.055 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001267042368 813744386 /nfs/dbraw/zinc/74/43/86/813744386.db2.gz YWSIYJCGQYKXFO-SOUVJXGZSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001267070037 813751327 /nfs/dbraw/zinc/75/13/27/813751327.db2.gz HWEWBCJOVNGMOE-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001267070034 813751525 /nfs/dbraw/zinc/75/15/25/813751525.db2.gz HWEWBCJOVNGMOE-CABCVRRESA-N 2 0 334.464 -0.096 20 30 EBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267455397 813900785 /nfs/dbraw/zinc/90/07/85/813900785.db2.gz OXEGJVXFIGNYGD-UHFFFAOYSA-N 2 0 335.452 -0.204 20 30 EBEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001267593305 813944808 /nfs/dbraw/zinc/94/48/08/813944808.db2.gz HWBUDLCFFKGOCY-GOEBONIOSA-N 2 0 337.468 -0.007 20 30 EBEDRP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267589973 813945133 /nfs/dbraw/zinc/94/51/33/813945133.db2.gz SLHKTXLRVPKLCT-HNNXBMFYSA-N 2 0 334.464 -0.142 20 30 EBEDRP C[N@@H+](CC(=O)NCC#N)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267759199 814029279 /nfs/dbraw/zinc/02/92/79/814029279.db2.gz VUEUHDXGIKALMJ-UHFFFAOYSA-N 2 0 347.463 -0.108 20 30 EBEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148925 814162810 /nfs/dbraw/zinc/16/28/10/814162810.db2.gz NPLRYRFBIXVLNQ-FNYPPERVSA-N 2 0 345.443 -0.216 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001268286921 814172238 /nfs/dbraw/zinc/17/22/38/814172238.db2.gz NBBQTSPZVWHSLT-JKSUJKDBSA-N 2 0 334.464 -0.048 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784549 814385293 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/nfs/dbraw/zinc/24/31/84/816243184.db2.gz OWXZNCDJNBLFOZ-GASCZTMLSA-N 2 0 349.479 -0.006 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001271887802 816244515 /nfs/dbraw/zinc/24/45/15/816244515.db2.gz QHPGCYOXGSFEPJ-OAGGEKHMSA-N 2 0 334.464 -0.144 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001272545383 816469438 /nfs/dbraw/zinc/46/94/38/816469438.db2.gz NMYONXBQAQTRBT-CQSZACIVSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001273309280 816640134 /nfs/dbraw/zinc/64/01/34/816640134.db2.gz VZFJAKYAQPZBLY-AWEZNQCLSA-N 2 0 338.452 -0.553 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275422154 817214071 /nfs/dbraw/zinc/21/40/71/817214071.db2.gz AZOLSNYTIIYPEP-KGLIPLIRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001275729736 817284501 /nfs/dbraw/zinc/28/45/01/817284501.db2.gz OQFLHSZJXSWFSI-UKRRQHHQSA-N 2 0 348.447 -0.427 20 30 EBEDRP COCC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001276813650 817478301 /nfs/dbraw/zinc/47/83/01/817478301.db2.gz PTMPQSUZPKHNHR-JKSUJKDBSA-N 2 0 335.448 -0.063 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001276983005 817505009 /nfs/dbraw/zinc/50/50/09/817505009.db2.gz AXACQWVHCBAFJB-SRABZTEZSA-N 2 0 346.475 -0.050 20 30 EBEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001277224485 817533828 /nfs/dbraw/zinc/53/38/28/817533828.db2.gz IPFFCFWCCVVWHE-ZIAGYGMSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001277224482 817533908 /nfs/dbraw/zinc/53/39/08/817533908.db2.gz IPFFCFWCCVVWHE-UONOGXRCSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001277980844 817667938 /nfs/dbraw/zinc/66/79/38/817667938.db2.gz VROVUVMLETUKDY-CQSZACIVSA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001278017674 817677079 /nfs/dbraw/zinc/67/70/79/817677079.db2.gz MQLHCJSMGPGDNW-GJZGRUSLSA-N 2 0 338.452 -0.859 20 30 EBEDRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001278586232 817783127 /nfs/dbraw/zinc/78/31/27/817783127.db2.gz QQGVDZQFTSOLKH-KGLIPLIRSA-N 2 0 335.452 -0.158 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)CC[N@@H+]1C ZINC001278644526 817787815 /nfs/dbraw/zinc/78/78/15/817787815.db2.gz HBBJUDOHBMOTCO-MCIONIFRSA-N 2 0 335.452 -0.207 20 30 EBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278823001 817851768 /nfs/dbraw/zinc/85/17/68/817851768.db2.gz VYLVPQHTNVIWJV-NVXWUHKLSA-N 2 0 325.453 -0.225 20 30 EBEDRP CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NCC#N)CCOCC1)[NH+](C)C ZINC001281265856 818115583 /nfs/dbraw/zinc/11/55/83/818115583.db2.gz HYHVDIWPFCDFRG-ZDUSSCGKSA-N 2 0 339.440 -0.779 20 30 EBEDRP C=CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001281282343 818133745 /nfs/dbraw/zinc/13/37/45/818133745.db2.gz AJJSHHLDHWUECY-CQSZACIVSA-N 2 0 338.452 -0.505 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001281449865 818185399 /nfs/dbraw/zinc/18/53/99/818185399.db2.gz FKFSMCITFVLBDA-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001282858885 818504245 /nfs/dbraw/zinc/50/42/45/818504245.db2.gz NRHGVLHRFWTXEU-LUKYLMHMSA-N 2 0 344.459 -0.628 20 30 EBEDRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001282929042 818534617 /nfs/dbraw/zinc/53/46/17/818534617.db2.gz NTZRORWTXILGKG-KGLIPLIRSA-N 2 0 339.440 -0.827 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCN2CCNC2=O)CC1 ZINC001283723212 818918508 /nfs/dbraw/zinc/91/85/08/818918508.db2.gz NHEJQPZJTFRIIZ-HNNXBMFYSA-N 2 0 349.479 -0.207 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418452 820784153 /nfs/dbraw/zinc/78/41/53/820784153.db2.gz SAOPVBUMQMDYRG-QAPCUYQASA-N 2 0 334.464 -0.142 20 30 EBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047945 821011612 /nfs/dbraw/zinc/01/16/12/821011612.db2.gz ZIKRLHJSOBDFRO-XNRPHZJLSA-N 2 0 335.452 -0.350 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102370154 821081565 /nfs/dbraw/zinc/08/15/65/821081565.db2.gz SIKSMBKRBMVEDD-RRFJBIMHSA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316620817 821818187 /nfs/dbraw/zinc/81/81/87/821818187.db2.gz IOJIXRFJJBAZAS-YHUYYLMFSA-N 2 0 334.464 -0.050 20 30 EBEDRP Cc1nc[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001317197023 822033083 /nfs/dbraw/zinc/03/30/83/822033083.db2.gz KZNDUZAGVUYIHN-CYBMUJFWSA-N 2 0 332.408 -0.129 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001317294449 822070647 /nfs/dbraw/zinc/07/06/47/822070647.db2.gz LWNHVQKHSUCKCW-CQSZACIVSA-N 2 0 348.447 -0.425 20 30 EBEDRP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001317331018 822084649 /nfs/dbraw/zinc/08/46/49/822084649.db2.gz PUNZELLQEFFGAT-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001317534355 822148611 /nfs/dbraw/zinc/14/86/11/822148611.db2.gz BFFBKKXZRXLBPO-WBVHZDCISA-N 2 0 337.464 -0.223 20 30 EBEDRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106244334 822236665 /nfs/dbraw/zinc/23/66/65/822236665.db2.gz KFMGXJSDPKBWBC-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255322 822237637 /nfs/dbraw/zinc/23/76/37/822237637.db2.gz LZLKDBNQQNUUMD-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663226 822308606 /nfs/dbraw/zinc/30/86/06/822308606.db2.gz WZZKWTUQBNUSEY-OWCLPIDISA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385519 828610116 /nfs/dbraw/zinc/61/01/16/828610116.db2.gz OSEILBNKYBJJBP-CABCVRRESA-N 2 0 336.440 -0.226 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130235101 828763537 /nfs/dbraw/zinc/76/35/37/828763537.db2.gz UBCNLOWJTXCWAV-STQMWFEESA-N 2 0 334.424 -0.532 20 30 EBEDRP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001130220716 828759683 /nfs/dbraw/zinc/75/96/83/828759683.db2.gz JRFUAJOXBWKULR-MJBXVCDLSA-N 2 0 348.451 -0.144 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114483825 826263044 /nfs/dbraw/zinc/26/30/44/826263044.db2.gz NCKISRVXSSZIAX-KBXIAJHMSA-N 2 0 334.464 -0.099 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC001180203966 833055467 /nfs/dbraw/zinc/05/54/67/833055467.db2.gz DYMSULJZSDLGHW-RDJZCZTQSA-N 2 0 344.459 -0.340 20 30 EBEDRP C[NH+](C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2)C1CC1 ZINC001121247020 827329503 /nfs/dbraw/zinc/32/95/03/827329503.db2.gz VIUPIBQPEYMTBC-KZFQUHQDSA-N 2 0 347.463 -0.017 20 30 EBEDRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182981324 833272262 /nfs/dbraw/zinc/27/22/62/833272262.db2.gz GAZUETLBMKKGGM-CHWSQXEVSA-N 2 0 327.404 -0.503 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127558911 828303011 /nfs/dbraw/zinc/30/30/11/828303011.db2.gz VFYISHCKHGKVAG-HNNXBMFYSA-N 2 0 348.451 -0.449 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695445 828314146 /nfs/dbraw/zinc/31/41/46/828314146.db2.gz LLLNRDVIIBTWGO-QWHCGFSZSA-N 2 0 339.440 -0.566 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551171 833333258 /nfs/dbraw/zinc/33/32/58/833333258.db2.gz ARCCYUDGNXECPO-NVXWUHKLSA-N 2 0 332.448 -0.199 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370081 829116484 /nfs/dbraw/zinc/11/64/84/829116484.db2.gz CGHFMGWMQDHZDN-UHFFFAOYSA-N 2 0 344.375 -0.335 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185680943 833366845 /nfs/dbraw/zinc/36/68/45/833366845.db2.gz HNOFGYLCKRICCM-JKSUJKDBSA-N 2 0 334.464 -0.094 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1=O ZINC001132848285 829533008 /nfs/dbraw/zinc/53/30/08/829533008.db2.gz DASAIFIFNLQWSU-GJZGRUSLSA-N 2 0 338.452 -0.412 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148298376 830466929 /nfs/dbraw/zinc/46/69/29/830466929.db2.gz OLNOBANNRDKOKD-CABCVRRESA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365412 830475181 /nfs/dbraw/zinc/47/51/81/830475181.db2.gz OVWXVYUXOLYTIZ-ZDUSSCGKSA-N 2 0 341.456 -0.176 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359975 830475217 /nfs/dbraw/zinc/47/52/17/830475217.db2.gz IMUXDZNYAPUZST-UHFFFAOYSA-N 2 0 327.429 -0.564 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156978 831034611 /nfs/dbraw/zinc/03/46/11/831034611.db2.gz INDHYGHAJGNXIC-GJZGRUSLSA-N 2 0 338.452 -0.553 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151160831 831036728 /nfs/dbraw/zinc/03/67/28/831036728.db2.gz ZKKMDEIMGBKJPY-ZIAGYGMSSA-N 2 0 326.441 -0.649 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCn2nc(C)nc2C)CC1 ZINC001152334912 831153063 /nfs/dbraw/zinc/15/30/63/831153063.db2.gz VMDIVJMEYWJRMN-UHFFFAOYSA-N 2 0 332.452 -0.054 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152444877 831163027 /nfs/dbraw/zinc/16/30/27/831163027.db2.gz ARRFWSWEVZDOEJ-GFCCVEGCSA-N 2 0 327.429 -0.567 20 30 EBEDRP N#Cc1nccnc1N1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160636180 831873449 /nfs/dbraw/zinc/87/34/49/831873449.db2.gz HTTPGELNLSPUGS-NSHDSACASA-N 2 0 335.437 -0.984 20 30 EBEDRP N#Cc1ccc([C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)N2CC[NH2+]CC2)cc1 ZINC001160643956 831874374 /nfs/dbraw/zinc/87/43/74/831874374.db2.gz RBHLEDSAMMXTJS-IRXDYDNUSA-N 2 0 343.431 -0.309 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165484384 832223190 /nfs/dbraw/zinc/22/31/90/832223190.db2.gz CZDJRWDPWYSEDX-MRXNPFEDSA-N 2 0 334.464 -0.048 20 30 EBEDRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001166863723 832295161 /nfs/dbraw/zinc/29/51/61/832295161.db2.gz QGFLZGSEXGBEJJ-UHFFFAOYSA-N 2 0 335.452 -0.156 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166930652 832300730 /nfs/dbraw/zinc/30/07/30/832300730.db2.gz LBLOMCCXJLZMCM-HNNXBMFYSA-N 2 0 340.468 -0.115 20 30 EBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171218703 832552274 /nfs/dbraw/zinc/55/22/74/832552274.db2.gz RPQOYIYKWVOYSQ-UHFFFAOYSA-N 2 0 340.468 -0.139 20 30 EBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)COCC[NH+](C)C ZINC001176165765 832661287 /nfs/dbraw/zinc/66/12/87/832661287.db2.gz OJVBZXAFFDVDPM-CQSZACIVSA-N 2 0 341.456 -0.531 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001176926143 832711241 /nfs/dbraw/zinc/71/12/41/832711241.db2.gz HJIHPYLQXLZEGY-LBPRGKRZSA-N 2 0 337.424 -0.989 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001176926878 832712254 /nfs/dbraw/zinc/71/22/54/832712254.db2.gz YPCGETQECSRGTP-AWEZNQCLSA-N 2 0 334.420 -0.767 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986078 832726155 /nfs/dbraw/zinc/72/61/55/832726155.db2.gz DFLRULOONWUVDQ-CYBMUJFWSA-N 2 0 341.456 -0.177 20 30 EBEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187122457 833904028 /nfs/dbraw/zinc/90/40/28/833904028.db2.gz TVOJQYUCZUORTA-CABCVRRESA-N 2 0 338.452 -0.458 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143075 834616868 /nfs/dbraw/zinc/61/68/68/834616868.db2.gz KYUDXHPUHQUFCP-GDBMZVCRSA-N 2 0 334.464 -0.001 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200116071 835911163 /nfs/dbraw/zinc/91/11/63/835911163.db2.gz SLCYSPCXISNBID-LSDHHAIUSA-N 2 0 338.452 -0.410 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658077 836011230 /nfs/dbraw/zinc/01/12/30/836011230.db2.gz GZQLYFQLVVLGNT-LSDHHAIUSA-N 2 0 349.435 -0.930 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034843 836082854 /nfs/dbraw/zinc/08/28/54/836082854.db2.gz YEXIZNGEYDLTSN-GARNVTTQSA-N 2 0 333.432 -0.310 20 30 EBEDRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203326639 836421224 /nfs/dbraw/zinc/42/12/24/836421224.db2.gz VEVDEZDIRWZFIH-KBPBESRZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203329835 836421358 /nfs/dbraw/zinc/42/13/58/836421358.db2.gz AGELTMABYUJRKI-AWEZNQCLSA-N 2 0 340.468 -0.164 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203612848 836453352 /nfs/dbraw/zinc/45/33/52/836453352.db2.gz ADKFUWAFTTZPNH-KGLIPLIRSA-N 2 0 345.447 -0.261 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203794210 836477393 /nfs/dbraw/zinc/47/73/93/836477393.db2.gz VNJHVOSZUUHQAC-UONOGXRCSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281118 836634820 /nfs/dbraw/zinc/63/48/20/836634820.db2.gz BHXXLYOHNZIFBR-HOCLYGCPSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208057535 836939164 /nfs/dbraw/zinc/93/91/64/836939164.db2.gz YQXGOTYWEWJUEP-CVEARBPZSA-N 2 0 332.448 -0.342 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001320112696 838232484 /nfs/dbraw/zinc/23/24/84/838232484.db2.gz FGAUFFQOLPDIGG-GJZGRUSLSA-N 2 0 333.436 -0.355 20 30 EBEDRP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001326352072 840090413 /nfs/dbraw/zinc/09/04/13/840090413.db2.gz LHVNMVRMDIXIME-AWEZNQCLSA-N 2 0 335.452 -0.204 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001326989658 840261619 /nfs/dbraw/zinc/26/16/19/840261619.db2.gz KHMJNBOPPCFPSD-UONOGXRCSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCCCO2)CC1 ZINC001331842904 841518205 /nfs/dbraw/zinc/51/82/05/841518205.db2.gz RPINAXWCSBFPKY-DLBZAZTESA-N 2 0 337.464 -0.033 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332529896 841662564 /nfs/dbraw/zinc/66/25/64/841662564.db2.gz QVVIPYQUOXHWPD-UONOGXRCSA-N 2 0 326.441 -0.818 20 30 EBEDRP C=C[C@H](COC)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349368872 843893644 /nfs/dbraw/zinc/89/36/44/843893644.db2.gz LKAUIEQCVGVTRN-RBSFLKMASA-N 2 0 340.468 -0.499 20 30 EBEDRP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)n1ccnc1 ZINC001691117087 1125835633 /nfs/dbraw/zinc/83/56/33/1125835633.db2.gz IJIOUVZDLJVOOY-MELADBBJSA-N 2 0 332.408 -0.042 20 30 EBEDRP CC(C)(C(=O)NC[C@H]1CCN(CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001691151682 1125838687 /nfs/dbraw/zinc/83/86/87/1125838687.db2.gz QMGXNGHIMORVCS-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691441168 1125877695 /nfs/dbraw/zinc/87/76/95/1125877695.db2.gz ZQFLWPGLUQKAKZ-VHDGCEQUSA-N 2 0 333.436 -0.548 20 30 EBEDRP C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001481709244 1126043775 /nfs/dbraw/zinc/04/37/75/1126043775.db2.gz FODJSUGCRRKIJO-CYBMUJFWSA-N 2 0 348.407 -0.606 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365741 1126139257 /nfs/dbraw/zinc/13/92/57/1126139257.db2.gz XQJWTOHLFMTDCK-QWHCGFSZSA-N 2 0 339.440 -0.614 20 30 EBEDRP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001484512281 1126600508 /nfs/dbraw/zinc/60/05/08/1126600508.db2.gz QZBIBKCRPWHOMA-LSDHHAIUSA-N 2 0 338.452 -0.553 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001484892277 1126650863 /nfs/dbraw/zinc/65/08/63/1126650863.db2.gz MOACBSNSPBSRFG-LSDHHAIUSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)CC1 ZINC001486065136 1127015293 /nfs/dbraw/zinc/01/52/93/1127015293.db2.gz CUKUFQJNYGZRHO-INIZCTEOSA-N 2 0 333.436 -0.705 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCOCCO)CC1 ZINC001488698220 1128828437 /nfs/dbraw/zinc/82/84/37/1128828437.db2.gz IKMYLTSDGJLFOV-QGZVFWFLSA-N 2 0 337.464 -0.127 20 30 EBEDRP COCC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001489174153 1128917706 /nfs/dbraw/zinc/91/77/06/1128917706.db2.gz NZQUZKXIYBOQTR-IAGOWNOFSA-N 2 0 337.464 -0.127 20 30 EBEDRP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001491361673 1130413703 /nfs/dbraw/zinc/41/37/03/1130413703.db2.gz RCXOFLHYOKGUCB-UHFFFAOYSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001330695566 1130713173 /nfs/dbraw/zinc/71/31/73/1130713173.db2.gz UMQOABCBUBUYJE-MPGHIAIKSA-N 2 0 332.448 -0.294 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001356835230 1130967335 /nfs/dbraw/zinc/96/73/35/1130967335.db2.gz AUJXOZHHESVKPW-HOTGVXAUSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000491298756 379595640 /nfs/dbraw/zinc/59/56/40/379595640.db2.gz XHNUJTXBDOXCLM-INIZCTEOSA-N 2 0 349.479 -0.111 20 30 EBEDRP C#CCN1CCN(C(=O)CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000491806007 379630642 /nfs/dbraw/zinc/63/06/42/379630642.db2.gz PVRHFROKRMYDIX-KRWDZBQOSA-N 2 0 348.491 -0.051 20 30 EBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000491615068 379605791 /nfs/dbraw/zinc/60/57/91/379605791.db2.gz APHYGLKKJNLTFW-HNNXBMFYSA-N 2 0 326.441 -0.724 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000280043904 379968894 /nfs/dbraw/zinc/96/88/94/379968894.db2.gz RANYTWVTDLKBNO-QWHCGFSZSA-N 2 0 347.467 -0.067 20 30 EBEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000571941305 381630300 /nfs/dbraw/zinc/63/03/00/381630300.db2.gz AWUIGJOFCVKRDS-HUUCEWRRSA-N 2 0 335.452 -0.020 20 30 EBEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1C#N ZINC000535004730 421218611 /nfs/dbraw/zinc/21/86/11/421218611.db2.gz QIMPZXLABVQMLI-CQSZACIVSA-N 2 0 331.424 -0.238 20 30 EBEDRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000419875780 267347534 /nfs/dbraw/zinc/34/75/34/267347534.db2.gz OTRMSGBZTKOEPP-UHFFFAOYSA-N 2 0 331.420 -0.216 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891921698 582563303 /nfs/dbraw/zinc/56/33/03/582563303.db2.gz SEVJLRDXIBFWOE-KFWWJZLASA-N 2 0 349.435 -0.482 20 30 EBEDRP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000900306229 582766448 /nfs/dbraw/zinc/76/64/48/582766448.db2.gz PRWPTUPGRIKVTF-GEEKYZPCSA-N 2 0 334.464 -0.076 20 30 EBEDRP C#CCN1CCN(C(=O)CN2CC[N@@H+](CCOC)CC2(C)C)CC1 ZINC000844431461 584093788 /nfs/dbraw/zinc/09/37/88/584093788.db2.gz HIGFTMAMHVOTFQ-UHFFFAOYSA-N 2 0 336.480 -0.194 20 30 EBEDRP C[NH+]=C(NCCC[N@@H+]1CCCO[C@H](C)C1)NCCN1CCOCC1 ZINC000849104420 584166026 /nfs/dbraw/zinc/16/60/26/584166026.db2.gz PNUIUGYPRIPUNM-MRXNPFEDSA-N 2 0 341.500 -0.016 20 30 EBEDRP C[NH+]=C(NCCCC[NH+]1CCN(C)CC1)NCCN1CCOCC1 ZINC000104169879 584686484 /nfs/dbraw/zinc/68/64/84/584686484.db2.gz FMJGDQFJINZPLR-UHFFFAOYSA-N 2 0 340.516 -0.489 20 30 EBEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261648590 649984604 /nfs/dbraw/zinc/98/46/04/649984604.db2.gz DXJNZPVVVNMSOH-OAHLLOKOSA-N 2 0 347.467 -0.016 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCc2nc(C)nn2C1 ZINC000261829057 649985609 /nfs/dbraw/zinc/98/56/09/649985609.db2.gz OCUPZZYVVVZNPK-UONOGXRCSA-N 2 0 332.456 -0.934 20 30 EBEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303769882 649992938 /nfs/dbraw/zinc/99/29/38/649992938.db2.gz BHPOVEVFDNODQY-MRXNPFEDSA-N 2 0 341.500 -0.030 20 30 EBEDRP C=C1[C@@H](C(=O)NCC#CC[NH+](C)C)[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913523817 650235728 /nfs/dbraw/zinc/23/57/28/650235728.db2.gz NQKZEYGIPHLWKE-HZPDHXFCSA-N 2 0 330.432 -0.849 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC000970792713 725329092 /nfs/dbraw/zinc/32/90/92/725329092.db2.gz SIEMCQATJHUZJS-CVEARBPZSA-N 2 0 332.448 -0.247 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000973964682 725836386 /nfs/dbraw/zinc/83/63/86/725836386.db2.gz KBUTWNTYPGGMIO-FZKCQIBNSA-N 2 0 332.448 -0.058 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC000993855347 725954367 /nfs/dbraw/zinc/95/43/67/725954367.db2.gz OPFPQYJYSFNHRI-PBHICJAKSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001000993108 726586337 /nfs/dbraw/zinc/58/63/37/726586337.db2.gz QRFZZYOIRWFRFU-HZPDHXFCSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001019813944 728998485 /nfs/dbraw/zinc/99/84/85/728998485.db2.gz PVQUUFKZSCANOZ-JKSUJKDBSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001023127825 729614778 /nfs/dbraw/zinc/61/47/78/729614778.db2.gz FJHLWHSTZMNBNO-IYBDPMFKSA-N 2 0 330.436 -0.140 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001023127731 729614781 /nfs/dbraw/zinc/61/47/81/729614781.db2.gz BHSNOABXSWNNOY-XHSDSOJGSA-N 2 0 332.448 -0.201 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC001026428021 730144638 /nfs/dbraw/zinc/14/46/38/730144638.db2.gz YIAFGDFUIZUFTR-HRCADAONSA-N 2 0 332.448 -0.357 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC001026428020 730144711 /nfs/dbraw/zinc/14/47/11/730144711.db2.gz YIAFGDFUIZUFTR-ARFHVFGLSA-N 2 0 332.448 -0.357 20 30 EBEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083998 733856628 /nfs/dbraw/zinc/85/66/28/733856628.db2.gz GVMLLZUGLALKJW-ZWKOTPCHSA-N 2 0 348.491 -0.194 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H](C)C(N)=O)C[C@@H]3C2)CC1 ZINC001049234599 734695038 /nfs/dbraw/zinc/69/50/38/734695038.db2.gz GGVHHENHUYRJGT-BMFZPTHFSA-N 2 0 332.448 -0.404 20 30 EBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055631892 736416227 /nfs/dbraw/zinc/41/62/27/736416227.db2.gz MKSQLBLSPRQYRZ-CQSZACIVSA-N 2 0 347.463 -0.061 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328306 740787777 /nfs/dbraw/zinc/78/77/77/740787777.db2.gz VVWXXXKNGUVFRU-XHSDSOJGSA-N 2 0 346.435 -0.779 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227166 743545992 /nfs/dbraw/zinc/54/59/92/743545992.db2.gz LXIYTNOWTDXTAI-USXIJHARSA-N 2 0 335.448 -0.471 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@H]32)CC1 ZINC000979086990 805128007 /nfs/dbraw/zinc/12/80/07/805128007.db2.gz JVIQCMQVQHDDQA-NXOAAHMSSA-N 2 0 346.475 -0.111 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214597829 810264948 /nfs/dbraw/zinc/26/49/48/810264948.db2.gz OUZMEBYBMAGCCH-RBSFLKMASA-N 2 0 335.452 -0.065 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215397068 810326409 /nfs/dbraw/zinc/32/64/09/810326409.db2.gz RDWCJMSCPLPVIJ-CBBWQLFWSA-N 2 0 335.452 -0.207 20 30 EBEDRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216413258 810372374 /nfs/dbraw/zinc/37/23/74/810372374.db2.gz GSNWDHQNDFOQFH-TZMCWYRMSA-N 2 0 344.419 -0.163 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC001216837315 810393887 /nfs/dbraw/zinc/39/38/87/810393887.db2.gz ARVYPGSDZPPCPQ-NVXWUHKLSA-N 2 0 344.459 -0.483 20 30 EBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001218596261 810508182 /nfs/dbraw/zinc/50/81/82/810508182.db2.gz GIOCHLDWXPDJMB-LBPRGKRZSA-N 2 0 346.439 -0.318 20 30 EBEDRP N#Cc1nc(N)c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)nc1C#N ZINC001218595090 810508523 /nfs/dbraw/zinc/50/85/23/810508523.db2.gz LPOPYRBKDQZELX-SECBINFHSA-N 2 0 326.364 -0.385 20 30 EBEDRP N#Cc1cc(N)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1C#N ZINC001218987739 810551583 /nfs/dbraw/zinc/55/15/83/810551583.db2.gz QOKBAOGSMRQDSD-AWEZNQCLSA-N 2 0 327.392 -0.299 20 30 EBEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034101 810956384 /nfs/dbraw/zinc/95/63/84/810956384.db2.gz NTPBLUYKKGZTBB-PLQZLIEUSA-N 2 0 335.448 -0.023 20 30 EBEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971119 811317541 /nfs/dbraw/zinc/31/75/41/811317541.db2.gz UNRWTRXVMNTLKX-KRWDZBQOSA-N 2 0 328.416 -0.027 20 30 EBEDRP C=CCNC(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225155205 811795955 /nfs/dbraw/zinc/79/59/55/811795955.db2.gz PIJNDVJFWRNKAL-UHFFFAOYSA-N 2 0 340.468 -0.305 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001263927321 813135509 /nfs/dbraw/zinc/13/55/09/813135509.db2.gz BKDHSFLXLWGBIM-DAYGRLMNSA-N 2 0 347.463 -0.013 20 30 EBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264391400 813170288 /nfs/dbraw/zinc/17/02/88/813170288.db2.gz RYGXZJXNZMRPIZ-ZNMIVQPWSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001265374034 813314174 /nfs/dbraw/zinc/31/41/74/813314174.db2.gz FAFGQBDOSZRFFI-INIZCTEOSA-N 2 0 334.464 -0.048 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266066655 813450020 /nfs/dbraw/zinc/45/00/20/813450020.db2.gz DQNSXQSOWPLUPQ-GJZGRUSLSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CC1 ZINC001266732413 813655265 /nfs/dbraw/zinc/65/52/65/813655265.db2.gz GTAUOJUWOKXHGU-OKILXGFUSA-N 2 0 349.435 -0.976 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001266804785 813675064 /nfs/dbraw/zinc/67/50/64/813675064.db2.gz OKRVECUJGDYAJK-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266866622 813688554 /nfs/dbraw/zinc/68/85/54/813688554.db2.gz CHRJUGKZYQVYOW-HZPDHXFCSA-N 2 0 347.463 -0.061 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001267929278 814071414 /nfs/dbraw/zinc/07/14/14/814071414.db2.gz LMGPJTBSUDVISS-SHTZXODSSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268098880 814124927 /nfs/dbraw/zinc/12/49/27/814124927.db2.gz JQXPKZRDVYZUQR-CQSZACIVSA-N 2 0 333.436 -0.592 20 30 EBEDRP CC(C)[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC(=O)NCC#N ZINC001268226240 814151938 /nfs/dbraw/zinc/15/19/38/814151938.db2.gz GDLRYAWAMMOBGP-PBHICJAKSA-N 2 0 335.452 -0.158 20 30 EBEDRP N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001268555432 814291174 /nfs/dbraw/zinc/29/11/74/814291174.db2.gz ITCIABUXLOFWOX-PZGMIKLFSA-N 2 0 333.436 -0.095 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001269646586 814755663 /nfs/dbraw/zinc/75/56/63/814755663.db2.gz YYPACDVWEYINQF-KSSFIOAISA-N 2 0 334.464 -0.048 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001270254672 815734925 /nfs/dbraw/zinc/73/49/25/815734925.db2.gz YCUYYJVHLAGIRQ-SOUVJXGZSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001270338441 815754720 /nfs/dbraw/zinc/75/47/20/815754720.db2.gz FUUJJARVWOPLLR-INIZCTEOSA-N 2 0 325.453 -0.128 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001272511539 816452742 /nfs/dbraw/zinc/45/27/42/816452742.db2.gz DHTZCCWYJTZOJR-LSDHHAIUSA-N 2 0 338.452 -0.818 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@@H](C)c2nncn2C)CC1 ZINC001272584440 816486381 /nfs/dbraw/zinc/48/63/81/816486381.db2.gz OGYZTUUKHIWILW-ZFWWWQNUSA-N 2 0 348.451 -0.712 20 30 EBEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001273322633 816644372 /nfs/dbraw/zinc/64/43/72/816644372.db2.gz HUSVIFBWLBGALB-MRXNPFEDSA-N 2 0 333.436 -0.101 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001273343133 816648538 /nfs/dbraw/zinc/64/85/38/816648538.db2.gz URTIQWAQBOQUBL-CABCVRRESA-N 2 0 338.452 -0.553 20 30 EBEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274374974 816942807 /nfs/dbraw/zinc/94/28/07/816942807.db2.gz GQALSNDNHJVKHG-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2cnnn2C)CC1 ZINC001274611823 817041035 /nfs/dbraw/zinc/04/10/35/817041035.db2.gz WRVVPADZPJVFDG-SNAWJCMRSA-N 2 0 330.436 -0.078 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001275729739 817283890 /nfs/dbraw/zinc/28/38/90/817283890.db2.gz OQFLHSZJXSWFSI-ZFWWWQNUSA-N 2 0 348.447 -0.427 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001276011135 817338169 /nfs/dbraw/zinc/33/81/69/817338169.db2.gz MADJNDGERNDWGI-GOEBONIOSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)N3CCC3)CC2)CC1 ZINC001277258863 817539651 /nfs/dbraw/zinc/53/96/51/817539651.db2.gz CZHCCVVXYGDVNJ-UHFFFAOYSA-N 2 0 332.448 -0.198 20 30 EBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415759 817926839 /nfs/dbraw/zinc/92/68/39/817926839.db2.gz DJLYJNTVIWYGKR-XHSDSOJGSA-N 2 0 347.463 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001281821434 818285733 /nfs/dbraw/zinc/28/57/33/818285733.db2.gz VZGCKZNMQYIBSJ-HNNXBMFYSA-N 2 0 337.464 -0.345 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282958563 818548640 /nfs/dbraw/zinc/54/86/40/818548640.db2.gz PHGCNCGWXPRDPK-HRCADAONSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282958569 818549109 /nfs/dbraw/zinc/54/91/09/818549109.db2.gz PHGCNCGWXPRDPK-XHSDSOJGSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001284311829 819178421 /nfs/dbraw/zinc/17/84/21/819178421.db2.gz DVLANROQQNBFDS-AWEZNQCLSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501895 819258310 /nfs/dbraw/zinc/25/83/10/819258310.db2.gz KFABEAFEDIMZSP-HZPDHXFCSA-N 2 0 325.453 -0.128 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001284641818 819313789 /nfs/dbraw/zinc/31/37/89/819313789.db2.gz MHRAAYXCZLXVBP-CQSZACIVSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529727 819477484 /nfs/dbraw/zinc/47/74/84/819477484.db2.gz VJFUWXBACZAAPP-HZMVEIRTSA-N 2 0 346.475 -0.144 20 30 EBEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076300 820170418 /nfs/dbraw/zinc/17/04/18/820170418.db2.gz JDUUCQWYHGKPHF-LSDHHAIUSA-N 2 0 329.441 -0.681 20 30 EBEDRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001100731968 820526683 /nfs/dbraw/zinc/52/66/83/820526683.db2.gz NIYXBLVSHGYMQD-UHFFFAOYSA-N 2 0 335.452 -0.158 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001101037158 820660850 /nfs/dbraw/zinc/66/08/50/820660850.db2.gz BKBKGGGDVSADCB-YMAMQOFZSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430142 820789080 /nfs/dbraw/zinc/78/90/80/820789080.db2.gz QUVYVTHQWGBAHV-MDZRGWNJSA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366735 821079958 /nfs/dbraw/zinc/07/99/58/821079958.db2.gz OQIFNXYSUFCKGT-OWCLPIDISA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103719180 821345218 /nfs/dbraw/zinc/34/52/18/821345218.db2.gz UAQMZCCCXGKAQP-BZUAXINKSA-N 2 0 334.464 -0.238 20 30 EBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)nn1 ZINC001105326906 821694512 /nfs/dbraw/zinc/69/45/12/821694512.db2.gz LHNVVBHEKKGDEW-CZUORRHYSA-N 2 0 330.436 -0.028 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317323164 822083063 /nfs/dbraw/zinc/08/30/63/822083063.db2.gz SYFDAOUTXGZUER-HRCADAONSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001317415956 822104183 /nfs/dbraw/zinc/10/41/83/822104183.db2.gz PXFCNOGPVBIUPY-CQSZACIVSA-N 2 0 333.436 -0.544 20 30 EBEDRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106255316 822237425 /nfs/dbraw/zinc/23/74/25/822237425.db2.gz LUWKWBFHRPBYSX-ZIAGYGMSSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984640 823713450 /nfs/dbraw/zinc/71/34/50/823713450.db2.gz XCBGVHVRIHYHCG-BZUAXINKSA-N 2 0 334.464 -0.096 20 30 EBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992271 828710478 /nfs/dbraw/zinc/71/04/78/828710478.db2.gz VZRDOXIXTOUACA-CABCVRRESA-N 2 0 334.424 -0.779 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144266 826432981 /nfs/dbraw/zinc/43/29/81/826432981.db2.gz UKCCFYUXZWVDQS-LJIGWXMPSA-N 2 0 334.464 -0.097 20 30 EBEDRP C[NH+](C)CC1(C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)CC1 ZINC001121654396 827418028 /nfs/dbraw/zinc/41/80/28/827418028.db2.gz UUGPDNXVHIFZLN-UHFFFAOYSA-N 2 0 347.463 -0.015 20 30 EBEDRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121929026 827484097 /nfs/dbraw/zinc/48/40/97/827484097.db2.gz BBJPXFZCVGOWIK-UHFFFAOYSA-N 2 0 335.452 -0.015 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122186721 827540235 /nfs/dbraw/zinc/54/02/35/827540235.db2.gz ZRIZIWLZFZGCLK-UHFFFAOYSA-N 2 0 333.436 -0.261 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182669807 833251984 /nfs/dbraw/zinc/25/19/84/833251984.db2.gz BLNRFDVNTXBAJB-CQSZACIVSA-N 2 0 348.451 -0.449 20 30 EBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356453 828283041 /nfs/dbraw/zinc/28/30/41/828283041.db2.gz CXNWSOFEGSYAMN-AWEZNQCLSA-N 2 0 335.452 -0.013 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184292543 833326064 /nfs/dbraw/zinc/32/60/64/833326064.db2.gz POIUQFOOZGARKG-CYBMUJFWSA-N 2 0 326.360 -0.222 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551172 833333354 /nfs/dbraw/zinc/33/33/54/833333354.db2.gz ARCCYUDGNXECPO-WBVHZDCISA-N 2 0 332.448 -0.199 20 30 EBEDRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185501523 833360451 /nfs/dbraw/zinc/36/04/51/833360451.db2.gz GDKVMUGYFNRRJK-HUUCEWRRSA-N 2 0 347.463 -0.204 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185505235 833360761 /nfs/dbraw/zinc/36/07/61/833360761.db2.gz ZDSYOTICSLGODQ-HZPDHXFCSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001133338583 829624152 /nfs/dbraw/zinc/62/41/52/829624152.db2.gz WNXHIGMJSJYYND-GOEBONIOSA-N 2 0 334.464 -0.109 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959887 830051942 /nfs/dbraw/zinc/05/19/42/830051942.db2.gz URGJQGTUCDPFJI-OAHLLOKOSA-N 2 0 338.452 -0.410 20 30 EBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959886 830052043 /nfs/dbraw/zinc/05/20/43/830052043.db2.gz URGJQGTUCDPFJI-HNNXBMFYSA-N 2 0 338.452 -0.410 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC001146584488 830209511 /nfs/dbraw/zinc/20/95/11/830209511.db2.gz SQTYLHFWGRJDCV-KBPBESRZSA-N 2 0 347.467 -0.072 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711790 830222645 /nfs/dbraw/zinc/22/26/45/830222645.db2.gz XRYLFUYREHEEOF-LBPRGKRZSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301294 830317464 /nfs/dbraw/zinc/31/74/64/830317464.db2.gz SAOLCYQOGQJJJN-AWEZNQCLSA-N 2 0 334.464 -0.048 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148298377 830466442 /nfs/dbraw/zinc/46/64/42/830466442.db2.gz OLNOBANNRDKOKD-GJZGRUSLSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@H](O)COC)C3)CC1 ZINC001148827882 830544162 /nfs/dbraw/zinc/54/41/62/830544162.db2.gz PXCJPBLQNATQII-KRWDZBQOSA-N 2 0 349.475 -0.127 20 30 EBEDRP C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589498 830940271 /nfs/dbraw/zinc/94/02/71/830940271.db2.gz URHQLUYPNDYTIE-INIZCTEOSA-N 2 0 343.468 -0.026 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(C)CC2CC2)CC1 ZINC001152324740 831151748 /nfs/dbraw/zinc/15/17/48/831151748.db2.gz ZVQPODCJFXQYNF-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001152330028 831152742 /nfs/dbraw/zinc/15/27/42/831152742.db2.gz HXKXXMVTVRYDBC-OAHLLOKOSA-N 2 0 334.464 -0.046 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160882970 831902993 /nfs/dbraw/zinc/90/29/93/831902993.db2.gz CNPQSXHEROULLC-GFCCVEGCSA-N 2 0 327.429 -0.566 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872166 832068474 /nfs/dbraw/zinc/06/84/74/832068474.db2.gz IOBMTXTXBCCBQC-YOFIQYCBSA-N 2 0 348.447 -0.917 20 30 EBEDRP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802088 834193598 /nfs/dbraw/zinc/19/35/98/834193598.db2.gz RTOZWPOCKWCXLQ-LSDHHAIUSA-N 2 0 330.432 -0.636 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200116070 835910511 /nfs/dbraw/zinc/91/05/11/835910511.db2.gz SLCYSPCXISNBID-HUUCEWRRSA-N 2 0 338.452 -0.410 20 30 EBEDRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001200795581 836035492 /nfs/dbraw/zinc/03/54/92/836035492.db2.gz LDUHAIGDFIIESG-UONOGXRCSA-N 2 0 339.440 -0.827 20 30 EBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCCO1 ZINC001201034844 836083331 /nfs/dbraw/zinc/08/33/31/836083331.db2.gz YEXIZNGEYDLTSN-LPMVOBIJSA-N 2 0 333.432 -0.310 20 30 EBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCCO1 ZINC001201612731 836166142 /nfs/dbraw/zinc/16/61/42/836166142.db2.gz QRKAPZWSRVECIJ-MRXNPFEDSA-N 2 0 333.436 -0.101 20 30 EBEDRP C[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C23CCC3)CC1 ZINC001203333904 836420973 /nfs/dbraw/zinc/42/09/73/836420973.db2.gz WTKFKGOWNPHBMK-HUUCEWRRSA-N 2 0 347.463 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205315095 836559234 /nfs/dbraw/zinc/55/92/34/836559234.db2.gz ZTVUJWJFJIMPQF-QGZVFWFLSA-N 2 0 346.475 -0.094 20 30 EBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001205526302 836575158 /nfs/dbraw/zinc/57/51/58/836575158.db2.gz OJHFWPMKZJRZHC-HNNXBMFYSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206062214 836619358 /nfs/dbraw/zinc/61/93/58/836619358.db2.gz YVZURBRBJCLJTN-UHFFFAOYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206872518 836685572 /nfs/dbraw/zinc/68/55/72/836685572.db2.gz ICKIFHWMWASXHM-UHFFFAOYSA-N 2 0 338.452 -0.858 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC(=O)N2CCC2)CC1 ZINC001321417309 838988005 /nfs/dbraw/zinc/98/80/05/838988005.db2.gz QRUCHKQNYHEKEM-ARJAWSKDSA-N 2 0 332.448 -0.174 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001324518069 839669370 /nfs/dbraw/zinc/66/93/70/839669370.db2.gz PATNBMNODMRSED-OAHLLOKOSA-N 2 0 335.452 -0.013 20 30 EBEDRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])CCCC#N)cn1 ZINC001326329136 840087267 /nfs/dbraw/zinc/08/72/67/840087267.db2.gz GLWBUFXZOMIPMD-CYBMUJFWSA-N 2 0 335.412 -0.479 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCO1 ZINC001326990032 840261384 /nfs/dbraw/zinc/26/13/84/840261384.db2.gz LBQGVPNKSYRWOP-BFHYXJOUSA-N 2 0 345.403 -0.920 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001327960628 840559062 /nfs/dbraw/zinc/55/90/62/840559062.db2.gz XBGSKBHZJNZJAN-DOTOQJQBSA-N 2 0 337.464 -0.223 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001328199388 840618431 /nfs/dbraw/zinc/61/84/31/840618431.db2.gz WHJLNLVTBANMGE-INIZCTEOSA-N 2 0 337.464 -0.079 20 30 EBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001328199390 840618812 /nfs/dbraw/zinc/61/88/12/840618812.db2.gz WHJLNLVTBANMGE-MRXNPFEDSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330650335 841253437 /nfs/dbraw/zinc/25/34/37/841253437.db2.gz JCXICVGXTJMNJS-RBSFLKMASA-N 2 0 334.464 -0.050 20 30 EBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001331802907 841503786 /nfs/dbraw/zinc/50/37/86/841503786.db2.gz FLEHVZNUMBXVSR-HOTGVXAUSA-N 2 0 325.453 -0.034 20 30 EBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001332607001 841687663 /nfs/dbraw/zinc/68/76/63/841687663.db2.gz QOSXCUMODOUSEU-HZPDHXFCSA-N 2 0 341.452 -0.987 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001332663274 841709114 /nfs/dbraw/zinc/70/91/14/841709114.db2.gz MFSIKQVRYRRNMY-MRXNPFEDSA-N 2 0 325.453 -0.271 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)C[C@H]1C[NH+](C)C ZINC001336316682 842436636 /nfs/dbraw/zinc/43/66/36/842436636.db2.gz SXFGQPMWVWIBIB-HUUCEWRRSA-N 2 0 337.468 -0.006 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691175028 1125841039 /nfs/dbraw/zinc/84/10/39/1125841039.db2.gz OAAMDXPSOXSMIJ-WKILWMFISA-N 2 0 334.464 -0.048 20 30 EBEDRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)CC1 ZINC001481694711 1126040810 /nfs/dbraw/zinc/04/08/10/1126040810.db2.gz BONBBWKNUDZIAV-HNNXBMFYSA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365735 1126139305 /nfs/dbraw/zinc/13/93/05/1126139305.db2.gz XQJWTOHLFMTDCK-CHWSQXEVSA-N 2 0 339.440 -0.614 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116420 1126334620 /nfs/dbraw/zinc/33/46/20/1126334620.db2.gz IOUZGMNZBPSHRC-NEPJUHHUSA-N 2 0 325.413 -0.813 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997806 1126496296 /nfs/dbraw/zinc/49/62/96/1126496296.db2.gz YRCRESFBOXXHHQ-LSDHHAIUSA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001484238573 1126536507 /nfs/dbraw/zinc/53/65/07/1126536507.db2.gz JGVPMQNWGTXNKQ-YOEHRIQHSA-N 2 0 338.452 -0.722 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001484409161 1126570061 /nfs/dbraw/zinc/57/00/61/1126570061.db2.gz KGCUQQNUAHLLFK-OAGGEKHMSA-N 2 0 346.475 -0.001 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484848160 1126641762 /nfs/dbraw/zinc/64/17/62/1126641762.db2.gz JSWJRQFDNAAUHX-WMLDXEAASA-N 2 0 340.468 -0.428 20 30 EBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001484847066 1126643872 /nfs/dbraw/zinc/64/38/72/1126643872.db2.gz MFZRQIIKLSBJHG-QGZVFWFLSA-N 2 0 325.453 -0.079 20 30 EBEDRP CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001484855282 1126645081 /nfs/dbraw/zinc/64/50/81/1126645081.db2.gz NNLWOKHYLHXGGR-WBVHZDCISA-N 2 0 325.453 -0.081 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001485629497 1126772595 /nfs/dbraw/zinc/77/25/95/1126772595.db2.gz SIGXNLMBBXITMZ-OSYLJGHBSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC)C[C@@]3(C)C2)CC1 ZINC001092300346 1128222816 /nfs/dbraw/zinc/22/28/16/1128222816.db2.gz VSIFZXIGPQTNOP-APWZRJJASA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490702300 1129249827 /nfs/dbraw/zinc/24/98/27/1129249827.db2.gz ZITWIBWEADZQIN-CZUORRHYSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001490742355 1129251986 /nfs/dbraw/zinc/25/19/86/1129251986.db2.gz OLVROXDPZPEUBN-AWEZNQCLSA-N 2 0 349.435 -0.989 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001490958021 1130273835 /nfs/dbraw/zinc/27/38/35/1130273835.db2.gz KYGFDUFQNKTSKB-XIRDDKMYSA-N 2 0 344.459 -0.294 20 30 EBEDRP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NCC#N)C1 ZINC001490976842 1130275953 /nfs/dbraw/zinc/27/59/53/1130275953.db2.gz KAGBRAIZPJJYHU-FFHGMXDLSA-N 2 0 333.436 -0.311 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001491080434 1130314489 /nfs/dbraw/zinc/31/44/89/1130314489.db2.gz NVXKPJSDFGKUOB-GASCZTMLSA-N 2 0 331.420 -0.792 20 30 EBEDRP N#Cc1ccc2nc(CN3CC[NH2+]CCNCC[NH2+]CC3)cn2c1 ZINC001235874628 1130531443 /nfs/dbraw/zinc/53/14/43/1130531443.db2.gz UJHBNVSIUFEFFY-UHFFFAOYSA-N 2 0 327.436 -0.210 20 30 EBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000550717324 376551928 /nfs/dbraw/zinc/55/19/28/376551928.db2.gz DGGSLDYQXMUIRI-UHFFFAOYSA-N 2 0 332.408 -0.156 20 30 EBEDRP C[C@@H]1OCC[C@H]1[NH+](CC#CC[N@@H+](CCO)[C@H]1CCO[C@H]1C)CCO ZINC000342175183 380757534 /nfs/dbraw/zinc/75/75/34/380757534.db2.gz UJWVKVJECOLRGC-XLAORIBOSA-N 2 0 340.464 -0.067 20 30 EBEDRP CNC(=O)[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(=O)NC)C2)C1 ZINC000341894059 380744979 /nfs/dbraw/zinc/74/49/79/380744979.db2.gz JCAPLTQWNTWGMT-HOTGVXAUSA-N 2 0 334.464 -0.094 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852793495 584215752 /nfs/dbraw/zinc/21/57/52/584215752.db2.gz CCEPLBBOPYDNRR-INIZCTEOSA-N 2 0 332.448 -0.340 20 30 EBEDRP C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590674 584412135 /nfs/dbraw/zinc/41/21/35/584412135.db2.gz RAQODAIZNLSQFH-RRFJBIMHSA-N 2 0 345.513 -0.006 20 30 EBEDRP CC[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262807270 649988087 /nfs/dbraw/zinc/98/80/87/649988087.db2.gz TXZYPGYCFISLHT-CYBMUJFWSA-N 2 0 329.470 -0.553 20 30 EBEDRP C[NH+]=C(NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NCCN1CCOCC1 ZINC000303793575 649993197 /nfs/dbraw/zinc/99/31/97/649993197.db2.gz ZPHWWZLAKKWDDE-IYBDPMFKSA-N 2 0 341.500 -0.017 20 30 EBEDRP O=C(NCC#CCNC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000907297080 650080735 /nfs/dbraw/zinc/08/07/35/650080735.db2.gz WTIUDAXBTZCFLS-UHFFFAOYSA-N 2 0 330.432 -0.586 20 30 EBEDRP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C#N ZINC000912534966 650206654 /nfs/dbraw/zinc/20/66/54/650206654.db2.gz ILQSTVZGQALRLP-ILXRZTDVSA-N 2 0 333.436 -0.262 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2cncn2)C1 ZINC000969865501 725223865 /nfs/dbraw/zinc/22/38/65/725223865.db2.gz PLTABGUCGJKROA-ZBFHGGJFSA-N 2 0 330.436 -0.188 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC000993855537 725954249 /nfs/dbraw/zinc/95/42/49/725954249.db2.gz RIPGSVYTZDSOKB-INIZCTEOSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000976737883 726402566 /nfs/dbraw/zinc/40/25/66/726402566.db2.gz YRJYSFIDHDTXFQ-UIBIWLFHSA-N 2 0 344.459 -0.247 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3C)C2)CC1 ZINC001023128919 729614784 /nfs/dbraw/zinc/61/47/84/729614784.db2.gz YQWZKFNLUKVPTC-GASCZTMLSA-N 2 0 330.436 -0.103 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001027234480 730202213 /nfs/dbraw/zinc/20/22/13/730202213.db2.gz XKJTYSKZJTXZSE-ZBFHGGJFSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001030019193 730535626 /nfs/dbraw/zinc/53/56/26/730535626.db2.gz IRENFBKRFAVTKP-ZNMIVQPWSA-N 2 0 346.431 -0.530 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001030019192 730535771 /nfs/dbraw/zinc/53/57/71/730535771.db2.gz IRENFBKRFAVTKP-KKUMJFAQSA-N 2 0 346.431 -0.530 20 30 EBEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC001046083995 733856281 /nfs/dbraw/zinc/85/62/81/733856281.db2.gz GVMLLZUGLALKJW-MSOLQXFVSA-N 2 0 348.491 -0.194 20 30 EBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463793 734207731 /nfs/dbraw/zinc/20/77/31/734207731.db2.gz SUEVPTJGOATHPB-XJADACSNSA-N 2 0 333.432 -0.624 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)CC1 ZINC001050765290 734956749 /nfs/dbraw/zinc/95/67/49/734956749.db2.gz NJJBHIRUEVLEEK-UHFFFAOYSA-N 2 0 332.448 -0.259 20 30 EBEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055632699 736416943 /nfs/dbraw/zinc/41/69/43/736416943.db2.gz ZASLVPDVPPMYAI-UONOGXRCSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H](C)O)CCCO2)CC1 ZINC001073899557 741781028 /nfs/dbraw/zinc/78/10/28/741781028.db2.gz WVZJROSPDYIQJH-NVXWUHKLSA-N 2 0 337.464 -0.081 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001214665493 810270323 /nfs/dbraw/zinc/27/03/23/810270323.db2.gz DAUBJRWCJBDEAW-LXTVHRRPSA-N 2 0 335.452 -0.207 20 30 EBEDRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214888828 810288466 /nfs/dbraw/zinc/28/84/66/810288466.db2.gz CWCBUQTVRHUSTF-QLFBSQMISA-N 2 0 335.452 -0.063 20 30 EBEDRP COCC#CCN1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218965519 810548964 /nfs/dbraw/zinc/54/89/64/810548964.db2.gz MUOJCEXCFISLEF-YESZJQIVSA-N 2 0 335.448 -0.110 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@@H]2O)CC1 ZINC001221066469 811359238 /nfs/dbraw/zinc/35/92/38/811359238.db2.gz YWCQOPBLIMQLFD-UAGQMJEPSA-N 2 0 337.464 -0.346 20 30 EBEDRP N#CC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC001221371274 811447705 /nfs/dbraw/zinc/44/77/05/811447705.db2.gz WWBXXBGUCUSBLG-MRXNPFEDSA-N 2 0 327.432 -0.086 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225155323 811795870 /nfs/dbraw/zinc/79/58/70/811795870.db2.gz TZFCBXWNSVUGFF-UHFFFAOYSA-N 2 0 338.452 -0.858 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035914 812070849 /nfs/dbraw/zinc/07/08/49/812070849.db2.gz YGIWYXNMAOZBKH-AWEZNQCLSA-N 2 0 340.468 -0.164 20 30 EBEDRP C#CCN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC001262522874 813083927 /nfs/dbraw/zinc/08/39/27/813083927.db2.gz WMPNTPFVSKIPHO-FZNQNYSPSA-N 2 0 334.464 -0.001 20 30 EBEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263851668 813128779 /nfs/dbraw/zinc/12/87/79/813128779.db2.gz RXVALMCNRRFFBZ-ZQDZILKHSA-N 2 0 335.452 -0.017 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266901117 813696442 /nfs/dbraw/zinc/69/64/42/813696442.db2.gz RPRQJDBDXAMVJR-BMQFZULRSA-N 2 0 344.459 -0.488 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001267070039 813751514 /nfs/dbraw/zinc/75/15/14/813751514.db2.gz HWEWBCJOVNGMOE-LSDHHAIUSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267589974 813945478 /nfs/dbraw/zinc/94/54/78/813945478.db2.gz SLHKTXLRVPKLCT-OAHLLOKOSA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001268095111 814124122 /nfs/dbraw/zinc/12/41/22/814124122.db2.gz YCDYGERYLCUCCH-AWEZNQCLSA-N 2 0 338.452 -0.717 20 30 EBEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148926 814162436 /nfs/dbraw/zinc/16/24/36/814162436.db2.gz NPLRYRFBIXVLNQ-RWBIUQBRSA-N 2 0 345.443 -0.216 20 30 EBEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269125 814168333 /nfs/dbraw/zinc/16/83/33/814168333.db2.gz SYBKJZKKACYDGY-HUUCEWRRSA-N 2 0 335.452 -0.109 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2conc2C)CC1 ZINC001268334697 814214430 /nfs/dbraw/zinc/21/44/30/814214430.db2.gz LMBYHKAROMOHLC-INIZCTEOSA-N 2 0 334.420 -0.105 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCCO)C[C@@H]32)CC1 ZINC001083283472 814262456 /nfs/dbraw/zinc/26/24/56/814262456.db2.gz CWWBURCKXDKMEN-DLBZAZTESA-N 2 0 335.448 -0.374 20 30 EBEDRP C[C@@](C[NH2+]CC(=O)NCC#N)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269645713 814756030 /nfs/dbraw/zinc/75/60/30/814756030.db2.gz PJESUAHFDJHGOD-INIZCTEOSA-N 2 0 333.436 -0.404 20 30 EBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001269797838 815609204 /nfs/dbraw/zinc/60/92/04/815609204.db2.gz DBZAKBANUFOIHG-CABCVRRESA-N 2 0 335.452 -0.204 20 30 EBEDRP C[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271522154 816133098 /nfs/dbraw/zinc/13/30/98/816133098.db2.gz SXJZCRXLNXGVDW-UONOGXRCSA-N 2 0 335.452 -0.205 20 30 EBEDRP C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271983129 816281499 /nfs/dbraw/zinc/28/14/99/816281499.db2.gz PWIGWEIIRKFJDE-YOEHRIQHSA-N 2 0 340.468 -0.428 20 30 EBEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001272511538 816452119 /nfs/dbraw/zinc/45/21/19/816452119.db2.gz DHTZCCWYJTZOJR-HUUCEWRRSA-N 2 0 338.452 -0.818 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001272537665 816465538 /nfs/dbraw/zinc/46/55/38/816465538.db2.gz VNGWOQUPCMSIHW-CABCVRRESA-N 2 0 338.452 -0.933 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273176331 816600372 /nfs/dbraw/zinc/60/03/72/816600372.db2.gz SPBPOEJOOXWJRZ-CHWSQXEVSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273835860 816778938 /nfs/dbraw/zinc/77/89/38/816778938.db2.gz KXNFWWOPRYFLPD-GOSISDBHSA-N 2 0 348.447 -0.213 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001273995817 816833906 /nfs/dbraw/zinc/83/39/06/816833906.db2.gz UBXKVYADITXJAZ-AWEZNQCLSA-N 2 0 338.452 -0.669 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001274297855 816925867 /nfs/dbraw/zinc/92/58/67/816925867.db2.gz LJZORAPJVQHHLJ-GOEBONIOSA-N 2 0 345.447 -0.592 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](O)COC)C2)CC1 ZINC001276467249 817409524 /nfs/dbraw/zinc/40/95/24/817409524.db2.gz AAHOCWKMVBNCAG-WMLDXEAASA-N 2 0 337.464 -0.225 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC001276839573 817482367 /nfs/dbraw/zinc/48/23/67/817482367.db2.gz KLWBMFUHMIVUAT-JYJNAYRXSA-N 2 0 343.431 -0.151 20 30 EBEDRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C2)C1 ZINC001278684888 817794105 /nfs/dbraw/zinc/79/41/05/817794105.db2.gz NOSDGTIOOMCCEA-KGLIPLIRSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278756372 817809588 /nfs/dbraw/zinc/80/95/88/817809588.db2.gz OPYJAYHGAXVYHA-GJZGRUSLSA-N 2 0 338.452 -0.983 20 30 EBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001278787834 817831555 /nfs/dbraw/zinc/83/15/55/817831555.db2.gz WLTZGPCBNDQXSA-GOSISDBHSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001278828554 817856382 /nfs/dbraw/zinc/85/63/82/817856382.db2.gz OQENQZHLXAJNOT-QFBILLFUSA-N 2 0 349.475 -0.079 20 30 EBEDRP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873130 817878038 /nfs/dbraw/zinc/87/80/38/817878038.db2.gz AQNXQCGALSOLEZ-HZPDHXFCSA-N 2 0 325.453 -0.271 20 30 EBEDRP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001282960055 818551317 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-0.128 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001284918257 819407501 /nfs/dbraw/zinc/40/75/01/819407501.db2.gz CJIYYETZYHFKIJ-MRXNPFEDSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099893094 819847973 /nfs/dbraw/zinc/84/79/73/819847973.db2.gz UMEUKVMEKKENIL-HOTGVXAUSA-N 2 0 337.464 -0.081 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001100611000 820486011 /nfs/dbraw/zinc/48/60/11/820486011.db2.gz FRQAVIXIKYIDRQ-LQULJDIASA-N 2 0 335.452 -0.159 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100634863 820495978 /nfs/dbraw/zinc/49/59/78/820495978.db2.gz PJCYRCLRPZDCRD-HLIUYOAVSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267563 820742524 /nfs/dbraw/zinc/74/25/24/820742524.db2.gz JWGFTCJAVWGVGQ-AYBZRNKSSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046100 821009797 /nfs/dbraw/zinc/00/97/97/821009797.db2.gz MYXYZGAPUPIPID-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047737 821010477 /nfs/dbraw/zinc/01/04/77/821010477.db2.gz RNXYQMWSFMWIPJ-UNEWFSDZSA-N 2 0 334.464 -0.240 20 30 EBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047736 821011293 /nfs/dbraw/zinc/01/12/93/821011293.db2.gz RNXYQMWSFMWIPJ-FRFSOERESA-N 2 0 334.464 -0.240 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316665240 821826726 /nfs/dbraw/zinc/82/67/26/821826726.db2.gz UGBQINSPEIEFFE-UONOGXRCSA-N 2 0 333.436 -0.404 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106139389 822180204 /nfs/dbraw/zinc/18/02/04/822180204.db2.gz UAFJNIWCJZFUCM-BMFZPTHFSA-N 2 0 347.463 -0.348 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128773514 828524802 /nfs/dbraw/zinc/52/48/02/828524802.db2.gz AKRHLAJHXYOYPF-ZDUSSCGKSA-N 2 0 339.440 -0.422 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129891972 828689212 /nfs/dbraw/zinc/68/92/12/828689212.db2.gz AYKRIZADQKSOIN-PMPSAXMXSA-N 2 0 330.436 -0.017 20 30 EBEDRP C[NH+](C)CCOCC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001180060902 833038973 /nfs/dbraw/zinc/03/89/73/833038973.db2.gz SQXUACVBBIFGJY-UHFFFAOYSA-N 2 0 341.456 -0.529 20 30 EBEDRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001120847876 827265523 /nfs/dbraw/zinc/26/55/23/827265523.db2.gz PHAXVZUSGVIWNT-XJIRZWNVSA-N 2 0 333.436 -0.263 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690672 828315710 /nfs/dbraw/zinc/31/57/10/828315710.db2.gz PAQFOLFDRHMISF-VXGBXAGGSA-N 2 0 325.413 -0.956 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799973 829223072 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PXCJPBLQNATQII-QGZVFWFLSA-N 2 0 349.475 -0.127 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001152330027 831153124 /nfs/dbraw/zinc/15/31/24/831153124.db2.gz HXKXXMVTVRYDBC-HNNXBMFYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C#CC[C@H]([NH3+])C(=O)N1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001158380974 831650415 /nfs/dbraw/zinc/65/04/15/831650415.db2.gz GSQDLNITUXQQKS-ZLKJLUDKSA-N 2 0 347.337 -0.119 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155410 831712207 /nfs/dbraw/zinc/71/22/07/831712207.db2.gz OTMPUQXFBMFULJ-UONOGXRCSA-N 2 0 328.432 -0.100 20 30 EBEDRP C=CCOCc1nn(C)c2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001159382453 831748453 /nfs/dbraw/zinc/74/84/53/831748453.db2.gz RGBKFORDIOMDQC-CQSZACIVSA-N 2 0 345.447 -0.184 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166707524 832280952 /nfs/dbraw/zinc/28/09/52/832280952.db2.gz GZYJQUWWSBZBJY-CHWSQXEVSA-N 2 0 339.440 -0.708 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166707527 832281050 /nfs/dbraw/zinc/28/10/50/832281050.db2.gz GZYJQUWWSBZBJY-STQMWFEESA-N 2 0 339.440 -0.708 20 30 EBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166930653 832300038 /nfs/dbraw/zinc/30/00/38/832300038.db2.gz LBLOMCCXJLZMCM-OAHLLOKOSA-N 2 0 340.468 -0.115 20 30 EBEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732371 832368247 /nfs/dbraw/zinc/36/82/47/832368247.db2.gz AEKONGVRYFLMBA-UHFFFAOYSA-N 2 0 340.468 -0.257 20 30 EBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531405 832466799 /nfs/dbraw/zinc/46/67/99/832466799.db2.gz QCYGFFBBVFOHPQ-AWEZNQCLSA-N 2 0 340.468 -0.116 20 30 EBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171198178 832550591 /nfs/dbraw/zinc/55/05/91/832550591.db2.gz MJYUWARFVZSISL-UHFFFAOYSA-N 2 0 341.456 -0.577 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171363891 832558455 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338.452 -0.765 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2O)CC1 ZINC001199030208 835751943 /nfs/dbraw/zinc/75/19/43/835751943.db2.gz QYLPYJDLFJKALJ-IAGOWNOFSA-N 2 0 337.464 -0.082 20 30 EBEDRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001200643512 836004724 /nfs/dbraw/zinc/00/47/24/836004724.db2.gz DDYHAMQVICWBMQ-LSDHHAIUSA-N 2 0 335.452 -0.063 20 30 EBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200657768 836009742 /nfs/dbraw/zinc/00/97/42/836009742.db2.gz AVCJSLHKBQDZEE-HZPDHXFCSA-N 2 0 348.447 -0.820 20 30 EBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276127 836121910 /nfs/dbraw/zinc/12/19/10/836121910.db2.gz FGUZSGYWXUPKIQ-HNNXBMFYSA-N 2 0 340.468 -0.163 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201410955 836142484 /nfs/dbraw/zinc/14/24/84/836142484.db2.gz LRHJDMSFQOQGJM-CABCVRRESA-N 2 0 338.452 -0.717 20 30 EBEDRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001202162927 836264582 /nfs/dbraw/zinc/26/45/82/836264582.db2.gz BZOVWFBVGKBOGZ-CQSZACIVSA-N 2 0 339.440 -0.827 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206274231 836635717 /nfs/dbraw/zinc/63/57/17/836635717.db2.gz FIPZNWBAJMWIQR-OAHLLOKOSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001209241231 837142272 /nfs/dbraw/zinc/14/22/72/837142272.db2.gz ALUNSUHUAXMYEK-KKUMJFAQSA-N 2 0 335.452 -0.063 20 30 EBEDRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209680375 837189636 /nfs/dbraw/zinc/18/96/36/837189636.db2.gz YTYQVKJMLOGHDO-CQSZACIVSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684188 837318843 /nfs/dbraw/zinc/31/88/43/837318843.db2.gz FTPJQNYDHBUYLB-GJZGRUSLSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685285 837320410 /nfs/dbraw/zinc/32/04/10/837320410.db2.gz RYXWVMCZQHOXQU-GJZGRUSLSA-N 2 0 338.452 -0.717 20 30 EBEDRP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001320112694 838233965 /nfs/dbraw/zinc/23/39/65/838233965.db2.gz FGAUFFQOLPDIGG-CABCVRRESA-N 2 0 333.436 -0.355 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCS(C)(=O)=O)CC1 ZINC001320930156 838864888 /nfs/dbraw/zinc/86/48/88/838864888.db2.gz UWIZTRRJPPPCOF-UHFFFAOYSA-N 2 0 343.493 -0.186 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001322307212 839170275 /nfs/dbraw/zinc/17/02/75/839170275.db2.gz OZZIVUFTWGAKJQ-GOEBONIOSA-N 2 0 325.453 -0.225 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001324814542 839719154 /nfs/dbraw/zinc/71/91/54/839719154.db2.gz UZLBWFPMUWBGSW-MAUKXSAKSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1 ZINC001326329139 840086511 /nfs/dbraw/zinc/08/65/11/840086511.db2.gz GLWBUFXZOMIPMD-ZDUSSCGKSA-N 2 0 335.412 -0.479 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N)CC1 ZINC001329203007 840872795 /nfs/dbraw/zinc/87/27/95/840872795.db2.gz PVLNJXSCZXUMQM-KGLIPLIRSA-N 2 0 333.436 -0.546 20 30 EBEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)C[C@H]1C[NH+](C)C ZINC001330772416 841271064 /nfs/dbraw/zinc/27/10/64/841271064.db2.gz AWQFGXNHLPVAHV-HUUCEWRRSA-N 2 0 349.479 -0.006 20 30 EBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001332236551 841596012 /nfs/dbraw/zinc/59/60/12/841596012.db2.gz DTKGHBKCVKTTNG-CVEARBPZSA-N 2 0 346.431 -0.227 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001335570623 842306084 /nfs/dbraw/zinc/30/60/84/842306084.db2.gz PRUQHZMRIJJEOZ-CQSZACIVSA-N 2 0 336.436 -0.074 20 30 EBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001348805403 843749219 /nfs/dbraw/zinc/74/92/19/843749219.db2.gz YEFFPGKUXRPBGB-DOTOQJQBSA-N 2 0 338.452 -0.534 20 30 EBEDRP N#CCNC(=O)C[NH2+]CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001482008151 1126071574 /nfs/dbraw/zinc/07/15/74/1126071574.db2.gz XMULHHTZYYSHAQ-UHFFFAOYSA-N 2 0 347.463 -0.060 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001482696922 1126253421 /nfs/dbraw/zinc/25/34/21/1126253421.db2.gz YBFVJBTZALGEKQ-CABCVRRESA-N 2 0 332.448 -0.294 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NC(=O)NC)CC2)CC1 ZINC001483794331 1126478259 /nfs/dbraw/zinc/47/82/59/1126478259.db2.gz GEHHFKNUEKEULG-UHFFFAOYSA-N 2 0 349.435 -0.974 20 30 EBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CCCC1 ZINC001483997804 1126496269 /nfs/dbraw/zinc/49/62/69/1126496269.db2.gz YRCRESFBOXXHHQ-HUUCEWRRSA-N 2 0 335.452 -0.015 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001490664763 1129242979 /nfs/dbraw/zinc/24/29/79/1129242979.db2.gz MKFLCFURHRAZFH-ARFHVFGLSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490702293 1129249787 /nfs/dbraw/zinc/24/97/87/1129249787.db2.gz ZITWIBWEADZQIN-BBRMVZONSA-N 2 0 334.464 -0.050 20 30 EBEDRP C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC1CC[NH+](C)CC1 ZINC001363217720 1131836290 /nfs/dbraw/zinc/83/62/90/1131836290.db2.gz QZQQXVFADUPGMY-UHFFFAOYSA-N 2 0 333.440 -0.062 20 30 EBEDRP C[NH+]1CC[C@@H](CC(=O)NCC#CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635787937 377122768 /nfs/dbraw/zinc/12/27/68/377122768.db2.gz WYVNBGVYWYIROB-IYBDPMFKSA-N 2 0 334.464 -0.094 20 30 EBEDRP CN1CCC([N@@H+]2CC[C@@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2)CC1 ZINC000369244134 379378851 /nfs/dbraw/zinc/37/88/51/379378851.db2.gz PXJFVMFBQIMTPH-GFCCVEGCSA-N 2 0 346.435 -0.464 20 30 EBEDRP CN(CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)CC[NH+](C)C ZINC000288746982 380418727 /nfs/dbraw/zinc/41/87/27/380418727.db2.gz QDJBLHAXXCTEFM-UHFFFAOYSA-N 2 0 348.499 -0.203 20 30 EBEDRP OCC[NH+](CC#CC[N@@H+](CCO)C1CCOCC1)C1CCOCC1 ZINC000342121457 380755386 /nfs/dbraw/zinc/75/53/86/380755386.db2.gz FEMUCJLQKCQURM-UHFFFAOYSA-N 2 0 340.464 -0.064 20 30 EBEDRP CO[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](OC)C[C@@]2(C)CO)[C@](C)(CO)C1 ZINC000639999168 381173832 /nfs/dbraw/zinc/17/38/32/381173832.db2.gz ITBYHWZPRBEVEX-MHORFTMASA-N 2 0 340.464 -0.067 20 30 EBEDRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC#CC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000348185733 381338695 /nfs/dbraw/zinc/33/86/95/381338695.db2.gz QNZWLPHVMXQXCE-WCVJEAGWSA-N 2 0 334.464 -0.002 20 30 EBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000844195634 584091143 /nfs/dbraw/zinc/09/11/43/584091143.db2.gz XNTGLOJDJFJBDO-GJZGRUSLSA-N 2 0 328.420 -0.179 20 30 EBEDRP CNC(=O)CC1CCN(C(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1 ZINC000261687646 649984905 /nfs/dbraw/zinc/98/49/05/649984905.db2.gz DTDLFZKJESUFHR-HNNXBMFYSA-N 2 0 336.484 -0.590 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCN(C(=O)CC)C1 ZINC000261955227 649985509 /nfs/dbraw/zinc/98/55/09/649985509.db2.gz IOGDVDQYGXOKSC-HUUCEWRRSA-N 2 0 336.484 -0.448 20 30 EBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000261931394 649985519 /nfs/dbraw/zinc/98/55/19/649985519.db2.gz WIKKCCDLPATCPY-CHWSQXEVSA-N 2 0 331.486 -0.344 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCN(C(=O)C2CC2)CC1 ZINC000261869581 649985559 /nfs/dbraw/zinc/98/55/59/649985559.db2.gz SDBRVVGGGHSLTR-MRXNPFEDSA-N 2 0 348.495 -0.448 20 30 EBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(C(=O)C(C)C)CC1 ZINC000262812595 649988154 /nfs/dbraw/zinc/98/81/54/649988154.db2.gz VRITVDGOJNPALU-OAHLLOKOSA-N 2 0 336.484 -0.638 20 30 EBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(C(=O)OC)CC1 ZINC000262740732 649988277 /nfs/dbraw/zinc/98/82/77/649988277.db2.gz BYJQSCUQHMXRIH-OAHLLOKOSA-N 2 0 337.468 -0.163 20 30 EBEDRP C=C1[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000908532929 650102297 /nfs/dbraw/zinc/10/22/97/650102297.db2.gz JFOLLGSQODCTKD-HZPDHXFCSA-N 2 0 334.464 -0.171 20 30 EBEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913523066 650235449 /nfs/dbraw/zinc/23/54/49/650235449.db2.gz LAKLWSIOWINOAX-CALCHBBNSA-N 2 0 346.475 -0.235 20 30 EBEDRP C#CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)C1CC[NH+](C)CC1 ZINC000929894440 651569588 /nfs/dbraw/zinc/56/95/88/651569588.db2.gz JSDSJVPBDQFMLU-UHFFFAOYSA-N 2 0 338.452 -0.763 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2C)CC1 ZINC000945183646 653360649 /nfs/dbraw/zinc/36/06/49/653360649.db2.gz RMSPLQYSFCFAIJ-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC000993855662 725954845 /nfs/dbraw/zinc/95/48/45/725954845.db2.gz SKFDQFUHVCQVEB-UHFFFAOYSA-N 2 0 344.459 -0.246 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21 ZINC000976737873 726402527 /nfs/dbraw/zinc/40/25/27/726402527.db2.gz YNSBTNJGZPPUDO-BQJWPVKWSA-N 2 0 346.475 -0.003 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC000999903483 726540685 /nfs/dbraw/zinc/54/06/85/726540685.db2.gz MCEBNHAMUMLPRR-WMLDXEAASA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001002001918 726629757 /nfs/dbraw/zinc/62/97/57/726629757.db2.gz QIFPMHJJMHOIEG-QGZVFWFLSA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001027234479 730202261 /nfs/dbraw/zinc/20/22/61/730202261.db2.gz XKJTYSKZJTXZSE-HOCLYGCPSA-N 2 0 332.448 -0.342 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001035131304 731190692 /nfs/dbraw/zinc/19/06/92/731190692.db2.gz HFUSPZCTWXDATC-CVEARBPZSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070264340 740773436 /nfs/dbraw/zinc/77/34/36/740773436.db2.gz JCSLINSCGLRJHT-JONQDZQNSA-N 2 0 330.436 -0.017 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227303 743545998 /nfs/dbraw/zinc/54/59/98/743545998.db2.gz UBXUOERZWWYUHU-CGTJXYLNSA-N 2 0 349.475 -0.081 20 30 EBEDRP CCO[C@@H](CC[NH+](C)C)CNC(NCCN1CCOCC1)=[NH+]C ZINC000176492830 803754904 /nfs/dbraw/zinc/75/49/04/803754904.db2.gz DUVYZILWOCFKGQ-HNNXBMFYSA-N 2 0 329.489 -0.160 20 30 EBEDRP COCC#CCN1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001218966136 810549504 /nfs/dbraw/zinc/54/95/04/810549504.db2.gz WJPSZAJLQFVQJY-JKSUJKDBSA-N 2 0 333.432 -0.356 20 30 EBEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NCCC2(O)C[NH2+]C2)C1 ZINC001219696597 810799624 /nfs/dbraw/zinc/79/96/24/810799624.db2.gz KOWPHUVKVQLZHE-CJNGLKHVSA-N 2 0 328.416 -0.081 20 30 EBEDRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC[NH2+]CC1 ZINC001220001764 810942089 /nfs/dbraw/zinc/94/20/89/810942089.db2.gz XAGRQNRDEPAZIX-AWEZNQCLSA-N 2 0 330.388 -0.161 20 30 EBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220415504 811100563 /nfs/dbraw/zinc/10/05/63/811100563.db2.gz MQFYFEHWUJLPBN-NSHDSACASA-N 2 0 335.368 -0.942 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001226323195 811859967 /nfs/dbraw/zinc/85/99/67/811859967.db2.gz IVVXPHIFVSDEOH-KBUPBQIOSA-N 2 0 335.452 -0.017 20 30 EBEDRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC#CC[NH+](C)C)C2 ZINC001228021231 811957090 /nfs/dbraw/zinc/95/70/90/811957090.db2.gz RTJPFQBXRDNQJK-MQVJKMGUSA-N 2 0 349.479 -0.066 20 30 EBEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001264080712 813148306 /nfs/dbraw/zinc/14/83/06/813148306.db2.gz UNAHMDMJWOXYNB-DLBZAZTESA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264408519 813172330 /nfs/dbraw/zinc/17/23/30/813172330.db2.gz KRPJUOAGYLTCGJ-QXSJWSMHSA-N 2 0 334.464 -0.050 20 30 EBEDRP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001264643857 813192777 /nfs/dbraw/zinc/19/27/77/813192777.db2.gz LEORVJLNFVJJEV-WCXIOVBPSA-N 2 0 346.475 -0.144 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001265374035 813313956 /nfs/dbraw/zinc/31/39/56/813313956.db2.gz FAFGQBDOSZRFFI-MRXNPFEDSA-N 2 0 334.464 -0.048 20 30 EBEDRP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001265680824 813358353 /nfs/dbraw/zinc/35/83/53/813358353.db2.gz XLJIZJRPCSTRDN-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001266626500 813626341 /nfs/dbraw/zinc/62/63/41/813626341.db2.gz MHFKFAIMKQTWBP-KLHDSHLOSA-N 2 0 332.448 -0.011 20 30 EBEDRP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001268115569 814129821 /nfs/dbraw/zinc/12/98/21/814129821.db2.gz UZTOSZLUHJDNID-CQSZACIVSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001268236711 814152529 /nfs/dbraw/zinc/15/25/29/814152529.db2.gz NYTZUWNZQCKSIK-IRXDYDNUSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1nnnn1C ZINC001268799161 814389544 /nfs/dbraw/zinc/38/95/44/814389544.db2.gz VPXSDMJNSCRDAA-KBPBESRZSA-N 2 0 333.440 -0.193 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001270602760 815824996 /nfs/dbraw/zinc/82/49/96/815824996.db2.gz HUSDSHVCRVVOPV-KBPBESRZSA-N 2 0 347.467 -0.042 20 30 EBEDRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001271424114 816102441 /nfs/dbraw/zinc/10/24/41/816102441.db2.gz BFLNWGCYERUZJY-DZGCQCFKSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001271522153 816133528 /nfs/dbraw/zinc/13/35/28/816133528.db2.gz SXJZCRXLNXGVDW-KGLIPLIRSA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001271629091 816169088 /nfs/dbraw/zinc/16/90/88/816169088.db2.gz LZLKDBNQQNUUMD-GJZGRUSLSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271873648 816242066 /nfs/dbraw/zinc/24/20/66/816242066.db2.gz LBQKJQQARHQRKK-CAOSSQGBSA-N 2 0 332.448 -0.391 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]3C2)CC1 ZINC001088212115 816649603 /nfs/dbraw/zinc/64/96/03/816649603.db2.gz QHNKNSIVMFISSO-CVEARBPZSA-N 2 0 332.448 -0.403 20 30 EBEDRP C=CCOC[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274605761 817034327 /nfs/dbraw/zinc/03/43/27/817034327.db2.gz PXTBFOPRXQLHAH-WBVHZDCISA-N 2 0 341.452 -0.585 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278756370 817809348 /nfs/dbraw/zinc/80/93/48/817809348.db2.gz OPYJAYHGAXVYHA-CABCVRRESA-N 2 0 338.452 -0.983 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)COC)CC1 ZINC001278839378 817859458 /nfs/dbraw/zinc/85/94/58/817859458.db2.gz POJSJDVLVPJSPR-ZBFHGGJFSA-N 2 0 325.453 -0.225 20 30 EBEDRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001279229010 817912805 /nfs/dbraw/zinc/91/28/05/817912805.db2.gz IBLHHBHITIITDG-NRXISQOPSA-N 2 0 333.436 -0.453 20 30 EBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001279415757 817927521 /nfs/dbraw/zinc/92/75/21/817927521.db2.gz DJLYJNTVIWYGKR-OWCLPIDISA-N 2 0 347.463 -0.109 20 30 EBEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001281193163 818072442 /nfs/dbraw/zinc/07/24/42/818072442.db2.gz RCYLKPWHHLJJND-FUHWJXTLSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC2(CO)CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001281821436 818285767 /nfs/dbraw/zinc/28/57/67/818285767.db2.gz VZGCKZNMQYIBSJ-OAHLLOKOSA-N 2 0 337.464 -0.345 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)CC1 ZINC001283830712 818990864 /nfs/dbraw/zinc/99/08/64/818990864.db2.gz FQUNYYLBAXRUBK-KRWDZBQOSA-N 2 0 337.464 -0.175 20 30 EBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321665 819184614 /nfs/dbraw/zinc/18/46/14/819184614.db2.gz CDYSJISQTOAXBV-HUUCEWRRSA-N 2 0 334.464 -0.096 20 30 EBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099893096 819848169 /nfs/dbraw/zinc/84/81/69/819848169.db2.gz UMEUKVMEKKENIL-JKSUJKDBSA-N 2 0 337.464 -0.081 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCC)C[C@H]2O)CC1 ZINC001100122000 820250864 /nfs/dbraw/zinc/25/08/64/820250864.db2.gz JYKAIBUFKFRWDW-DLBZAZTESA-N 2 0 337.464 -0.081 20 30 EBEDRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001100785517 820553397 /nfs/dbraw/zinc/55/33/97/820553397.db2.gz NXGINSSBAUOUGN-UHFFFAOYSA-N 2 0 335.452 -0.158 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341250 820760013 /nfs/dbraw/zinc/76/00/13/820760013.db2.gz DFAWUJWSWJYFJQ-QAPCUYQASA-N 2 0 346.475 -0.142 20 30 EBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101398054 820778876 /nfs/dbraw/zinc/77/88/76/820778876.db2.gz UQPDULFZRKKIBI-QAPCUYQASA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101443488 820790762 /nfs/dbraw/zinc/79/07/62/820790762.db2.gz HGRIKTCSILMTTL-QAPCUYQASA-N 2 0 334.464 -0.142 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001317333990 822086597 /nfs/dbraw/zinc/08/65/97/822086597.db2.gz PJOHPZRWPIVLPT-JYJNAYRXSA-N 2 0 334.464 -0.096 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317574120 822160326 /nfs/dbraw/zinc/16/03/26/822160326.db2.gz UYGJXRFUQWSBEC-GFCCVEGCSA-N 2 0 325.413 -0.860 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317574121 822161529 /nfs/dbraw/zinc/16/15/29/822161529.db2.gz UYGJXRFUQWSBEC-LBPRGKRZSA-N 2 0 325.413 -0.860 20 30 EBEDRP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001317840795 822223250 /nfs/dbraw/zinc/22/32/50/822223250.db2.gz VFYPCYKDURXVLD-CQSZACIVSA-N 2 0 335.452 -0.109 20 30 EBEDRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106662929 822308635 /nfs/dbraw/zinc/30/86/35/822308635.db2.gz KIBRSZXMTOWRAP-RBSFLKMASA-N 2 0 335.452 -0.205 20 30 EBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129879217 828686052 /nfs/dbraw/zinc/68/60/52/828686052.db2.gz XSDVQAPPTHSKJS-KFWWJZLASA-N 2 0 336.415 -0.067 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949649 828699340 /nfs/dbraw/zinc/69/93/40/828699340.db2.gz HEPQRWZBEHEMFG-OLZOCXBDSA-N 2 0 341.456 -0.321 20 30 EBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983119 828707752 /nfs/dbraw/zinc/70/77/52/828707752.db2.gz NDUCXKWAGLYLOC-CABCVRRESA-N 2 0 330.436 -0.015 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741920 826330805 /nfs/dbraw/zinc/33/08/05/826330805.db2.gz YIJZDTPOVKGKNG-KBXIAJHMSA-N 2 0 332.448 -0.488 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769437 826338167 /nfs/dbraw/zinc/33/81/67/826338167.db2.gz FRKZGFJWOSTADV-ARLBYUKCSA-N 2 0 332.448 -0.488 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001186980755 833446531 /nfs/dbraw/zinc/44/65/31/833446531.db2.gz DQOKPJJLZHXWRI-MRXNPFEDSA-N 2 0 347.463 -0.061 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001183398790 833289206 /nfs/dbraw/zinc/28/92/06/833289206.db2.gz HTJCWNHEDBTCDB-JKIFEVAISA-N 2 0 335.452 -0.348 20 30 EBEDRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001183398789 833289258 /nfs/dbraw/zinc/28/92/58/833289258.db2.gz HTJCWNHEDBTCDB-CKEIUWERSA-N 2 0 335.452 -0.348 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183410988 833289625 /nfs/dbraw/zinc/28/96/25/833289625.db2.gz VGHYTPZBUIRCIB-IIDMSEBBSA-N 2 0 334.464 -0.238 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581524 833296313 /nfs/dbraw/zinc/29/63/13/833296313.db2.gz MAEZYYSADNVZMZ-CHWSQXEVSA-N 2 0 339.440 -0.471 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127067472 828247275 /nfs/dbraw/zinc/24/72/75/828247275.db2.gz XMJNYNWYHJOGKW-CYBMUJFWSA-N 2 0 339.440 -0.423 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185680940 833366745 /nfs/dbraw/zinc/36/67/45/833366745.db2.gz HNOFGYLCKRICCM-CVEARBPZSA-N 2 0 334.464 -0.094 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133246315 829610178 /nfs/dbraw/zinc/61/01/78/829610178.db2.gz USNMHRQDWUHGMT-HOTGVXAUSA-N 2 0 346.475 -0.094 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@H](O)COC)C2)CC1 ZINC001211233455 837412775 /nfs/dbraw/zinc/41/27/75/837412775.db2.gz FPXIJBHZNXGEFT-SJORKVTESA-N 2 0 337.464 -0.081 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877556 830424726 /nfs/dbraw/zinc/42/47/26/830424726.db2.gz LKSRMEVFZYQCAZ-GFCCVEGCSA-N 2 0 325.413 -0.954 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900504 830428090 /nfs/dbraw/zinc/42/80/90/830428090.db2.gz OXHANMCSOWIRQU-CHWSQXEVSA-N 2 0 339.440 -0.566 20 30 EBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365411 830476014 /nfs/dbraw/zinc/47/60/14/830476014.db2.gz OVWXVYUXOLYTIZ-CYBMUJFWSA-N 2 0 341.456 -0.176 20 30 EBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCC3(CC([NH3+])C3)CC2)C1 ZINC001158082020 831626442 /nfs/dbraw/zinc/62/64/42/831626442.db2.gz LRHPJVRIYYJFEN-NEPJUHHUSA-N 2 0 331.438 -0.577 20 30 EBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091553 831626953 /nfs/dbraw/zinc/62/69/53/831626953.db2.gz FMROMTRPJGPDFJ-YOEHRIQHSA-N 2 0 327.388 -0.881 20 30 EBEDRP C#CC[C@H]([NH3+])C(=O)N1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158380970 831650432 /nfs/dbraw/zinc/65/04/32/831650432.db2.gz GSQDLNITUXQQKS-GDLCADMTSA-N 2 0 347.337 -0.119 20 30 EBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166931511 832300369 /nfs/dbraw/zinc/30/03/69/832300369.db2.gz XHWARMAOSXOHNE-OAHLLOKOSA-N 2 0 338.452 -0.667 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166978841 832305888 /nfs/dbraw/zinc/30/58/88/832305888.db2.gz CHZOITJMGYIHME-UHFFFAOYSA-N 2 0 334.464 -0.046 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176071626 832655978 /nfs/dbraw/zinc/65/59/78/832655978.db2.gz HDAYXYZPSIHVPL-GFCCVEGCSA-N 2 0 325.413 -0.954 20 30 EBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161802 832660398 /nfs/dbraw/zinc/66/03/98/832660398.db2.gz RSIPXHQRSQYPQA-HUUCEWRRSA-N 2 0 340.468 -0.259 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCS(C)(=O)=O)CC1 ZINC001176926098 832711579 /nfs/dbraw/zinc/71/15/79/832711579.db2.gz GNZYQJROXGOAQS-UHFFFAOYSA-N 2 0 343.493 -0.138 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001176926910 832712245 /nfs/dbraw/zinc/71/22/45/832712245.db2.gz YPCGETQECSRGTP-CQSZACIVSA-N 2 0 334.420 -0.767 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC=C)C2)CC1 ZINC001188091531 834000361 /nfs/dbraw/zinc/00/03/61/834000361.db2.gz MFBGFUPSQJAFRL-MRXNPFEDSA-N 2 0 332.448 -0.176 20 30 EBEDRP C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801452 834193631 /nfs/dbraw/zinc/19/36/31/834193631.db2.gz GWLQTMGZAQZMBY-OWCLPIDISA-N 2 0 344.459 -0.247 20 30 EBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192143077 834616516 /nfs/dbraw/zinc/61/65/16/834616516.db2.gz KYUDXHPUHQUFCP-HOCLYGCPSA-N 2 0 334.464 -0.001 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)CC1 ZINC001194247290 835060055 /nfs/dbraw/zinc/06/00/55/835060055.db2.gz VVBOKYWBZIUGDK-QGZVFWFLSA-N 2 0 337.464 -0.127 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2O)CC1 ZINC001199029559 835752011 /nfs/dbraw/zinc/75/20/11/835752011.db2.gz LGQXLNCSXNRTGX-IAGOWNOFSA-N 2 0 337.464 -0.081 20 30 EBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658074 836011174 /nfs/dbraw/zinc/01/11/74/836011174.db2.gz GZQLYFQLVVLGNT-CABCVRRESA-N 2 0 349.435 -0.930 20 30 EBEDRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001200795582 836035473 /nfs/dbraw/zinc/03/54/73/836035473.db2.gz LDUHAIGDFIIESG-ZIAGYGMSSA-N 2 0 339.440 -0.827 20 30 EBEDRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201277355 836122105 /nfs/dbraw/zinc/12/21/05/836122105.db2.gz QGJZGIXIUJXRPX-AWEZNQCLSA-N 2 0 339.440 -0.825 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201679556 836175668 /nfs/dbraw/zinc/17/56/68/836175668.db2.gz WTJAPIDNZPAKBW-OAHLLOKOSA-N 2 0 338.452 -0.715 20 30 EBEDRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001201688342 836177540 /nfs/dbraw/zinc/17/75/40/836177540.db2.gz PBNQPHIQLHLDKO-AWEZNQCLSA-N 2 0 339.440 -0.825 20 30 EBEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862413 836206807 /nfs/dbraw/zinc/20/68/07/836206807.db2.gz AOZMTZUZUBZQKR-INIZCTEOSA-N 2 0 343.468 -0.026 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201930183 836217069 /nfs/dbraw/zinc/21/70/69/836217069.db2.gz BLCRDERBZYQHNB-HNNXBMFYSA-N 2 0 338.452 -0.715 20 30 EBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203331083 836420464 /nfs/dbraw/zinc/42/04/64/836420464.db2.gz ZEJHQSIYFOWVFH-CQSZACIVSA-N 2 0 338.452 -0.717 20 30 EBEDRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001205334919 836559207 /nfs/dbraw/zinc/55/92/07/836559207.db2.gz SXZRCPQYMHLPKS-UKRRQHHQSA-N 2 0 335.452 -0.205 20 30 EBEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206275629 836635093 /nfs/dbraw/zinc/63/50/93/836635093.db2.gz XIWBUFQKTDPVCP-AWEZNQCLSA-N 2 0 335.452 -0.061 20 30 EBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928917 836716531 /nfs/dbraw/zinc/71/65/31/836716531.db2.gz MZENMHIEINLSMP-HOCLYGCPSA-N 2 0 334.464 -0.096 20 30 EBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208056130 836937263 /nfs/dbraw/zinc/93/72/63/836937263.db2.gz KLMKAVAJRQJDSJ-CABCVRRESA-N 2 0 333.436 -0.451 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445142 837168020 /nfs/dbraw/zinc/16/80/20/837168020.db2.gz LHYCNHVYYXGYQC-ZDUSSCGKSA-N 2 0 339.440 -0.470 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2cc(C)no2)CC1 ZINC001320315556 838756464 /nfs/dbraw/zinc/75/64/64/838756464.db2.gz JAKCDQROEXBPGZ-HNNXBMFYSA-N 2 0 334.420 -0.105 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@@H+](CCOC)C2)CC1 ZINC001325866394 839963000 /nfs/dbraw/zinc/96/30/00/839963000.db2.gz WIACWWZBJRYMKB-SFHVURJKSA-N 2 0 337.464 -0.079 20 30 EBEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001327671376 840490938 /nfs/dbraw/zinc/49/09/38/840490938.db2.gz NADILHBJBVJIBF-UHFFFAOYSA-N 2 0 336.436 -0.913 20 30 EBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001330605649 841244410 /nfs/dbraw/zinc/24/44/10/841244410.db2.gz SBTZEUSGHOIVGJ-RBSFLKMASA-N 2 0 335.452 -0.015 20 30 EBEDRP C=CCO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001331056727 841325095 /nfs/dbraw/zinc/32/50/95/841325095.db2.gz NNJVYJUESPXFDT-OAHLLOKOSA-N 2 0 340.468 -0.258 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331280967 841385492 /nfs/dbraw/zinc/38/54/92/841385492.db2.gz JRALVQBPZKIWEL-DLBZAZTESA-N 2 0 346.475 -0.096 20 30 EBEDRP C#CCNC(=O)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001332115433 841575933 /nfs/dbraw/zinc/57/59/33/841575933.db2.gz DBAOYWLGYFHELD-IIDMSEBBSA-N 2 0 332.448 -0.199 20 30 EBEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001332529050 841662589 /nfs/dbraw/zinc/66/25/89/841662589.db2.gz LZFTWXPCSXEEAH-HNNXBMFYSA-N 2 0 325.453 -0.223 20 30 EBEDRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001691365523 1125853946 /nfs/dbraw/zinc/85/39/46/1125853946.db2.gz DGECSOWXKXUJFL-QLFBSQMISA-N 2 0 335.452 -0.063 20 30 EBEDRP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365739 1126139443 /nfs/dbraw/zinc/13/94/43/1126139443.db2.gz XQJWTOHLFMTDCK-OLZOCXBDSA-N 2 0 339.440 -0.614 20 30 EBEDRP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001280394651 1126178383 /nfs/dbraw/zinc/17/83/83/1126178383.db2.gz UIAFSLALEKGOIL-UHFFFAOYSA-N 2 0 344.459 -0.244 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001280458242 1126327404 /nfs/dbraw/zinc/32/74/04/1126327404.db2.gz VOPGBJFDKPKRDO-CQSZACIVSA-N 2 0 333.436 -0.307 20 30 EBEDRP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001484012772 1126497338 /nfs/dbraw/zinc/49/73/38/1126497338.db2.gz MKQYCLGPHXTRPM-HNNXBMFYSA-N 2 0 347.463 -0.013 20 30 EBEDRP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485643597 1126786889 /nfs/dbraw/zinc/78/68/89/1126786889.db2.gz LHBJXAKNDLNMGR-KGLIPLIRSA-N 2 0 326.441 -0.554 20 30 EBEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001486359514 1127153835 /nfs/dbraw/zinc/15/38/35/1127153835.db2.gz YEPWCVCOGJEISC-HZPDHXFCSA-N 2 0 325.453 -0.271 20 30 EBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001093224399 1128308986 /nfs/dbraw/zinc/30/89/86/1128308986.db2.gz USGCAZNSQDADGG-IIAWOOMASA-N 2 0 334.464 -0.111 20 30 EBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491169905 1130347994 /nfs/dbraw/zinc/34/79/94/1130347994.db2.gz HQOCCFNNHNGDLJ-HNNXBMFYSA-N 2 0 334.464 -0.094 20 30 EBEDRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1cnc(C#N)n1 ZINC001363147746 1131803658 /nfs/dbraw/zinc/80/36/58/1131803658.db2.gz CELIRPXAQUJDJB-MGPQQGTHSA-N 2 0 333.440 -0.091 20 30 EBEDRP