smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@@H]([NH2+]CC#CC[NH2+][C@@H](C(N)=O)C(C)(C)C)C(N)=O ZINC000284240146 335010464 /nfs/dbraw/zinc/01/04/64/335010464.db2.gz VQJXVJQVRUQCJJ-RYUDHWBXSA-N 2 0 310.442 -0.031 20 30 DBEDRP CNC(=O)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000625480045 374657901 /nfs/dbraw/zinc/65/79/01/374657901.db2.gz UKVMKRJHFYRCHW-KBPBESRZSA-N 2 0 306.410 -0.874 20 30 DBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cnn(C)c1 ZINC000088799169 375165687 /nfs/dbraw/zinc/16/56/87/375165687.db2.gz FUIZSSAANRKKPA-AWEZNQCLSA-N 2 0 307.446 -0.327 20 30 DBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595156270 375978507 /nfs/dbraw/zinc/97/85/07/375978507.db2.gz UGVARJKMACQELL-MRXNPFEDSA-N 2 0 323.441 -0.300 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000491811397 380990537 /nfs/dbraw/zinc/99/05/37/380990537.db2.gz CUBYJHDIZOPERA-HNNXBMFYSA-N 2 0 321.421 -0.105 20 30 DBEDRP COCCNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264110363 533339600 /nfs/dbraw/zinc/33/96/00/533339600.db2.gz OQWWYDROAVYVEI-UHFFFAOYSA-N 2 0 306.414 -0.116 20 30 DBEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[NH+]2CCN1CC2 ZINC000179018691 392792221 /nfs/dbraw/zinc/79/22/21/392792221.db2.gz JWULTCOBIUERFI-ZDUSSCGKSA-N 2 0 306.414 -0.044 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659704438 412109667 /nfs/dbraw/zinc/10/96/67/412109667.db2.gz QBJJCYJHWNBHOX-UHFFFAOYSA-N 2 0 306.410 -0.297 20 30 DBEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000662404920 412181857 /nfs/dbraw/zinc/18/18/57/412181857.db2.gz RVYRKVBXWXDQNT-CJNGLKHVSA-N 2 0 308.426 -0.002 20 30 DBEDRP C=CC[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000662404923 412182448 /nfs/dbraw/zinc/18/24/48/412182448.db2.gz RVYRKVBXWXDQNT-XJKSGUPXSA-N 2 0 308.426 -0.002 20 30 DBEDRP NC(=O)C[C@H]1CC[N@H+](CC#CC[NH+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000676923110 544881038 /nfs/dbraw/zinc/88/10/38/544881038.db2.gz BQJSQAPYGJQJMK-OKILXGFUSA-N 2 0 306.410 -0.616 20 30 DBEDRP C[NH+]=C(NCCNS(C)(=O)=O)NC1CC[NH+](C(C)C)CC1 ZINC000172288900 526360676 /nfs/dbraw/zinc/36/06/76/526360676.db2.gz NIGXXTAVVXFGDX-UHFFFAOYSA-N 2 0 319.475 -0.427 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981542640 665856344 /nfs/dbraw/zinc/85/63/44/665856344.db2.gz VJNAZOZIGPYIKW-HUUCEWRRSA-N 2 0 320.437 -0.166 20 30 DBEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001023086248 664440634 /nfs/dbraw/zinc/44/06/34/664440634.db2.gz GBVFEGKPUNYNPV-KBXIAJHMSA-N 2 0 320.437 -0.038 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](CC)C(N)=O)C2)CC1 ZINC001023128168 664449968 /nfs/dbraw/zinc/44/99/68/664449968.db2.gz SGLZDZXJUCQXEL-QLFBSQMISA-N 2 0 320.437 -0.168 20 30 DBEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798652 665087979 /nfs/dbraw/zinc/08/79/79/665087979.db2.gz CIOJZSUTOUMMRO-OWYFMNJBSA-N 2 0 303.406 -0.081 20 30 DBEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798853 665088618 /nfs/dbraw/zinc/08/86/18/665088618.db2.gz LJWSKMZEIHHHIL-ARKGTOAJSA-N 2 0 303.406 -0.081 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911236883 674693091 /nfs/dbraw/zinc/69/30/91/674693091.db2.gz VKJXNDITWZEONV-ZDUSSCGKSA-N 2 0 308.426 -0.051 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911235310 674695689 /nfs/dbraw/zinc/69/56/89/674695689.db2.gz BUNKRZTWWMVZMW-INIZCTEOSA-N 2 0 324.425 -0.935 20 30 DBEDRP C#CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000929749261 674998813 /nfs/dbraw/zinc/99/88/13/674998813.db2.gz DUIJUWMIVLDZAG-CQSZACIVSA-N 2 0 322.453 -0.001 20 30 DBEDRP C=C(C[NH+](C)C)C(=O)NC1(C)CN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000913839749 675006026 /nfs/dbraw/zinc/00/60/26/675006026.db2.gz CJOMHXRTLCNRKM-UHFFFAOYSA-N 2 0 308.426 -0.061 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@@H](COC)C1 ZINC000261755714 670842986 /nfs/dbraw/zinc/84/29/86/670842986.db2.gz CNSJDZYDRMDCQC-ZIAGYGMSSA-N 2 0 313.446 -0.845 20 30 DBEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698610 670968031 /nfs/dbraw/zinc/96/80/31/670968031.db2.gz OABKHMLPVIKUKS-BOLLXYOYSA-N 2 0 303.406 -0.079 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCN(C2CC2)C1 ZINC000261976572 671161706 /nfs/dbraw/zinc/16/17/06/671161706.db2.gz NQRBXMYBXFJOLH-DZGCQCFKSA-N 3 0 306.458 -0.612 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(CC(C)C)CC1 ZINC000262805381 671587753 /nfs/dbraw/zinc/58/77/53/671587753.db2.gz SMTFEWZLBNXVEH-MRXNPFEDSA-N 2 0 322.501 -0.165 20 30 DBEDRP C[NH+]=C(NCCNS(C)(=O)=O)NC1CC[NH+](C2CC2)CC1 ZINC000085500531 671627678 /nfs/dbraw/zinc/62/76/78/671627678.db2.gz PTFOICXKVBKRMW-UHFFFAOYSA-N 2 0 317.459 -0.673 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001030019198 671854940 /nfs/dbraw/zinc/85/49/40/671854940.db2.gz KINLOUXLNWXSOB-KKUMJFAQSA-N 2 0 320.437 -0.072 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C[C@H]2C)CC1 ZINC000989828453 672609399 /nfs/dbraw/zinc/60/93/99/672609399.db2.gz DCLHQPLMQLKDSR-OCCSQVGLSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999963491 678780277 /nfs/dbraw/zinc/78/02/77/678780277.db2.gz QZKMDHVBKMOOBT-LSDHHAIUSA-N 2 0 316.409 -0.132 20 30 DBEDRP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000043356 678793349 /nfs/dbraw/zinc/79/33/49/678793349.db2.gz KEPKOCAILVZARE-DZGCQCFKSA-N 2 0 316.409 -0.274 20 30 DBEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000843886498 805638100 /nfs/dbraw/zinc/63/81/00/805638100.db2.gz SYBUGZXNBDWWKA-AWEZNQCLSA-N 2 0 308.426 -0.085 20 30 DBEDRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)ccn2)CC1 ZINC000844194485 805652790 /nfs/dbraw/zinc/65/27/90/805652790.db2.gz ITOQBSFZDGGYIO-KGLIPLIRSA-N 2 0 314.393 -0.325 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316621526 805969604 /nfs/dbraw/zinc/96/96/04/805969604.db2.gz CPZNTELSDNRWOU-KBXIAJHMSA-N 2 0 322.453 -0.051 20 30 DBEDRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852794015 805975579 /nfs/dbraw/zinc/97/55/79/805975579.db2.gz JYTXNFDUAMFTTI-CQSZACIVSA-N 2 0 306.410 -0.697 20 30 DBEDRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852864364 805983595 /nfs/dbraw/zinc/98/35/95/805983595.db2.gz TYRFJMMJNFNHEH-HNNXBMFYSA-N 2 0 320.437 -0.307 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316842622 806005371 /nfs/dbraw/zinc/00/53/71/806005371.db2.gz JUZQPLCYLQPBIG-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001317023637 806072152 /nfs/dbraw/zinc/07/21/52/806072152.db2.gz RGXZEIAOCFHVHR-OAHLLOKOSA-N 2 0 320.437 -0.438 20 30 DBEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](CC)CC ZINC001317062737 806078870 /nfs/dbraw/zinc/07/88/70/806078870.db2.gz PMIOVVMMBUQNGM-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001317078266 806084193 /nfs/dbraw/zinc/08/41/93/806084193.db2.gz MLLCXJUHDAFWCV-ZQDZILKHSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)COC)C2)CC1 ZINC001317093084 806087279 /nfs/dbraw/zinc/08/72/79/806087279.db2.gz MRFZJYSFOOQPRT-JYJNAYRXSA-N 2 0 323.437 -0.424 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317111554 806090626 /nfs/dbraw/zinc/09/06/26/806090626.db2.gz HSBDOVYCKGGNEJ-XQLPTFJDSA-N 2 0 322.453 -0.053 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317116842 806091765 /nfs/dbraw/zinc/09/17/65/806091765.db2.gz NNFGWVXHFLXSJD-MELADBBJSA-N 2 0 308.426 -0.297 20 30 DBEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001317269120 806119832 /nfs/dbraw/zinc/11/98/32/806119832.db2.gz BJFHRSIAFAYGBD-LBPRGKRZSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317334341 806134644 /nfs/dbraw/zinc/13/46/44/806134644.db2.gz MSIXDSYDVSIFLZ-AWEZNQCLSA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001317410172 806145974 /nfs/dbraw/zinc/14/59/74/806145974.db2.gz WMGSESCMMFKDBL-HNNXBMFYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001318665575 806319793 /nfs/dbraw/zinc/31/97/93/806319793.db2.gz ANLFOWOQAVURHJ-AWEZNQCLSA-N 2 0 320.437 -0.294 20 30 DBEDRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243349 806356179 /nfs/dbraw/zinc/35/61/79/806356179.db2.gz CUGFOBHRQQKHOV-STQMWFEESA-N 2 0 309.414 -0.690 20 30 DBEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CC(=O)NCC#N ZINC001319256206 806358100 /nfs/dbraw/zinc/35/81/00/806358100.db2.gz CEKPNBDWRAOUCN-AWEZNQCLSA-N 2 0 323.441 -0.300 20 30 DBEDRP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C[NH2+]CC(=O)NCC#N ZINC001319271536 806359027 /nfs/dbraw/zinc/35/90/27/806359027.db2.gz JXUADPMMSGSTAK-BBRMVZONSA-N 2 0 321.425 -0.546 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(N)=O)CCCC2)CC1 ZINC001319389994 806374120 /nfs/dbraw/zinc/37/41/20/806374120.db2.gz UVUCGTHBWGWLHR-UHFFFAOYSA-N 2 0 320.437 -0.165 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319642834 806399629 /nfs/dbraw/zinc/39/96/29/806399629.db2.gz KVQCZIJDBWNSBK-HUUCEWRRSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320610004 806509237 /nfs/dbraw/zinc/50/92/37/806509237.db2.gz ZBKKHJMZEFAJJC-ZIAGYGMSSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321249090 806594976 /nfs/dbraw/zinc/59/49/76/806594976.db2.gz HYSOVNCGVOSQKE-ZRUQZJFASA-N 2 0 306.410 -0.660 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321552217 806639461 /nfs/dbraw/zinc/63/94/61/806639461.db2.gz URQYHIXSBYKKQL-RDBSUJKOSA-N 2 0 310.442 -0.195 20 30 DBEDRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321663951 806654546 /nfs/dbraw/zinc/65/45/46/806654546.db2.gz YAKIQGOKLQCODN-ZIAGYGMSSA-N 2 0 323.441 -0.017 20 30 DBEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001321842002 806677979 /nfs/dbraw/zinc/67/79/79/806677979.db2.gz KEDDPRJVHJUZJY-STQMWFEESA-N 2 0 309.414 -0.407 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001322086853 806708619 /nfs/dbraw/zinc/70/86/19/806708619.db2.gz DSHPNHRPNCZDQF-UONOGXRCSA-N 2 0 322.453 -0.097 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC000876509408 806787587 /nfs/dbraw/zinc/78/75/87/806787587.db2.gz CSAVXMNKWVLJOE-MRXNPFEDSA-N 2 0 313.405 -0.234 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001323519629 806883116 /nfs/dbraw/zinc/88/31/16/806883116.db2.gz PKGQQVSIIVGFBZ-LBPRGKRZSA-N 2 0 307.398 -0.651 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001324131082 806946294 /nfs/dbraw/zinc/94/62/94/806946294.db2.gz UAXNWICGGGMIPI-KGLIPLIRSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001324261549 806957276 /nfs/dbraw/zinc/95/72/76/806957276.db2.gz CJPWWYUSAVPWCX-ZBFHGGJFSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001324261544 806957565 /nfs/dbraw/zinc/95/75/65/806957565.db2.gz CJPWWYUSAVPWCX-GDBMZVCRSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769859 807005506 /nfs/dbraw/zinc/00/55/06/807005506.db2.gz HEYMYFLTMYBYIF-CJNGLKHVSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277995894 803740204 /nfs/dbraw/zinc/74/02/04/803740204.db2.gz XXNMBUYXTXRVAW-HIFRSBDPSA-N 2 0 310.442 -0.242 20 30 DBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278084914 803752076 /nfs/dbraw/zinc/75/20/76/803752076.db2.gz IFIHLPXPWGZWCF-GJZGRUSLSA-N 2 0 309.410 -0.955 20 30 DBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278084913 803752267 /nfs/dbraw/zinc/75/22/67/803752267.db2.gz IFIHLPXPWGZWCF-CABCVRRESA-N 2 0 309.410 -0.955 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278201402 803767895 /nfs/dbraw/zinc/76/78/95/803767895.db2.gz FZWWXUXTKNFKBK-HUUCEWRRSA-N 2 0 311.426 -0.423 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278418205 803790031 /nfs/dbraw/zinc/79/00/31/803790031.db2.gz ZFYIKAGBGJZCPO-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303984876 803835770 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826905987 /nfs/dbraw/zinc/90/59/87/826905987.db2.gz TZGUVOXNXCPRAO-RUXDESIVSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100426324 826964302 /nfs/dbraw/zinc/96/43/02/826964302.db2.gz BQKSADKEVAHLDW-XUJLQICISA-N 2 0 322.453 -0.194 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620927 826991391 /nfs/dbraw/zinc/99/13/91/826991391.db2.gz FDPSHIRMFSWGIZ-NFOMZHRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100829623 827030982 /nfs/dbraw/zinc/03/09/82/827030982.db2.gz DBCOBKBZURMEHH-UHFFFAOYSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100872960 827039668 /nfs/dbraw/zinc/03/96/68/827039668.db2.gz PMOJPZKVPMPMBK-NFOMZHRRSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351744 827101444 /nfs/dbraw/zinc/10/14/44/827101444.db2.gz MFMUDBSUTXCTCA-PBHICJAKSA-N 2 0 320.437 -0.532 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CNCc1cnn(CC)n1 ZINC001275184984 833156101 /nfs/dbraw/zinc/15/61/01/833156101.db2.gz MBTFRAKGZBJUSJ-ZFWWWQNUSA-N 2 0 318.425 -0.010 20 30 DBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290732 827194924 /nfs/dbraw/zinc/19/49/24/827194924.db2.gz SQJDWSKOXDSBFW-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320593 827198584 /nfs/dbraw/zinc/19/85/84/827198584.db2.gz KCXYOIVGLBXYIV-QLFBSQMISA-N 2 0 322.453 -0.240 20 30 DBEDRP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578277 827226822 /nfs/dbraw/zinc/22/68/22/827226822.db2.gz TXWYYRMYFCGXRU-RBSFLKMASA-N 2 0 322.453 -0.076 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164450075 833210649 /nfs/dbraw/zinc/21/06/49/833210649.db2.gz XOKSSXYGHFBZTL-CQSZACIVSA-N 2 0 323.441 -0.156 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577793 833221523 /nfs/dbraw/zinc/22/15/23/833221523.db2.gz SKSVTUZAUKTZBC-ZNMIVQPWSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001106673592 827668682 /nfs/dbraw/zinc/66/86/82/827668682.db2.gz HYQSGEJAEZKKDA-KFWWJZLASA-N 2 0 322.453 -0.240 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106909027 827684563 /nfs/dbraw/zinc/68/45/63/827684563.db2.gz AMASNEPMSXAXDL-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)N(C)CC(=O)NCC)CC1 ZINC001276010288 833234134 /nfs/dbraw/zinc/23/41/34/833234134.db2.gz FWMZCJLIPCDGPX-AWEZNQCLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001276012778 833234878 /nfs/dbraw/zinc/23/48/78/833234878.db2.gz SWRXTTQTEPDTJQ-DZGCQCFKSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+](CC)CC ZINC001166424369 833271504 /nfs/dbraw/zinc/27/15/04/833271504.db2.gz FJGZLRUZCZUTJP-CYBMUJFWSA-N 2 0 311.430 -0.158 20 30 DBEDRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167486430 833300498 /nfs/dbraw/zinc/30/04/98/833300498.db2.gz DBJNZDYIZUGVNZ-UHFFFAOYSA-N 2 0 323.441 -0.156 20 30 DBEDRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001167655447 833305708 /nfs/dbraw/zinc/30/57/08/833305708.db2.gz PWZIWPSBPUNKEO-UHFFFAOYSA-N 2 0 309.414 -0.546 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169134388 833335616 /nfs/dbraw/zinc/33/56/16/833335616.db2.gz KMHCSVIHPUBRAS-OAHLLOKOSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001117532326 828989338 /nfs/dbraw/zinc/98/93/38/828989338.db2.gz BUYAQCZQHYVLMU-HZPDHXFCSA-N 2 0 305.422 -0.001 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171218604 833367335 /nfs/dbraw/zinc/36/73/35/833367335.db2.gz QEHSUNAPQDSDDI-ZDUSSCGKSA-N 2 0 314.430 -0.649 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001171293288 833368520 /nfs/dbraw/zinc/36/85/20/833368520.db2.gz GXUYEGCTNFSWSK-CQSZACIVSA-N 2 0 320.437 -0.035 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072591 833400091 /nfs/dbraw/zinc/40/00/91/833400091.db2.gz ZMRZCVRPEKVNQS-CQSZACIVSA-N 2 0 323.441 -0.204 20 30 DBEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC001120588941 829397871 /nfs/dbraw/zinc/39/78/71/829397871.db2.gz IXILXAZZKUSUOD-HOTGVXAUSA-N 2 0 311.474 -0.192 20 30 DBEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001120588943 829398515 /nfs/dbraw/zinc/39/85/15/829398515.db2.gz IXILXAZZKUSUOD-JKSUJKDBSA-N 2 0 311.474 -0.192 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276180125 833409639 /nfs/dbraw/zinc/40/96/39/833409639.db2.gz SPKGYPHQWQVHMV-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001176926948 833437639 /nfs/dbraw/zinc/43/76/39/833437639.db2.gz ZLTIJZJCXIAVDX-AWEZNQCLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)C(=O)NC)CC1 ZINC001176926201 833436887 /nfs/dbraw/zinc/43/68/87/833436887.db2.gz IYUALPIWRAPYBZ-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](O)COC)CC1 ZINC001176926644 833437432 /nfs/dbraw/zinc/43/74/32/833437432.db2.gz QZVVGGBZWAHJIZ-OAHLLOKOSA-N 2 0 311.426 -0.565 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2ncnn2C)CC1 ZINC001176926691 833437500 /nfs/dbraw/zinc/43/75/00/833437500.db2.gz UCLMQIQLONBORH-UHFFFAOYSA-N 2 0 318.425 -0.244 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466666 830013167 /nfs/dbraw/zinc/01/31/67/830013167.db2.gz ZCEFPGMJRWOWEQ-OCCSQVGLSA-N 2 0 308.426 -0.275 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204421 830157980 /nfs/dbraw/zinc/15/79/80/830157980.db2.gz DXAOUATYAVHKBW-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341380 830173836 /nfs/dbraw/zinc/17/38/36/830173836.db2.gz TYAQHZGRFJCQBJ-CQSZACIVSA-N 2 0 310.442 -0.028 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123344 830268514 /nfs/dbraw/zinc/26/85/14/830268514.db2.gz OECSNKZLOKLBKH-KFWWJZLASA-N 2 0 316.409 -0.405 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173496 830274384 /nfs/dbraw/zinc/27/43/84/830274384.db2.gz GTVZFLIPVVGPFL-CQSZACIVSA-N 2 0 320.437 -0.294 20 30 DBEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130710802 830368838 /nfs/dbraw/zinc/36/88/38/830368838.db2.gz FOJWWDVWZCOIBU-CYBMUJFWSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790235 830529933 /nfs/dbraw/zinc/52/99/33/830529933.db2.gz JHMRZGUFPIWOGI-DZGCQCFKSA-N 2 0 320.437 -0.296 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786529 830530261 /nfs/dbraw/zinc/53/02/61/830530261.db2.gz VXIXHEGCOPWGFG-AWEZNQCLSA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790757 830531079 /nfs/dbraw/zinc/53/10/79/830531079.db2.gz VEERNVICCDIPIB-HNNXBMFYSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985542 830725706 /nfs/dbraw/zinc/72/57/06/830725706.db2.gz IICRORLDOHDHET-GFCCVEGCSA-N 2 0 320.393 -0.202 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133866944 830842743 /nfs/dbraw/zinc/84/27/43/830842743.db2.gz QAMIFAVVLNBKID-KGLIPLIRSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757347 830974693 /nfs/dbraw/zinc/97/46/93/830974693.db2.gz OHHJQVACLBVPLH-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095655 831009351 /nfs/dbraw/zinc/00/93/51/831009351.db2.gz MYEUARJKBYBGLE-UONOGXRCSA-N 2 0 306.410 -0.542 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450482 833717107 /nfs/dbraw/zinc/71/71/07/833717107.db2.gz RRUJGYDPXSLINI-ZNMIVQPWSA-N 2 0 322.453 -0.099 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135507928 831079093 /nfs/dbraw/zinc/07/90/93/831079093.db2.gz BVXBEJMFOHBSNE-UHFFFAOYSA-N 2 0 311.430 -0.204 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939209 831139627 /nfs/dbraw/zinc/13/96/27/831139627.db2.gz WFTBWVMDPXNVBY-STQMWFEESA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001146336305 831276621 /nfs/dbraw/zinc/27/66/21/831276621.db2.gz ATKJSDBJZFVJQJ-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC)CC1 ZINC001146569641 831284832 /nfs/dbraw/zinc/28/48/32/831284832.db2.gz BORHIYDACDQXFR-KGLIPLIRSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146592291 831285557 /nfs/dbraw/zinc/28/55/57/831285557.db2.gz IZRFFDIOIIXJMP-CHWSQXEVSA-N 2 0 311.430 -0.161 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826216 831409767 /nfs/dbraw/zinc/40/97/67/831409767.db2.gz SKVOXQCFRXIKIA-KGLIPLIRSA-N 2 0 308.426 -0.438 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876952 831413453 /nfs/dbraw/zinc/41/34/53/831413453.db2.gz AERPFXVBBGODTI-AWEZNQCLSA-N 2 0 323.441 -0.204 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148057835 831427369 /nfs/dbraw/zinc/42/73/69/831427369.db2.gz MSKUTPAFCSASCM-LBPRGKRZSA-N 2 0 317.393 -0.395 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151113962 831666313 /nfs/dbraw/zinc/66/63/13/831666313.db2.gz DAZISWINXLEKED-UHFFFAOYSA-N 2 0 309.414 -0.450 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001152330320 831740756 /nfs/dbraw/zinc/74/07/56/831740756.db2.gz LSIFQTIIWCLRJF-CQSZACIVSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NC2CC2)CC1 ZINC001152330340 831740925 /nfs/dbraw/zinc/74/09/25/831740925.db2.gz MIHDRQWRMQEURB-CYBMUJFWSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001152334362 831741959 /nfs/dbraw/zinc/74/19/59/831741959.db2.gz BXRRZRCHHQSWOY-UHFFFAOYSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348165 831742566 /nfs/dbraw/zinc/74/25/66/831742566.db2.gz LPPTUAFVFHUMKI-CQSZACIVSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnnn2CC)CC1 ZINC001152334566 831742674 /nfs/dbraw/zinc/74/26/74/831742674.db2.gz HYOLKJGRGZUHQQ-UHFFFAOYSA-N 2 0 318.425 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152464535 831752852 /nfs/dbraw/zinc/75/28/52/831752852.db2.gz UYXIJBJNEWFSRZ-HNNXBMFYSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152458619 831753237 /nfs/dbraw/zinc/75/32/37/831753237.db2.gz RRZIALYABGTWGT-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001157842386 832066308 /nfs/dbraw/zinc/06/63/08/832066308.db2.gz KXKVRTMWFLRZGA-KXNHARMFSA-N 2 0 319.427 -0.721 20 30 DBEDRP C#CC[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCC[NH2+]1 ZINC001158118985 832091700 /nfs/dbraw/zinc/09/17/00/832091700.db2.gz FLBVPZJMRBZIAM-DLBZAZTESA-N 2 0 316.405 -0.930 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202152 832099397 /nfs/dbraw/zinc/09/93/97/832099397.db2.gz DOZKGFSPYCUYKD-UKRRQHHQSA-N 2 0 320.437 -0.438 20 30 DBEDRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403213 832427894 /nfs/dbraw/zinc/42/78/94/832427894.db2.gz UGKOGETWZCWKNJ-ZIAGYGMSSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001269486377 832440939 /nfs/dbraw/zinc/44/09/39/832440939.db2.gz LISJJWULAKMODS-HNNXBMFYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001270259683 832517359 /nfs/dbraw/zinc/51/73/59/832517359.db2.gz RSORIYYSVWDSBJ-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001271081827 832616833 /nfs/dbraw/zinc/61/68/33/832616833.db2.gz GTVUJRCNYALLGY-LBPRGKRZSA-N 2 0 309.414 -0.596 20 30 DBEDRP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001271311250 832655587 /nfs/dbraw/zinc/65/55/87/832655587.db2.gz LAOVMOKZNVMICI-UONOGXRCSA-N 2 0 323.441 -0.302 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001271436217 832667961 /nfs/dbraw/zinc/66/79/61/832667961.db2.gz LHUCYEZVOZLRCH-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271659284 832691204 /nfs/dbraw/zinc/69/12/04/832691204.db2.gz GLNUYJJMJWQXNW-KBPBESRZSA-N 2 0 310.442 -0.076 20 30 DBEDRP 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0 321.425 -0.311 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001183040565 833704461 /nfs/dbraw/zinc/70/44/61/833704461.db2.gz SWWWMEUMOAYLRY-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183592181 833724431 /nfs/dbraw/zinc/72/44/31/833724431.db2.gz NJMGBMUFJUUTCR-MGPQQGTHSA-N 2 0 308.426 -0.345 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183760319 833735764 /nfs/dbraw/zinc/73/57/64/833735764.db2.gz TXVHPWWXLQTQIE-CYBMUJFWSA-N 2 0 308.426 -0.343 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185221593 833784334 /nfs/dbraw/zinc/78/43/34/833784334.db2.gz JVRIZWUBMWSZAB-CYBMUJFWSA-N 2 0 308.426 -0.179 20 30 DBEDRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001185222432 833784412 /nfs/dbraw/zinc/78/44/12/833784412.db2.gz VXDBFJKPGMIVDZ-GFCCVEGCSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187329837 833918455 /nfs/dbraw/zinc/91/84/55/833918455.db2.gz YJLQMMNSHFKVEI-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001277046271 833921960 /nfs/dbraw/zinc/92/19/60/833921960.db2.gz LUONVWSZNZGMNT-AJNGGQMLSA-N 2 0 322.453 -0.051 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001277224636 833934559 /nfs/dbraw/zinc/93/45/59/833934559.db2.gz KKZHAEBEIAXXKP-KGLIPLIRSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277676972 833982792 /nfs/dbraw/zinc/98/27/92/833982792.db2.gz FBACIFKYXALOKI-HUUCEWRRSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001277874766 834001179 /nfs/dbraw/zinc/00/11/79/834001179.db2.gz SARZLFKDBZPHOC-ZFWWWQNUSA-N 2 0 323.441 -0.207 20 30 DBEDRP 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COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200123020 835095790 /nfs/dbraw/zinc/09/57/90/835095790.db2.gz KHZVGKSRHHXUOB-JKSUJKDBSA-N 2 0 323.437 -0.063 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265436216 835140984 /nfs/dbraw/zinc/14/09/84/835140984.db2.gz BRBNRXUIUGPBTG-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265454052 835142947 /nfs/dbraw/zinc/14/29/47/835142947.db2.gz DOKUKVZABBONFZ-STQMWFEESA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265478404 835146312 /nfs/dbraw/zinc/14/63/12/835146312.db2.gz BURGTKDNXSKEQM-KJWHEZOQSA-N 2 0 320.437 -0.299 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265558311 835153403 /nfs/dbraw/zinc/15/34/03/835153403.db2.gz UVUAEMSWDNBFGA-ZQDZILKHSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265571036 835155474 /nfs/dbraw/zinc/15/54/74/835155474.db2.gz ANILTGNFUFHVJR-GASCZTMLSA-N 2 0 320.437 -0.151 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001265681833 835163563 /nfs/dbraw/zinc/16/35/63/835163563.db2.gz GJLYBVNTSBOFFU-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001265691242 835163742 /nfs/dbraw/zinc/16/37/42/835163742.db2.gz HFOUHTCGXAKVSR-OAHLLOKOSA-N 2 0 320.437 -0.212 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001265681832 835164137 /nfs/dbraw/zinc/16/41/37/835164137.db2.gz GJLYBVNTSBOFFU-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)CCCO1 ZINC001201245240 835177785 /nfs/dbraw/zinc/17/77/85/835177785.db2.gz DXINPAOSGRYTLM-HOTGVXAUSA-N 2 0 323.437 -0.064 20 30 DBEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265923433 835199472 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ZINC001484409633 1012610523 /nfs/dbraw/zinc/61/05/23/1012610523.db2.gz GGSYSNRWAJTKOO-HZSPNIEDSA-N 2 0 319.409 -0.889 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001484532836 1012762814 /nfs/dbraw/zinc/76/28/14/1012762814.db2.gz OFIMJSPKWLFDQU-ZIAGYGMSSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484756331 1012850281 /nfs/dbraw/zinc/85/02/81/1012850281.db2.gz YMYOXTQIMHFNNC-UHFFFAOYSA-N 2 0 322.453 -0.142 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001485041595 1012961694 /nfs/dbraw/zinc/96/16/94/1012961694.db2.gz XNZYKQRDAIOXNO-KGLIPLIRSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001485096369 1012993256 /nfs/dbraw/zinc/99/32/56/1012993256.db2.gz YNVJKDXOYYZNNR-JXQTWKCFSA-N 2 0 321.425 -0.405 20 30 DBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497018228 1017199018 /nfs/dbraw/zinc/19/90/18/1017199018.db2.gz 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CC#CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001574973137 1019335247 /nfs/dbraw/zinc/33/52/47/1019335247.db2.gz SSUKXBJKTLIFLS-KBPBESRZSA-N 2 0 324.425 -0.978 20 30 DBEDRP COCC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001506848402 1019968167 /nfs/dbraw/zinc/96/81/67/1019968167.db2.gz AFSVFITUKAIRTF-HOTGVXAUSA-N 2 0 323.437 -0.063 20 30 DBEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001578461010 1020243400 /nfs/dbraw/zinc/24/34/00/1020243400.db2.gz FHSOTCIOMXXLMP-ZDUSSCGKSA-N 2 0 309.414 -0.465 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)OC)CC1 ZINC001507264292 1020262470 /nfs/dbraw/zinc/26/24/70/1020262470.db2.gz HZQFHKBRSVATBN-ZFWWWQNUSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001507323539 1020291773 /nfs/dbraw/zinc/29/17/73/1020291773.db2.gz XTUPYBUUZUKZCP-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001507343292 1020297772 /nfs/dbraw/zinc/29/77/72/1020297772.db2.gz XLRBKASOLPBCNS-KGLIPLIRSA-N 2 0 308.426 -0.345 20 30 DBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001507512754 1020414238 /nfs/dbraw/zinc/41/42/38/1020414238.db2.gz UAZNASMYUSQZMJ-AWEZNQCLSA-N 2 0 311.426 -0.471 20 30 DBEDRP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001580038332 1020633302 /nfs/dbraw/zinc/63/33/02/1020633302.db2.gz KORAKAITFUVOBZ-RQJABVFESA-N 2 0 320.393 -0.092 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)CC[NH+](C)C)C2)CC1 ZINC001582100289 1020876908 /nfs/dbraw/zinc/87/69/08/1020876908.db2.gz RELUYWYRIPVLCU-UHFFFAOYSA-N 2 0 320.437 -0.390 20 30 DBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC#CC[NH+](C)C ZINC001565497553 1024057837 /nfs/dbraw/zinc/05/78/37/1024057837.db2.gz RFFFBPDTHCWSKM-UHFFFAOYSA-N 2 0 311.430 -0.787 20 30 DBEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001565991617 1024103374 /nfs/dbraw/zinc/10/33/74/1024103374.db2.gz NTFBNZLVWCQYPU-UHFFFAOYSA-N 2 0 317.393 -0.137 20 30 DBEDRP C#CCNC(=O)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001566543978 1024242483 /nfs/dbraw/zinc/24/24/83/1024242483.db2.gz ZBSVKLRDZTYSDU-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566766766 1024362195 /nfs/dbraw/zinc/36/21/95/1024362195.db2.gz ODXAPPYTPIOZQY-KBPBESRZSA-N 2 0 320.437 -0.201 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566790515 1024371726 /nfs/dbraw/zinc/37/17/26/1024371726.db2.gz PAURKSZNHKZFLQ-MGPQQGTHSA-N 2 0 319.409 -0.795 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566811269 1024380797 /nfs/dbraw/zinc/38/07/97/1024380797.db2.gz QCEMCPTWPDAQIA-XDQVBPFNSA-N 2 0 308.426 -0.299 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001566951250 1024433273 /nfs/dbraw/zinc/43/32/73/1024433273.db2.gz FJYYPPSEYRKCOG-AWEZNQCLSA-N 2 0 323.441 -0.061 20 30 DBEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001567017178 1024464943 /nfs/dbraw/zinc/46/49/43/1024464943.db2.gz VMWLTPSBHAXOAN-OLZOCXBDSA-N 2 0 309.414 -0.407 20 30 DBEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001567017177 1024466446 /nfs/dbraw/zinc/46/64/46/1024466446.db2.gz VMWLTPSBHAXOAN-CHWSQXEVSA-N 2 0 309.414 -0.407 20 30 DBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567511579 1024754850 /nfs/dbraw/zinc/75/48/50/1024754850.db2.gz ZNJBYMYEOVUDQM-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001567548674 1024783375 /nfs/dbraw/zinc/78/33/75/1024783375.db2.gz RFQSYMHPBLFNTD-OAHLLOKOSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567593551 1024802137 /nfs/dbraw/zinc/80/21/37/1024802137.db2.gz IRPXYCSMLWAFDZ-ZIAGYGMSSA-N 2 0 310.442 -0.242 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567593550 1024802808 /nfs/dbraw/zinc/80/28/08/1024802808.db2.gz IRPXYCSMLWAFDZ-UONOGXRCSA-N 2 0 310.442 -0.242 20 30 DBEDRP COCC#CCN1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001567900216 1024842475 /nfs/dbraw/zinc/84/24/75/1024842475.db2.gz GOOKWGSCYMPRHA-HZPDHXFCSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC(=O)N(C)C)CC1 ZINC001567991109 1024856686 /nfs/dbraw/zinc/85/66/86/1024856686.db2.gz WAWIGQITPWJUBP-HNNXBMFYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001568176772 1024870391 /nfs/dbraw/zinc/87/03/91/1024870391.db2.gz XVAXMMMNYZUXDT-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C)CC1 ZINC001568320598 1024892286 /nfs/dbraw/zinc/89/22/86/1024892286.db2.gz LDEOSDLYAXWAIV-CQSZACIVSA-N 2 0 322.453 -0.144 20 30 DBEDRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001568470945 1024905036 /nfs/dbraw/zinc/90/50/36/1024905036.db2.gz YPYFVDHMRFXSHZ-CYBMUJFWSA-N 2 0 309.414 -0.548 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001568470103 1024905559 /nfs/dbraw/zinc/90/55/59/1024905559.db2.gz HMFLVOVGJGQZAA-KBPBESRZSA-N 2 0 310.442 -0.029 20 30 DBEDRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001568470946 1024906244 /nfs/dbraw/zinc/90/62/44/1024906244.db2.gz YPYFVDHMRFXSHZ-ZDUSSCGKSA-N 2 0 309.414 -0.548 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001568992049 1025109128 /nfs/dbraw/zinc/10/91/28/1025109128.db2.gz QZPUQSPIVZWTBK-CYBMUJFWSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569058788 1025125551 /nfs/dbraw/zinc/12/55/51/1025125551.db2.gz UNLBXEIQSBMURI-MELADBBJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001569075876 1025133171 /nfs/dbraw/zinc/13/31/71/1025133171.db2.gz IAWOSCRLFMZMDP-AVGNSLFASA-N 2 0 309.414 -0.549 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001569314723 1025199311 /nfs/dbraw/zinc/19/93/11/1025199311.db2.gz LNESIDFCUFXPLI-KGLIPLIRSA-N 2 0 321.425 -0.405 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001569565339 1025278920 /nfs/dbraw/zinc/27/89/20/1025278920.db2.gz ZFDPPSNCJZZMFW-CQSZACIVSA-N 2 0 308.426 -0.035 20 30 DBEDRP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001569673882 1025306180 /nfs/dbraw/zinc/30/61/80/1025306180.db2.gz ZIXAMRJHXDJQQH-CZUORRHYSA-N 2 0 323.441 -0.205 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001569695580 1025307695 /nfs/dbraw/zinc/30/76/95/1025307695.db2.gz QBXLYNKMZGWLHY-INIZCTEOSA-N 2 0 323.441 -0.205 20 30 DBEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001569727663 1025310502 /nfs/dbraw/zinc/31/05/02/1025310502.db2.gz GFJISOJDBPVNLJ-HNNXBMFYSA-N 2 0 323.437 -0.015 20 30 DBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001569764900 1025346810 /nfs/dbraw/zinc/34/68/10/1025346810.db2.gz FXPJPPCCNHDMIO-GOEBONIOSA-N 2 0 309.410 -0.859 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001569828248 1025372880 /nfs/dbraw/zinc/37/28/80/1025372880.db2.gz IDXNMFMUTJZUPZ-ZIAGYGMSSA-N 2 0 317.393 -0.541 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001569828247 1025373566 /nfs/dbraw/zinc/37/35/66/1025373566.db2.gz IDXNMFMUTJZUPZ-UONOGXRCSA-N 2 0 317.393 -0.541 20 30 DBEDRP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001570015418 1025455068 /nfs/dbraw/zinc/45/50/68/1025455068.db2.gz KGTPUAGGPWIOBK-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001570163547 1025510511 /nfs/dbraw/zinc/51/05/11/1025510511.db2.gz LQMYFJAQKXYZTP-GJZGRUSLSA-N 2 0 311.426 -0.042 20 30 DBEDRP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001571336217 1025891047 /nfs/dbraw/zinc/89/10/47/1025891047.db2.gz MWGUZWLJNLMYCY-UHFFFAOYSA-N 2 0 322.453 -0.001 20 30 DBEDRP CC[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC#CCOC)[NH+](C)C ZINC001571603366 1026117005 /nfs/dbraw/zinc/11/70/05/1026117005.db2.gz ZEEKEBOYOHOJCV-HUUCEWRRSA-N 2 0 313.442 -0.273 20 30 DBEDRP COCC#CC[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001571678673 1026147999 /nfs/dbraw/zinc/14/79/99/1026147999.db2.gz XDRYIYDDDBJDNJ-UHFFFAOYSA-N 2 0 323.437 -0.203 20 30 DBEDRP CNC(=O)[C@@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000284255289 335010915 /nfs/dbraw/zinc/01/09/15/335010915.db2.gz WMZJQMHBKLJBQG-KBPBESRZSA-N 2 0 310.442 -0.382 20 30 DBEDRP C[C@]1(C(N)=O)CC[NH+](CC#CC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000284908493 335015213 /nfs/dbraw/zinc/01/52/13/335015213.db2.gz VEXCMCUMWNGGNL-HOTGVXAUSA-N 2 0 306.410 -0.616 20 30 DBEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591736935 375744546 /nfs/dbraw/zinc/74/45/46/375744546.db2.gz PBEXYXLQIXUHND-NVXWUHKLSA-N 2 0 323.485 -0.049 20 30 DBEDRP CC[NH+](CC)[C@@H]1CCN(C(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)C1 ZINC000261671395 284774523 /nfs/dbraw/zinc/77/45/23/284774523.db2.gz GZZVTYYEOCOQGZ-CVEARBPZSA-N 3 0 322.501 -0.022 20 30 DBEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000420282588 393592143 /nfs/dbraw/zinc/59/21/43/393592143.db2.gz BRMNYCTUUXHJCC-LSDHHAIUSA-N 2 0 320.437 -0.083 20 30 DBEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000491735196 393827309 /nfs/dbraw/zinc/82/73/09/393827309.db2.gz JSBBQCFHCKYKTF-CQSZACIVSA-N 2 0 324.425 -0.312 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419702745 337491563 /nfs/dbraw/zinc/49/15/63/337491563.db2.gz BXBACASOFCVCGU-ZDUSSCGKSA-N 2 0 308.426 -0.037 20 30 DBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000424164541 337788728 /nfs/dbraw/zinc/78/87/28/337788728.db2.gz ZOXQDRWHEUHWIS-CQSZACIVSA-N 2 0 321.425 -0.226 20 30 DBEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000521227334 340484072 /nfs/dbraw/zinc/48/40/72/340484072.db2.gz DRONAJJASCAIAD-MRXNPFEDSA-N 2 0 311.474 -0.192 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001023128280 664449677 /nfs/dbraw/zinc/44/96/77/664449677.db2.gz XHPDLYRZRPYSDT-BNOWGMLFSA-N 2 0 306.410 -0.558 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](CC)C(N)=O)C2)CC1 ZINC001023128169 664449841 /nfs/dbraw/zinc/44/98/41/664449841.db2.gz SGLZDZXJUCQXEL-ZNMIVQPWSA-N 2 0 320.437 -0.168 20 30 DBEDRP C#CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000910885775 674650942 /nfs/dbraw/zinc/65/09/42/674650942.db2.gz MZZJFQXLVNYPPR-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000910884786 674650998 /nfs/dbraw/zinc/65/09/98/674650998.db2.gz DOUIBFIGOKFQEM-UHFFFAOYSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCN2CC(N)=O)CC1 ZINC001024813318 664919676 /nfs/dbraw/zinc/91/96/76/664919676.db2.gz YYWCWAQYSDAHJA-OAHLLOKOSA-N 2 0 320.437 -0.212 20 30 DBEDRP C=C1[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000911559967 674739090 /nfs/dbraw/zinc/73/90/90/674739090.db2.gz SNMHAXKFUHHVGN-CDGCEXEKSA-N 2 0 310.442 -0.079 20 30 DBEDRP CC[NH+](CC)[C@@H]1CCN(C(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)C1 ZINC000261671401 670529422 /nfs/dbraw/zinc/52/94/22/670529422.db2.gz GZZVTYYEOCOQGZ-HZPDHXFCSA-N 3 0 322.501 -0.022 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261855634 670946389 /nfs/dbraw/zinc/94/63/89/670946389.db2.gz TYEPWBYIICFEBQ-MCIONIFRSA-N 2 0 309.458 -0.035 20 30 DBEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698612 670966966 /nfs/dbraw/zinc/96/69/66/670966966.db2.gz OABKHMLPVIKUKS-HCEZTOJASA-N 2 0 303.406 -0.079 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@@]2(CCOC2)C1 ZINC000261954279 671147989 /nfs/dbraw/zinc/14/79/89/671147989.db2.gz IHWQNPSNTGHXGX-GDBMZVCRSA-N 2 0 309.458 -0.080 20 30 DBEDRP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCS(=O)(=O)C1 ZINC000261975499 671163145 /nfs/dbraw/zinc/16/31/45/671163145.db2.gz FWMDJRQTCXUJEK-VXGBXAGGSA-N 2 0 302.444 -0.190 20 30 DBEDRP C#CCN1CCC[C@H](NC(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC000896491067 671396849 /nfs/dbraw/zinc/39/68/49/671396849.db2.gz YTRSCJJLMUNIGG-INIZCTEOSA-N 2 0 321.469 -0.027 20 30 DBEDRP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NCC1CC[NH+](C)CC1 ZINC000262406777 671448697 /nfs/dbraw/zinc/44/86/97/671448697.db2.gz OVULCQXQTKXHLV-CQSZACIVSA-N 2 0 308.430 -0.040 20 30 DBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303982561 671492342 /nfs/dbraw/zinc/49/23/42/671492342.db2.gz QHWLARASENSGNA-GFCCVEGCSA-N 2 0 317.459 -0.590 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(N)=O)C[C@H]2C)CC1 ZINC000989828454 672609628 /nfs/dbraw/zinc/60/96/28/672609628.db2.gz DCLHQPLMQLKDSR-TZMCWYRMSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NCC1CN([C@H]2CCCNC2=O)C1 ZINC001031740473 677542547 /nfs/dbraw/zinc/54/25/47/677542547.db2.gz CTWVFCPVLCMPRU-GJZGRUSLSA-N 2 0 318.421 -0.589 20 30 DBEDRP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999963489 678779815 /nfs/dbraw/zinc/77/98/15/678779815.db2.gz QZKMDHVBKMOOBT-GJZGRUSLSA-N 2 0 316.409 -0.132 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)CC1 ZINC001032800548 678886918 /nfs/dbraw/zinc/88/69/18/678886918.db2.gz MQIWUHCADHQFPA-HOTGVXAUSA-N 2 0 305.422 -0.001 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316842623 806004754 /nfs/dbraw/zinc/00/47/54/806004754.db2.gz JUZQPLCYLQPBIG-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317057482 806078349 /nfs/dbraw/zinc/07/83/49/806078349.db2.gz HGDLERWPJBUXTR-KBPBESRZSA-N 2 0 319.409 -0.842 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317081652 806085178 /nfs/dbraw/zinc/08/51/78/806085178.db2.gz DRNMIFCEENASKF-JOCQHMNTSA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317124702 806093834 /nfs/dbraw/zinc/09/38/34/806093834.db2.gz VWQRHMYEZUBQBJ-TUVASFSCSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001317213665 806107294 /nfs/dbraw/zinc/10/72/94/806107294.db2.gz RCAKZEUVUVTLBT-SBJFKYEJSA-N 2 0 320.437 -0.489 20 30 DBEDRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001317683732 806225423 /nfs/dbraw/zinc/22/54/23/806225423.db2.gz UAVINMGOZDSFNI-AWEZNQCLSA-N 2 0 323.441 -0.063 20 30 DBEDRP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001317790158 806232896 /nfs/dbraw/zinc/23/28/96/806232896.db2.gz SMSLSAUXHMKUBE-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243348 806356055 /nfs/dbraw/zinc/35/60/55/806356055.db2.gz CUGFOBHRQQKHOV-QWHCGFSZSA-N 2 0 309.414 -0.690 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319459569 806381582 /nfs/dbraw/zinc/38/15/82/806381582.db2.gz AHYDITZJHSCKAS-OCCSQVGLSA-N 2 0 321.425 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001319642835 806400335 /nfs/dbraw/zinc/40/03/35/806400335.db2.gz KVQCZIJDBWNSBK-LSDHHAIUSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320610001 806509227 /nfs/dbraw/zinc/50/92/27/806509227.db2.gz ZBKKHJMZEFAJJC-KGLIPLIRSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320738487 806522621 /nfs/dbraw/zinc/52/26/21/806522621.db2.gz WZGLMRBVMFULPF-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001321541943 806638436 /nfs/dbraw/zinc/63/84/36/806638436.db2.gz OAVOADDVBPHOCD-OLZOCXBDSA-N 2 0 308.426 -0.297 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876809171 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321.425 -0.309 20 30 DBEDRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280534196 803972521 /nfs/dbraw/zinc/97/25/21/803972521.db2.gz RNWTWSOFKYUIRP-ZDUSSCGKSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001282872587 804324584 /nfs/dbraw/zinc/32/45/84/804324584.db2.gz AQRVNHIINIIHHY-TUVASFSCSA-N 2 0 320.437 -0.630 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001283679881 804551276 /nfs/dbraw/zinc/55/12/76/804551276.db2.gz YBSCEMMSHDREEU-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCCC[NH+](C)C ZINC001284025806 804626395 /nfs/dbraw/zinc/62/63/95/804626395.db2.gz NMOZKJFRHVDIRG-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP O=C(C[NH+]1CCCC1)NCC#CCNC(=O)C[NH+]1CCCC1 ZINC000821823563 805192606 /nfs/dbraw/zinc/19/26/06/805192606.db2.gz MVSSZFKKVBJVRU-UHFFFAOYSA-N 2 0 306.410 -0.586 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[NH2+]C2)CC1 ZINC000884642281 807063303 /nfs/dbraw/zinc/06/33/03/807063303.db2.gz FYDVONSBIYSQQZ-AWEZNQCLSA-N 2 0 308.426 -0.037 20 30 DBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001326312788 807169828 /nfs/dbraw/zinc/16/98/28/807169828.db2.gz GINGFXITACQWKC-STQMWFEESA-N 2 0 309.414 -0.146 20 30 DBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001327606445 807312237 /nfs/dbraw/zinc/31/22/37/807312237.db2.gz CCJHSOHFXOLFKG-NVXWUHKLSA-N 2 0 323.437 -0.469 20 30 DBEDRP C=C1[C@H](C(=O)N(C)CC[NH+](C)C)[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000900926182 807333403 /nfs/dbraw/zinc/33/34/03/807333403.db2.gz DRJXKYYFIZQQSU-OKILXGFUSA-N 2 0 310.442 -0.171 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001327869657 807350088 /nfs/dbraw/zinc/35/00/88/807350088.db2.gz XACNOXOCBLVIDE-KGLIPLIRSA-N 2 0 320.437 -0.343 20 30 DBEDRP N#Cc1ccccc1OC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460711 807670776 /nfs/dbraw/zinc/67/07/76/807670776.db2.gz 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O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342602978 808737053 /nfs/dbraw/zinc/73/70/53/808737053.db2.gz KXEQLIDXBWKTEN-AWEZNQCLSA-N 2 0 319.405 -0.209 20 30 DBEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077581 809761304 /nfs/dbraw/zinc/76/13/04/809761304.db2.gz WQNYHJMDIAMTMN-DZGCQCFKSA-N 2 0 321.425 -0.347 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958723907 810012787 /nfs/dbraw/zinc/01/27/87/810012787.db2.gz KJECISJKJPXNJG-DLBZAZTESA-N 2 0 317.433 -0.236 20 30 DBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962016786 810424424 /nfs/dbraw/zinc/42/44/24/810424424.db2.gz LHJJUPAOJRBTLG-FICVDOATSA-N 2 0 301.394 -0.262 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC000962779001 810579558 /nfs/dbraw/zinc/57/95/58/810579558.db2.gz RHRTVKLDDBMZQX-ARLBYUKCSA-N 2 0 305.422 -0.241 20 30 DBEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 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30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)OC)C[C@@H]2O)CC1 ZINC001084090066 824887533 /nfs/dbraw/zinc/88/75/33/824887533.db2.gz ILVGVVWFQBPHNS-IMJJTQAJSA-N 2 0 323.437 -0.472 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H](O)C1 ZINC001084090330 824888579 /nfs/dbraw/zinc/88/85/79/824888579.db2.gz VBFLSIKDJMLJCV-CVEARBPZSA-N 2 0 303.406 -0.484 20 30 DBEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090636040 825770782 /nfs/dbraw/zinc/77/07/82/825770782.db2.gz BXKHFLZFYRIZJN-GJZGRUSLSA-N 2 0 321.425 -0.204 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001090830021 825862871 /nfs/dbraw/zinc/86/28/71/825862871.db2.gz HZPFPTMFTCNWMZ-HZPDHXFCSA-N 2 0 323.437 -0.735 20 30 DBEDRP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001274014010 833005350 /nfs/dbraw/zinc/00/53/50/833005350.db2.gz CAPYGDVPEMYTIU-HNNXBMFYSA-N 2 0 323.437 -0.157 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789345 833055520 /nfs/dbraw/zinc/05/55/20/833055520.db2.gz MBKWOJOYQZLOJJ-UHFFFAOYSA-N 2 0 307.398 -0.650 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789684 833055541 /nfs/dbraw/zinc/05/55/41/833055541.db2.gz UWMSXDICVZSYEK-UHFFFAOYSA-N 2 0 306.410 -0.540 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274367798 833069417 /nfs/dbraw/zinc/06/94/17/833069417.db2.gz GRLQQUMXPPKDIP-MUHKLVGJSA-N 2 0 320.437 -0.272 20 30 DBEDRP COCC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274543198 833093089 /nfs/dbraw/zinc/09/30/89/833093089.db2.gz GDMCGJNTNMEUHN-OAHLLOKOSA-N 2 0 323.437 -0.327 20 30 DBEDRP C#CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274553786 833096590 /nfs/dbraw/zinc/09/65/90/833096590.db2.gz AOFWZXXKHMUDJS-DOTOQJQBSA-N 2 0 323.437 -0.517 20 30 DBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100055983 826801565 /nfs/dbraw/zinc/80/15/65/826801565.db2.gz MLNFNRDHSRFGGJ-JKSUJKDBSA-N 2 0 323.437 -0.328 20 30 DBEDRP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074160 826827293 /nfs/dbraw/zinc/82/72/93/826827293.db2.gz JTFAFMKEYCUVSX-HUUCEWRRSA-N 2 0 323.437 -0.164 20 30 DBEDRP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274616887 833111018 /nfs/dbraw/zinc/11/10/18/833111018.db2.gz QVZJJQHQLFXLQJ-HZPDHXFCSA-N 2 0 311.426 -0.212 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100442329 826966112 /nfs/dbraw/zinc/96/61/12/826966112.db2.gz BLNRACLELIHDMB-JXQTWKCFSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620928 826991404 /nfs/dbraw/zinc/99/14/04/826991404.db2.gz FDPSHIRMFSWGIZ-WLYUNCDWSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100678564 827001113 /nfs/dbraw/zinc/00/11/13/827001113.db2.gz PBSXUVUYBZZVMW-HSBZDZAISA-N 2 0 321.425 -0.548 20 30 DBEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100769748 827020933 /nfs/dbraw/zinc/02/09/33/827020933.db2.gz ZFEZZJCRLXKKPB-UHFFFAOYSA-N 2 0 309.414 -0.548 20 30 DBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100874495 827040054 /nfs/dbraw/zinc/04/00/54/827040054.db2.gz JRMDBPCNEILPPM-UHFFFAOYSA-N 2 0 319.409 -0.794 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100904935 827043279 /nfs/dbraw/zinc/04/32/79/827043279.db2.gz OHZLAJJJPAIYCU-NFOMZHRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984794 827058267 /nfs/dbraw/zinc/05/82/67/827058267.db2.gz SBVRXTQGRQEZRW-UHFFFAOYSA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815708 827150878 /nfs/dbraw/zinc/15/08/78/827150878.db2.gz PONUAVGUMLVNHW-RBSFLKMASA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001275180458 833156647 /nfs/dbraw/zinc/15/66/47/833156647.db2.gz YBKGPLHBTJPACF-NWDGAFQWSA-N 2 0 305.382 -0.426 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001275284892 833167593 /nfs/dbraw/zinc/16/75/93/833167593.db2.gz VFENFVICEZAHRG-HSBZDZAISA-N 2 0 321.425 -0.548 20 30 DBEDRP CC(C)(C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001163832704 833172173 /nfs/dbraw/zinc/17/21/73/833172173.db2.gz GAYXHMODUPXADZ-UHFFFAOYSA-N 2 0 309.414 -0.404 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538408 833218156 /nfs/dbraw/zinc/21/81/56/833218156.db2.gz GOXHJQWMFLKLAW-OAHLLOKOSA-N 2 0 311.426 -0.159 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)N(C)CC(=O)NCC)CC1 ZINC001276010289 833233878 /nfs/dbraw/zinc/23/38/78/833233878.db2.gz FWMZCJLIPCDGPX-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001165727499 833257921 /nfs/dbraw/zinc/25/79/21/833257921.db2.gz BOOPRAPVCFJKLF-CYBMUJFWSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677778 833277474 /nfs/dbraw/zinc/27/74/74/833277474.db2.gz MWFXIAKJIGLPBM-ZIAGYGMSSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756236 828044427 /nfs/dbraw/zinc/04/44/27/828044427.db2.gz DIIMQOHEUQVCCY-KKUMJFAQSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169798435 833344839 /nfs/dbraw/zinc/34/48/39/833344839.db2.gz PBNFMJDFJWKCMO-ZIAGYGMSSA-N 2 0 323.441 -0.015 20 30 DBEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001118131023 829038800 /nfs/dbraw/zinc/03/88/00/829038800.db2.gz PXHCRUSZJYCZIQ-STQMWFEESA-N 2 0 309.414 -0.289 20 30 DBEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171161526 833367038 /nfs/dbraw/zinc/36/70/38/833367038.db2.gz NUPPQXNMOKWALH-ZIAGYGMSSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585488 833371610 /nfs/dbraw/zinc/37/16/10/833371610.db2.gz WJVIJXZAHKMECR-CQSZACIVSA-N 2 0 310.442 -0.048 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288077 829566034 /nfs/dbraw/zinc/56/60/34/829566034.db2.gz MELPYTRLFRDPLY-INIZCTEOSA-N 2 0 313.405 -0.234 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001276390074 833423845 /nfs/dbraw/zinc/42/38/45/833423845.db2.gz WNYVUXIEKXZBPB-IMJJTQAJSA-N 2 0 323.437 -0.472 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C[C@H](O)COC)C1 ZINC001276390072 833423977 /nfs/dbraw/zinc/42/39/77/833423977.db2.gz WNYVUXIEKXZBPB-BPUTZDHNSA-N 2 0 323.437 -0.472 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176844954 833425307 /nfs/dbraw/zinc/42/53/07/833425307.db2.gz PAYARRVCHHPXCY-OKILXGFUSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](O)COC)CC1 ZINC001176926639 833437752 /nfs/dbraw/zinc/43/77/52/833437752.db2.gz QZVVGGBZWAHJIZ-HNNXBMFYSA-N 2 0 311.426 -0.565 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128528404 830094327 /nfs/dbraw/zinc/09/43/27/830094327.db2.gz MDNNBKUIIFQWKO-GFCCVEGCSA-N 2 0 302.394 -0.326 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128787308 830129960 /nfs/dbraw/zinc/12/99/60/830129960.db2.gz ZFBQHJZVPSESDC-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001129340594 830173389 /nfs/dbraw/zinc/17/33/89/830173389.db2.gz NNNZVEUATGOJMC-CYBMUJFWSA-N 2 0 309.414 -0.690 20 30 DBEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370721 830176940 /nfs/dbraw/zinc/17/69/40/830176940.db2.gz ZDSRYAYQMGRYRX-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129410944 830178881 /nfs/dbraw/zinc/17/88/81/830178881.db2.gz RVVYLGCDWWLJRL-CYBMUJFWSA-N 2 0 309.414 -0.405 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429932 830180399 /nfs/dbraw/zinc/18/03/99/830180399.db2.gz NBMANZSYBKSDQH-AWEZNQCLSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130079629 830260529 /nfs/dbraw/zinc/26/05/29/830260529.db2.gz TTYJRDXUTNTADH-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130192662 830280688 /nfs/dbraw/zinc/28/06/88/830280688.db2.gz QMBJMMOHRMXVSP-STQMWFEESA-N 2 0 307.398 -0.651 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130300153 830292692 /nfs/dbraw/zinc/29/26/92/830292692.db2.gz JLJJHTVYMNJDCK-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867827 830402627 /nfs/dbraw/zinc/40/26/27/830402627.db2.gz PRJUQMHPHIOXQO-UHFFFAOYSA-N 2 0 300.322 -0.707 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131061582 830424811 /nfs/dbraw/zinc/42/48/11/830424811.db2.gz GSKBCBLCJXOMLR-ZIAGYGMSSA-N 2 0 303.410 -0.111 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786288 830530546 /nfs/dbraw/zinc/53/05/46/830530546.db2.gz LWYQVWZIQZYYHK-HNNXBMFYSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790758 830531109 /nfs/dbraw/zinc/53/11/09/830531109.db2.gz VEERNVICCDIPIB-OAHLLOKOSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131834515 830540274 /nfs/dbraw/zinc/54/02/74/830540274.db2.gz AFLVYGSSKWMPNH-UHFFFAOYSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132739569 830688745 /nfs/dbraw/zinc/68/87/45/830688745.db2.gz SFSCLANGWOQEQY-CABCVRRESA-N 2 0 322.453 -0.048 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995571 830727688 /nfs/dbraw/zinc/72/76/88/830727688.db2.gz YVHQEJUPGLJROU-CYBMUJFWSA-N 2 0 308.426 -0.179 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040142 830736100 /nfs/dbraw/zinc/73/61/00/830736100.db2.gz COQSOLGIRUTQOD-UHFFFAOYSA-N 2 0 311.430 -0.204 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001133824037 830832286 /nfs/dbraw/zinc/83/22/86/830832286.db2.gz WJWXKCVNWSKRML-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133866946 830843428 /nfs/dbraw/zinc/84/34/28/830843428.db2.gz QAMIFAVVLNBKID-UONOGXRCSA-N 2 0 323.441 -0.348 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583466 830951814 /nfs/dbraw/zinc/95/18/14/830951814.db2.gz KTQSGQGTCXKPKO-QWHCGFSZSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623077 833683450 /nfs/dbraw/zinc/68/34/50/833683450.db2.gz DOGSHPJFCVCUAC-CABCVRRESA-N 2 0 318.421 -0.732 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240491 833711263 /nfs/dbraw/zinc/71/12/63/833711263.db2.gz HXJOOOUXKVBQPQ-ZIAGYGMSSA-N 2 0 320.437 -0.201 20 30 DBEDRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001183266861 833711296 /nfs/dbraw/zinc/71/12/96/833711296.db2.gz HBLPAYPEJOTCKK-TZMCWYRMSA-N 2 0 307.398 -0.843 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939382 833743001 /nfs/dbraw/zinc/74/30/01/833743001.db2.gz CETRDKSJSFFFMO-CYBMUJFWSA-N 2 0 319.409 -0.555 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NCC#N ZINC001135939207 831138755 /nfs/dbraw/zinc/13/87/55/831138755.db2.gz WFTBWVMDPXNVBY-OLZOCXBDSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939206 831139100 /nfs/dbraw/zinc/13/91/00/831139100.db2.gz WFTBWVMDPXNVBY-CHWSQXEVSA-N 2 0 321.425 -0.405 20 30 DBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001143775984 831243124 /nfs/dbraw/zinc/24/31/24/831243124.db2.gz HNMRHTOQLINVFY-UHFFFAOYSA-N 2 0 308.426 -0.129 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341398 831277260 /nfs/dbraw/zinc/27/72/60/831277260.db2.gz XPESJDWAIUOIJK-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591082 831285270 /nfs/dbraw/zinc/28/52/70/831285270.db2.gz FUWNJKVNUSGSAW-KBPBESRZSA-N 2 0 310.442 -0.051 20 30 DBEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185071782 833779619 /nfs/dbraw/zinc/77/96/19/833779619.db2.gz BQBSVHOFZYKNGI-KBPBESRZSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826217 831410444 /nfs/dbraw/zinc/41/04/44/831410444.db2.gz SKVOXQCFRXIKIA-UONOGXRCSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977129 831420237 /nfs/dbraw/zinc/42/02/37/831420237.db2.gz KEJURMITAWGUHI-ZDUSSCGKSA-N 2 0 306.410 -0.425 20 30 DBEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590083 831631828 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C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155812508 831954586 /nfs/dbraw/zinc/95/45/86/831954586.db2.gz NXBMYIKPWPUTJP-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890218 832008689 /nfs/dbraw/zinc/00/86/89/832008689.db2.gz JTAVZUGXGVNPHT-KGLIPLIRSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202150 832099096 /nfs/dbraw/zinc/09/90/96/832099096.db2.gz DOZKGFSPYCUYKD-DZGCQCFKSA-N 2 0 320.437 -0.438 20 30 DBEDRP N#Cc1nc(Cl)c(-n2cncc2C[C@@H]([NH3+])CO)nc1C#N ZINC001158204958 832099734 /nfs/dbraw/zinc/09/97/34/832099734.db2.gz XYXRURWSLJCIEO-SSDOTTSWSA-N 2 0 303.713 -0.079 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001158396673 832108724 /nfs/dbraw/zinc/10/87/24/832108724.db2.gz DFUCJLWGMBZFKH-QWHCGFSZSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158412086 832110090 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323.441 -0.207 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186817544 833879062 /nfs/dbraw/zinc/87/90/62/833879062.db2.gz WZBQWLJSYDKBBS-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP N#CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001270819302 832583150 /nfs/dbraw/zinc/58/31/50/832583150.db2.gz LZFUFVUEYLWMFZ-UHFFFAOYSA-N 2 0 321.425 -0.259 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232190 833911009 /nfs/dbraw/zinc/91/10/09/833911009.db2.gz WVMGSCDLZYDQHV-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001270994135 832604225 /nfs/dbraw/zinc/60/42/25/832604225.db2.gz BDTVDHOZJDQQHZ-CYBMUJFWSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001271458553 832670709 /nfs/dbraw/zinc/67/07/09/832670709.db2.gz NQWQFZXGKTZADS-CABCVRRESA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001271841053 832706322 /nfs/dbraw/zinc/70/63/22/832706322.db2.gz YUQZCIGAHSPURY-ZNMIVQPWSA-N 2 0 318.421 -0.780 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272865544 832845096 /nfs/dbraw/zinc/84/50/96/832845096.db2.gz MFPAOTRDBJJTFE-QWHCGFSZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC)CC1 ZINC001273202253 832894136 /nfs/dbraw/zinc/89/41/36/832894136.db2.gz DWFNQNFLLZTGCZ-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161064325 832971610 /nfs/dbraw/zinc/97/16/10/832971610.db2.gz PIBVMLWRKZGSQU-WYUUTHIRSA-N 2 0 319.427 -0.579 20 30 DBEDRP C=C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881706 832978675 /nfs/dbraw/zinc/97/86/75/832978675.db2.gz QBPRCHSYYAFUIU-CZUORRHYSA-N 2 0 309.410 -0.064 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178045729 833489193 /nfs/dbraw/zinc/48/91/93/833489193.db2.gz SYJXBIIECUDWLK-AWEZNQCLSA-N 2 0 323.441 -0.013 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356418 833502787 /nfs/dbraw/zinc/50/27/87/833502787.db2.gz MJQUOIZFZOQBBV-MELADBBJSA-N 2 0 308.426 -0.038 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179935299 833564682 /nfs/dbraw/zinc/56/46/82/833564682.db2.gz ALGBVTNHJXBXAB-IHRRRGAJSA-N 2 0 321.425 -0.453 20 30 DBEDRP Cn1ccnc1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184492731 833760986 /nfs/dbraw/zinc/76/09/86/833760986.db2.gz YVGKMMDGBMJYCU-GFCCVEGCSA-N 2 0 318.381 -0.817 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184877113 833774207 /nfs/dbraw/zinc/77/42/07/833774207.db2.gz RMNXLKQBNBEIFM-MGPQQGTHSA-N 2 0 308.426 -0.038 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186496761 833853120 /nfs/dbraw/zinc/85/31/20/833853120.db2.gz PZHDJLOTBQBGHB-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186496762 833853260 /nfs/dbraw/zinc/85/32/60/833853260.db2.gz PZHDJLOTBQBGHB-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186817545 833878087 /nfs/dbraw/zinc/87/80/87/833878087.db2.gz WZBQWLJSYDKBBS-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187092199 833901597 /nfs/dbraw/zinc/90/15/97/833901597.db2.gz QVSUPGCTZOJIPN-QWHCGFSZSA-N 2 0 317.393 -0.709 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187329838 833918809 /nfs/dbraw/zinc/91/88/09/833918809.db2.gz YJLQMMNSHFKVEI-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841950 833952657 /nfs/dbraw/zinc/95/26/57/833952657.db2.gz GTEAMDOZWXFKFJ-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=CC[NH+](CC=C)CCN1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239143498 834390544 /nfs/dbraw/zinc/39/05/44/834390544.db2.gz SISZVOVPZFKHET-UHFFFAOYSA-N 2 0 316.471 -0.434 20 30 DBEDRP C#CCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246020838 834410227 /nfs/dbraw/zinc/41/02/27/834410227.db2.gz PZUMFFFJLWKMJV-CABCVRRESA-N 2 0 311.426 -0.293 20 30 DBEDRP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246045457 834413619 /nfs/dbraw/zinc/41/36/19/834413619.db2.gz KJOFXZJSWBYXIE-GAGVYUBLSA-N 2 0 322.405 -0.672 20 30 DBEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246314096 834428492 /nfs/dbraw/zinc/42/84/92/834428492.db2.gz VGBIMNQPSXQPEG-KBPBESRZSA-N 2 0 310.442 -0.103 20 30 DBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246307681 834428937 /nfs/dbraw/zinc/42/89/37/834428937.db2.gz NHAKGCZYZPZFBP-KBPBESRZSA-N 2 0 310.442 -0.103 20 30 DBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197792604 834905177 /nfs/dbraw/zinc/90/51/77/834905177.db2.gz NSFFJEPUWDEIFJ-RRFJBIMHSA-N 2 0 311.426 -0.308 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC)C[C@H]2O)CC1 ZINC001199029039 834981431 /nfs/dbraw/zinc/98/14/31/834981431.db2.gz DCBVSGJDWDCFHC-HZPDHXFCSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@H]2O)CC1 ZINC001199029597 834982213 /nfs/dbraw/zinc/98/22/13/834982213.db2.gz MHNJGFHYERAPNK-HZPDHXFCSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001264047667 835004393 /nfs/dbraw/zinc/00/43/93/835004393.db2.gz LZSSXXIUZBNQEU-ZNMIVQPWSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264440489 835031999 /nfs/dbraw/zinc/03/19/99/835031999.db2.gz DJDPIAONUBWHPA-KKUMJFAQSA-N 2 0 322.453 -0.051 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200123019 835095717 /nfs/dbraw/zinc/09/57/17/835095717.db2.gz KHZVGKSRHHXUOB-HZPDHXFCSA-N 2 0 323.437 -0.063 20 30 DBEDRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265456077 835142892 /nfs/dbraw/zinc/14/28/92/835142892.db2.gz FRNIFYNGDCRKRI-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265502947 835148175 /nfs/dbraw/zinc/14/81/75/835148175.db2.gz CZRORLINGDVGKJ-MGPQQGTHSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265558310 835153472 /nfs/dbraw/zinc/15/34/72/835153472.db2.gz UVUAEMSWDNBFGA-TUVASFSCSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053476 835166170 /nfs/dbraw/zinc/16/61/70/835166170.db2.gz PZHUVTQQBWRZNU-MRXNPFEDSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)CCCO1 ZINC001201245244 835177337 /nfs/dbraw/zinc/17/73/37/835177337.db2.gz DXINPAOSGRYTLM-JKSUJKDBSA-N 2 0 323.437 -0.064 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265881641 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830688169 /nfs/dbraw/zinc/68/81/69/830688169.db2.gz JMOWRPLCLBZZTA-CQSZACIVSA-N 2 0 308.426 -0.436 20 30 DBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001132738032 830688195 /nfs/dbraw/zinc/68/81/95/830688195.db2.gz UFVJPEJLDASWBW-ZDUSSCGKSA-N 2 0 309.414 -0.546 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001133845465 830838213 /nfs/dbraw/zinc/83/82/13/830838213.db2.gz GNOKGJFKYBFBKT-KGLIPLIRSA-N 2 0 308.426 -0.179 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020730 830876879 /nfs/dbraw/zinc/87/68/79/830876879.db2.gz GIWZCQHUTOCESP-OAHLLOKOSA-N 2 0 311.426 -0.157 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607989 830955204 /nfs/dbraw/zinc/95/52/04/830955204.db2.gz OYJUNFAUAVPDMF-QWHCGFSZSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757355 830974704 /nfs/dbraw/zinc/97/47/04/830974704.db2.gz OHHJQVACLBVPLH-CQSZACIVSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783416 830977852 /nfs/dbraw/zinc/97/78/52/830977852.db2.gz WOHYOMUCKLNBKS-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298943 831047999 /nfs/dbraw/zinc/04/79/99/831047999.db2.gz RUQCMSQOFGGJNK-CHWSQXEVSA-N 2 0 323.441 -0.159 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001135391214 831067348 /nfs/dbraw/zinc/06/73/48/831067348.db2.gz RGWULUQEIPYHBY-OLZOCXBDSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135705862 831110460 /nfs/dbraw/zinc/11/04/60/831110460.db2.gz KHQSQQJYBBHVLZ-ZIAGYGMSSA-N 2 0 310.442 -0.050 20 30 DBEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135742933 831115166 /nfs/dbraw/zinc/11/51/66/831115166.db2.gz BAMBWXRSXYGWHC-QWHCGFSZSA-N 2 0 311.430 -0.159 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185407797 833794596 /nfs/dbraw/zinc/79/45/96/833794596.db2.gz CDKBEFWFOOGPIU-ZIAGYGMSSA-N 2 0 308.426 -0.085 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591083 831285751 /nfs/dbraw/zinc/28/57/51/831285751.db2.gz FUWNJKVNUSGSAW-KGLIPLIRSA-N 2 0 310.442 -0.051 20 30 DBEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147824508 831410139 /nfs/dbraw/zinc/41/01/39/831410139.db2.gz KPDPFTQSDFFMNE-OLZOCXBDSA-N 2 0 309.414 -0.548 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147885297 831414758 /nfs/dbraw/zinc/41/47/58/831414758.db2.gz LNNNDEWVRRCTRW-KGLIPLIRSA-N 2 0 308.426 -0.179 20 30 DBEDRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148051268 831427227 /nfs/dbraw/zinc/42/72/27/831427227.db2.gz FNCVEXJIUPKSAO-UHFFFAOYSA-N 2 0 304.354 -0.893 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215648 831438223 /nfs/dbraw/zinc/43/82/23/831438223.db2.gz DYZGNUSSHKNQAD-AWEZNQCLSA-N 2 0 320.437 -0.390 20 30 DBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101921 831665018 /nfs/dbraw/zinc/66/50/18/831665018.db2.gz ZPNSPTVUVHZXAM-UHFFFAOYSA-N 2 0 308.426 -0.011 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237845 831736458 /nfs/dbraw/zinc/73/64/58/831736458.db2.gz YDNLTSMBXTUIQW-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC001152330342 831741431 /nfs/dbraw/zinc/74/14/31/831741431.db2.gz MIHDRQWRMQEURB-ZDUSSCGKSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001152330810 831742042 /nfs/dbraw/zinc/74/20/42/831742042.db2.gz VUCZLTHIBJYPAO-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NCCC)CC1 ZINC001152330481 831742074 /nfs/dbraw/zinc/74/20/74/831742074.db2.gz OZZGSUDIXXYDKC-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCN2CCNC2=O)CC1 ZINC001152330936 831742273 /nfs/dbraw/zinc/74/22/73/831742273.db2.gz XWZJILPFOPJAIG-UHFFFAOYSA-N 2 0 321.425 -0.937 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnn(C)c2)CC1 ZINC001152335066 831742332 /nfs/dbraw/zinc/74/23/32/831742332.db2.gz YOGYMUSWURMHSN-UHFFFAOYSA-N 2 0 303.410 -0.029 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439139 831750336 /nfs/dbraw/zinc/75/03/36/831750336.db2.gz AGRPADWXXQOUNR-UHFFFAOYSA-N 2 0 313.402 -0.956 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791267 831952603 /nfs/dbraw/zinc/95/26/03/831952603.db2.gz UXNYFABCTFAMOS-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP C=C1C[NH2+][C@](C)(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158121885 832093030 /nfs/dbraw/zinc/09/30/30/832093030.db2.gz XYYGNCYQXKIZTD-HOCLYGCPSA-N 2 0 304.394 -0.767 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196514 832098596 /nfs/dbraw/zinc/09/85/96/832098596.db2.gz NDHHIBAFAADLBN-CQSZACIVSA-N 2 0 308.426 -0.274 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487036 832117176 /nfs/dbraw/zinc/11/71/76/832117176.db2.gz VISQRRUPBHHTPO-CABCVRRESA-N 2 0 309.410 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659094 833805003 /nfs/dbraw/zinc/80/50/03/833805003.db2.gz DDPNSAWSJJHOIR-ZIAGYGMSSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270697392 832567055 /nfs/dbraw/zinc/56/70/55/832567055.db2.gz HHJYZHCWPOVAGW-WMLDXEAASA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CCO)C2)CC1 ZINC001276819457 833901259 /nfs/dbraw/zinc/90/12/59/833901259.db2.gz FPSZDFHQJCVAFB-GDBMZVCRSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CCO)C2)CC1 ZINC001276819463 833901666 /nfs/dbraw/zinc/90/16/66/833901666.db2.gz FPSZDFHQJCVAFB-ZBFHGGJFSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271145296 832628932 /nfs/dbraw/zinc/62/89/32/832628932.db2.gz LOXGRPVGVXTQOD-WBVHZDCISA-N 2 0 305.422 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCOC)C2)CC1 ZINC001271229029 832643049 /nfs/dbraw/zinc/64/30/49/832643049.db2.gz QWPUPJHVZSUFKN-QGZVFWFLSA-N 2 0 323.437 -0.469 20 30 DBEDRP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271311248 832655436 /nfs/dbraw/zinc/65/54/36/832655436.db2.gz LAOVMOKZNVMICI-KGLIPLIRSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](O)COC ZINC001272033663 832732621 /nfs/dbraw/zinc/73/26/21/832732621.db2.gz SPODOKPSPNPNRF-CABCVRRESA-N 2 0 311.426 -0.519 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272413450 832783780 /nfs/dbraw/zinc/78/37/80/832783780.db2.gz DASHRRJIHFQBLU-HUUCEWRRSA-N 2 0 311.426 -0.424 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001272523732 832793038 /nfs/dbraw/zinc/79/30/38/832793038.db2.gz KXQANHMKPYJPBY-HUUCEWRRSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122959 832882731 /nfs/dbraw/zinc/88/27/31/832882731.db2.gz KMUSCJQGQFLTFQ-KBPBESRZSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160268176 832889782 /nfs/dbraw/zinc/88/97/82/832889782.db2.gz VHQWKRWTFIPJEO-ZDUSSCGKSA-N 2 0 309.414 -0.404 20 30 DBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001273268411 832902793 /nfs/dbraw/zinc/90/27/93/832902793.db2.gz PUXORCQKMHVQIG-HNNXBMFYSA-N 2 0 323.437 -0.063 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652353 832931512 /nfs/dbraw/zinc/93/15/12/832931512.db2.gz BMCVWJGLRQSAAG-RRFJBIMHSA-N 2 0 302.378 -0.261 20 30 DBEDRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001160698624 832935642 /nfs/dbraw/zinc/93/56/42/832935642.db2.gz NTLWZEHRRCBKCX-UTUOFQBUSA-N 2 0 319.427 -0.849 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160867953 832955167 /nfs/dbraw/zinc/95/51/67/832955167.db2.gz JCNIBEPRDAZFPW-KBPBESRZSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485802 833548419 /nfs/dbraw/zinc/54/84/19/833548419.db2.gz ABQDWYHAQNBUFV-IHRRRGAJSA-N 2 0 308.426 -0.345 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179856823 833561351 /nfs/dbraw/zinc/56/13/51/833561351.db2.gz LJCPQDKSADYJNB-STQMWFEESA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179856496 833561595 /nfs/dbraw/zinc/56/15/95/833561595.db2.gz CGTXUHVXOGAGCQ-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933842 833563758 /nfs/dbraw/zinc/56/37/58/833563758.db2.gz LZUKOYVNNHWLBL-GJZGRUSLSA-N 2 0 311.426 -0.207 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179982601 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CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483473962 1011884152 /nfs/dbraw/zinc/88/41/52/1011884152.db2.gz DWKWRMKWKASTRR-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484886864 1012888561 /nfs/dbraw/zinc/88/85/61/1012888561.db2.gz CBGFECBFEINCSE-OLZOCXBDSA-N 2 0 321.425 -0.453 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496991721 1017174529 /nfs/dbraw/zinc/17/45/29/1017174529.db2.gz MOQJRJQPYQKHFH-HUUCEWRRSA-N 2 0 311.426 -0.423 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496991723 1017174680 /nfs/dbraw/zinc/17/46/80/1017174680.db2.gz MOQJRJQPYQKHFH-LSDHHAIUSA-N 2 0 311.426 -0.423 20 30 DBEDRP Cc1nccn1CC(=O)N[C@H](C)CN(C)CC(=O)NCC#N ZINC001498454921 1017807213 /nfs/dbraw/zinc/80/72/13/1017807213.db2.gz GWOYAIYGEPPTBV-LLVKDONJSA-N 2 0 306.370 -0.732 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863685 1017877127 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-0.491 20 30 DBEDRP CC#CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1 ZINC001574973141 1019333811 /nfs/dbraw/zinc/33/38/11/1019333811.db2.gz SSUKXBJKTLIFLS-ZIAGYGMSSA-N 2 0 324.425 -0.978 20 30 DBEDRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001506886992 1019982807 /nfs/dbraw/zinc/98/28/07/1019982807.db2.gz YFCIUPSQQBXXEO-JOCQHMNTSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001506936069 1020004922 /nfs/dbraw/zinc/00/49/22/1020004922.db2.gz HROSTYUJVRHNJN-CYBMUJFWSA-N 2 0 323.441 -0.158 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001507083604 1020082846 /nfs/dbraw/zinc/08/28/46/1020082846.db2.gz UFKQXHWLGDGOTN-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+][C@H](C)COC)CC1 ZINC001507265985 1020262823 /nfs/dbraw/zinc/26/28/23/1020262823.db2.gz WUNAKRZSAIRTHC-UKRRQHHQSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001507331555 1020294574 /nfs/dbraw/zinc/29/45/74/1020294574.db2.gz LZBYGXRHSYJQAN-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001507343294 1020296820 /nfs/dbraw/zinc/29/68/20/1020296820.db2.gz XLRBKASOLPBCNS-UONOGXRCSA-N 2 0 308.426 -0.345 20 30 DBEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001579397280 1020440302 /nfs/dbraw/zinc/44/03/02/1020440302.db2.gz PJLHPBUJDITNFW-BFHYXJOUSA-N 2 0 310.446 -0.331 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566794525 1024373225 /nfs/dbraw/zinc/37/32/25/1024373225.db2.gz GUWJCGURNPIEND-JOCQHMNTSA-N 2 0 319.409 -0.509 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566811264 1024380345 /nfs/dbraw/zinc/38/03/45/1024380345.db2.gz QCEMCPTWPDAQIA-AAVRWANBSA-N 2 0 308.426 -0.299 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001566982025 1024453474 /nfs/dbraw/zinc/45/34/74/1024453474.db2.gz RBSJZSAKDUXSAK-YMAMQOFZSA-N 2 0 320.437 -0.153 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567025074 1024476477 /nfs/dbraw/zinc/47/64/77/1024476477.db2.gz UDVHISNRAHKXSK-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001567140607 1024542236 /nfs/dbraw/zinc/54/22/36/1024542236.db2.gz OJXHQGXAGUFORY-HUUCEWRRSA-N 2 0 320.437 -0.484 20 30 DBEDRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001567231985 1024581984 /nfs/dbraw/zinc/58/19/84/1024581984.db2.gz QWTCQUPTCWYRFO-ZDUSSCGKSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567415936 1024676855 /nfs/dbraw/zinc/67/68/55/1024676855.db2.gz RATAENSFACXQGW-KGLIPLIRSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001567580363 1024801505 /nfs/dbraw/zinc/80/15/05/1024801505.db2.gz WVNRUXMTLKQXEF-HNNXBMFYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567708507 1024812818 /nfs/dbraw/zinc/81/28/18/1024812818.db2.gz UATIGMDHSJPAOY-CYBMUJFWSA-N 2 0 309.414 -0.594 20 30 DBEDRP COCC#CCN1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001567900217 1024842015 /nfs/dbraw/zinc/84/20/15/1024842015.db2.gz GOOKWGSCYMPRHA-JKSUJKDBSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(=O)N(C)C)CC1 ZINC001567991110 1024856530 /nfs/dbraw/zinc/85/65/30/1024856530.db2.gz WAWIGQITPWJUBP-OAHLLOKOSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568172563 1024869671 /nfs/dbraw/zinc/86/96/71/1024869671.db2.gz XHPKEAGBXXPCNX-BFHYXJOUSA-N 2 0 308.426 -0.582 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001568208942 1024875670 /nfs/dbraw/zinc/87/56/70/1024875670.db2.gz QDONWERQUKHRIF-DZGCQCFKSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001568651926 1024978340 /nfs/dbraw/zinc/97/83/40/1024978340.db2.gz AMKDVFFVJCQHND-CYBMUJFWSA-N 2 0 321.425 -0.261 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001568651927 1024979399 /nfs/dbraw/zinc/97/93/99/1024979399.db2.gz AMKDVFFVJCQHND-ZDUSSCGKSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001569307503 1025196179 /nfs/dbraw/zinc/19/61/79/1025196179.db2.gz JICIGRBSGYGRLZ-CABCVRRESA-N 2 0 320.437 -0.296 20 30 DBEDRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001569541057 1025274240 /nfs/dbraw/zinc/27/42/40/1025274240.db2.gz CWZKTDGPJUHZIY-HZSPNIEDSA-N 2 0 321.425 -0.453 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001569565338 1025280593 /nfs/dbraw/zinc/28/05/93/1025280593.db2.gz ZFDPPSNCJZZMFW-AWEZNQCLSA-N 2 0 308.426 -0.035 20 30 DBEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001569760693 1025341463 /nfs/dbraw/zinc/34/14/63/1025341463.db2.gz YYCIIBJJUGKMHW-MRXNPFEDSA-N 2 0 321.425 -0.203 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569828744 1025372201 /nfs/dbraw/zinc/37/22/01/1025372201.db2.gz NVWCPUHXOZRQJW-CABCVRRESA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CCCO)C2)CC1 ZINC001570163827 1025507291 /nfs/dbraw/zinc/50/72/91/1025507291.db2.gz PZVULGAVJYTOIB-MRXNPFEDSA-N 2 0 323.437 -0.469 20 30 DBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001570294266 1025565169 /nfs/dbraw/zinc/56/51/69/1025565169.db2.gz RDTRFGAWAXENGM-QGZVFWFLSA-N 2 0 323.437 -0.325 20 30 DBEDRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001570343776 1025578696 /nfs/dbraw/zinc/57/86/96/1025578696.db2.gz DORWYGKCPBCSBN-GXTWGEPZSA-N 2 0 321.425 -0.453 20 30 DBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001570631627 1025689099 /nfs/dbraw/zinc/68/90/99/1025689099.db2.gz XNNKBSASSSFFAK-NEPJUHHUSA-N 2 0 309.414 -0.549 20 30 DBEDRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001570636196 1025691811 /nfs/dbraw/zinc/69/18/11/1025691811.db2.gz FZZQSAUCEHZKAJ-QWHCGFSZSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001571410426 1025944463 /nfs/dbraw/zinc/94/44/63/1025944463.db2.gz JQEMSECTFVPYBF-OAHLLOKOSA-N 2 0 322.453 -0.096 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001571467727 1026033395 /nfs/dbraw/zinc/03/33/95/1026033395.db2.gz PXWWTOAXYZBQIT-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001571608532 1026124414 /nfs/dbraw/zinc/12/44/14/1026124414.db2.gz JUHVQTIWWWJVNE-LSDHHAIUSA-N 2 0 311.426 -0.661 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)C1 ZINC001571637922 1026132171 /nfs/dbraw/zinc/13/21/71/1026132171.db2.gz GRIJMDHAQRJGEK-STQMWFEESA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571665688 1026137496 /nfs/dbraw/zinc/13/74/96/1026137496.db2.gz GZQWVADAMGATKG-IYXRBSQSSA-N 2 0 306.410 -0.734 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571665687 1026138079 /nfs/dbraw/zinc/13/80/79/1026138079.db2.gz GZQWVADAMGATKG-HSBZDZAISA-N 2 0 306.410 -0.734 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@](C)(O)c1ccco1 ZINC000261665304 377258654 /nfs/dbraw/zinc/25/86/54/377258654.db2.gz GLWIVUDEXYNBGR-CJNGLKHVSA-N 2 0 321.425 -0.348 20 30 DBEDRP C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)CN1CC[NH+](C)CC1 ZINC000520798439 380077918 /nfs/dbraw/zinc/07/79/18/380077918.db2.gz VXKBYIFZYKUGAL-HOTGVXAUSA-N 2 0 311.474 -0.334 20 30 DBEDRP CC(C)[C@@](C)([NH2+]CC#CC[NH2+][C@@](C)(C(N)=O)C(C)C)C(N)=O ZINC000459476705 380778617 /nfs/dbraw/zinc/77/86/17/380778617.db2.gz HCBKSELFRCURCP-HZPDHXFCSA-N 2 0 310.442 -0.031 20 30 DBEDRP C=C(CNC(=O)C1([NH+](C)C)CC1)CNC(=O)C1([NH+](C)C)CC1 ZINC000620747171 382454435 /nfs/dbraw/zinc/45/44/35/382454435.db2.gz NFMBDCBIPUSPSW-UHFFFAOYSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627386139 382621173 /nfs/dbraw/zinc/62/11/73/382621173.db2.gz GXLKTXLBGWZTHX-AWEZNQCLSA-N 2 0 324.425 -0.752 20 30 DBEDRP C#CCNC(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000491122000 392652711 /nfs/dbraw/zinc/65/27/11/392652711.db2.gz SWLJPGCNWUIHGS-UHFFFAOYSA-N 2 0 308.426 -0.484 20 30 DBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(CC(C)C)CC1 ZINC000262805379 276843767 /nfs/dbraw/zinc/84/37/67/276843767.db2.gz SMTFEWZLBNXVEH-INIZCTEOSA-N 2 0 322.501 -0.165 20 30 DBEDRP C[NH+](C)CCN1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O ZINC000530577025 331608917 /nfs/dbraw/zinc/60/89/17/331608917.db2.gz PUAJWLUPEDUSCD-CYBMUJFWSA-N 2 0 321.425 -0.499 20 30 DBEDRP C[NH+]1CCN(c2ccc(CNC(=[NH2+])N3CCOCC3)cn2)CC1 ZINC000104159408 332244420 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ZINC001317587249 806195855 /nfs/dbraw/zinc/19/58/55/806195855.db2.gz HFXIMOGMMHEGEI-AWEZNQCLSA-N 2 0 308.426 -0.322 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319189132 806351484 /nfs/dbraw/zinc/35/14/84/806351484.db2.gz MBKZZROOHSNJFY-ZFWWWQNUSA-N 2 0 322.453 -0.028 20 30 DBEDRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CC(=O)NCC#N ZINC001319249454 806357539 /nfs/dbraw/zinc/35/75/39/806357539.db2.gz GCNBUXAIZKPWMF-CYBMUJFWSA-N 2 0 323.441 -0.300 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001319942466 806421282 /nfs/dbraw/zinc/42/12/82/806421282.db2.gz BBYYCYSBKHTMMW-CABCVRRESA-N 2 0 322.453 -0.192 20 30 DBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001320239039 806459953 /nfs/dbraw/zinc/45/99/53/806459953.db2.gz UHOLXYPOSVQFBN-AWEZNQCLSA-N 2 0 313.442 -0.012 20 30 DBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001320239040 806460273 /nfs/dbraw/zinc/46/02/73/806460273.db2.gz UHOLXYPOSVQFBN-CQSZACIVSA-N 2 0 313.442 -0.012 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320263546 806465150 /nfs/dbraw/zinc/46/51/50/806465150.db2.gz NOVGTKQRQOAZGC-SOUVJXGZSA-N 2 0 311.426 -0.567 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000867979846 806532771 /nfs/dbraw/zinc/53/27/71/806532771.db2.gz OTEHHMDJJHYSSJ-ZFWWWQNUSA-N 2 0 300.362 -0.150 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000867979843 806533475 /nfs/dbraw/zinc/53/34/75/806533475.db2.gz OTEHHMDJJHYSSJ-DZGCQCFKSA-N 2 0 300.362 -0.150 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001320890874 806539403 /nfs/dbraw/zinc/53/94/03/806539403.db2.gz BFXPJQJHBRFYCC-UHFFFAOYSA-N 2 0 306.410 -0.730 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001321277885 806598486 /nfs/dbraw/zinc/59/84/86/806598486.db2.gz COOVUOKDBZJUJV-SNAWJCMRSA-N 2 0 320.437 -0.270 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001321876191 806683283 /nfs/dbraw/zinc/68/32/83/806683283.db2.gz QTAWSUYICVYHMP-STQMWFEESA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001321876190 806683687 /nfs/dbraw/zinc/68/36/87/806683687.db2.gz QTAWSUYICVYHMP-QWHCGFSZSA-N 2 0 308.426 -0.297 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876809172 806807551 /nfs/dbraw/zinc/80/75/51/806807551.db2.gz WVMXGCDKJGOVRP-ZFWWWQNUSA-N 2 0 300.362 -0.069 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323109897 806825222 /nfs/dbraw/zinc/82/52/22/806825222.db2.gz USWFDVDWSJUPNG-ZIAGYGMSSA-N 2 0 308.426 -0.275 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001324131079 806946364 /nfs/dbraw/zinc/94/63/64/806946364.db2.gz UAXNWICGGGMIPI-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C 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C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100186040 826905621 /nfs/dbraw/zinc/90/56/21/826905621.db2.gz XJBLYCQTCKVRBH-WXRRBKDZSA-N 2 0 307.398 -0.795 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872422 833122006 /nfs/dbraw/zinc/12/20/06/833122006.db2.gz RDJGKKKEWLPMSZ-ISXOHVOVSA-N 2 0 321.421 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407651 826959764 /nfs/dbraw/zinc/95/97/64/826959764.db2.gz DGTYSDVQPRDNDI-PXCJXSSVSA-N 2 0 320.437 -0.440 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100447200 826966924 /nfs/dbraw/zinc/96/69/24/826966924.db2.gz SEBVZFCLAWXZKR-RUXDESIVSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001100617487 826991262 /nfs/dbraw/zinc/99/12/62/826991262.db2.gz XFSSSPGJZHFJEJ-UHFFFAOYSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638492 826995727 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0 323.441 -0.350 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275334999 833171479 /nfs/dbraw/zinc/17/14/79/833171479.db2.gz WIXNORRZSVQSML-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397023 827284576 /nfs/dbraw/zinc/28/45/76/827284576.db2.gz VHGJOWSELAFTRR-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275630541 833196278 /nfs/dbraw/zinc/19/62/78/833196278.db2.gz VEAYPBWWNCKDJN-IHRRRGAJSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574409 833221294 /nfs/dbraw/zinc/22/12/94/833221294.db2.gz KNGOJOYBGRMUEN-KBPBESRZSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001276012780 833234997 /nfs/dbraw/zinc/23/49/97/833234997.db2.gz SWRXTTQTEPDTJQ-HIFRSBDPSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010081 833263277 /nfs/dbraw/zinc/26/32/77/833263277.db2.gz GKOFUCZMTBNOCR-ZIAGYGMSSA-N 2 0 310.442 -0.194 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166736546 833279894 /nfs/dbraw/zinc/27/98/94/833279894.db2.gz NMHDIFNTTNEFOL-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756237 828044936 /nfs/dbraw/zinc/04/49/36/828044936.db2.gz DIIMQOHEUQVCCY-ZNMIVQPWSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030387 833315862 /nfs/dbraw/zinc/31/58/62/833315862.db2.gz NVHZCMTVHCTIBJ-LSDHHAIUSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC1 ZINC001168307419 833321526 /nfs/dbraw/zinc/32/15/26/833321526.db2.gz HJBWWGPWPBTTSR-UHFFFAOYSA-N 2 0 320.437 -0.307 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168320646 833322704 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C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NCCC)CC1 ZINC001176926224 833436897 /nfs/dbraw/zinc/43/68/97/833436897.db2.gz JUBVPAPLZPXBFW-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256645 829995916 /nfs/dbraw/zinc/99/59/16/829995916.db2.gz QGQOSMTUIISXFX-STQMWFEESA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328392 830171936 /nfs/dbraw/zinc/17/19/36/830171936.db2.gz PDIGAKAPTYFOJY-GJZGRUSLSA-N 2 0 322.453 -0.192 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129358497 830175607 /nfs/dbraw/zinc/17/56/07/830175607.db2.gz SLEGCUOGPBNRDA-ZDUSSCGKSA-N 2 0 308.426 -0.037 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686097 830201790 /nfs/dbraw/zinc/20/17/90/830201790.db2.gz WSAQCTSYUDFEEU-KFWWJZLASA-N 2 0 316.409 -0.263 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983337 830239587 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DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090198 830740761 /nfs/dbraw/zinc/74/07/61/830740761.db2.gz DHVOFQJEJAGQMB-LSDHHAIUSA-N 2 0 322.453 -0.238 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831262 830833006 /nfs/dbraw/zinc/83/30/06/830833006.db2.gz MPPWICUHGMDLPX-AWEZNQCLSA-N 2 0 323.441 -0.061 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001133845464 830837093 /nfs/dbraw/zinc/83/70/93/830837093.db2.gz GNOKGJFKYBFBKT-KBPBESRZSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134763462 830975897 /nfs/dbraw/zinc/97/58/97/830975897.db2.gz ZPKGCARNCFCFDQ-AWEZNQCLSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299090 831047729 /nfs/dbraw/zinc/04/77/29/831047729.db2.gz UEQRBHIWWOSDQA-ZIAGYGMSSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135391215 831067487 /nfs/dbraw/zinc/06/74/87/831067487.db2.gz RGWULUQEIPYHBY-QWHCGFSZSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135437440 831071116 /nfs/dbraw/zinc/07/11/16/831071116.db2.gz TWBXEVLPFFRBMF-UHFFFAOYSA-N 2 0 310.442 -0.046 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183648031 833725848 /nfs/dbraw/zinc/72/58/48/833725848.db2.gz MSVHUDUHDMDDSZ-CHWSQXEVSA-N 2 0 307.398 -0.699 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135705860 831110244 /nfs/dbraw/zinc/11/02/44/831110244.db2.gz KHQSQQJYBBHVLZ-KGLIPLIRSA-N 2 0 310.442 -0.050 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135960120 831141816 /nfs/dbraw/zinc/14/18/16/831141816.db2.gz ZJJMBOXJZCNJKS-UHFFFAOYSA-N 2 0 312.414 -0.895 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976945 831143731 /nfs/dbraw/zinc/14/37/31/831143731.db2.gz OLPLJALQKQHHLP-ZIAGYGMSSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341399 831277195 /nfs/dbraw/zinc/27/71/95/831277195.db2.gz XPESJDWAIUOIJK-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185071784 833779703 /nfs/dbraw/zinc/77/97/03/833779703.db2.gz BQBSVHOFZYKNGI-KGLIPLIRSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185071959 833779854 /nfs/dbraw/zinc/77/98/54/833779854.db2.gz CDDGWFZQOYTSKV-LSDHHAIUSA-N 2 0 322.453 -0.238 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401177 833794290 /nfs/dbraw/zinc/79/42/90/833794290.db2.gz LWLNUXYLLTVNFE-CQSZACIVSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001276700117 833450902 /nfs/dbraw/zinc/45/09/02/833450902.db2.gz HPEVFYRRAVNADM-APIJFGDWSA-N 2 0 318.421 -0.876 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O ZINC001147848547 831412036 /nfs/dbraw/zinc/41/20/36/831412036.db2.gz PHEXFJHSFXLLQA-CYBMUJFWSA-N 2 0 312.414 -0.943 20 30 DBEDRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c1 ZINC001152238157 831736722 /nfs/dbraw/zinc/73/67/22/831736722.db2.gz ZFBCCSBICSUOBE-UHFFFAOYSA-N 2 0 317.393 -0.293 20 30 DBEDRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001152473583 831754305 /nfs/dbraw/zinc/75/43/05/831754305.db2.gz WWFGJCZUXWPMOJ-CQSZACIVSA-N 2 0 309.414 -0.548 20 30 DBEDRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCC1 ZINC001152479015 831754341 /nfs/dbraw/zinc/75/43/41/831754341.db2.gz AHCJIQILGZCRDO-OAHLLOKOSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039266 832085015 /nfs/dbraw/zinc/08/50/15/832085015.db2.gz RWSTZUOQJPCCNY-CABCVRRESA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202151 832099229 /nfs/dbraw/zinc/09/92/29/832099229.db2.gz DOZKGFSPYCUYKD-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185676012 833805803 /nfs/dbraw/zinc/80/58/03/833805803.db2.gz HLSDPXRNAQDIJD-CQSZACIVSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001269522420 832445177 /nfs/dbraw/zinc/44/51/77/832445177.db2.gz MYFOTQJXOPDYLW-ZDUSSCGKSA-N 2 0 318.421 -0.542 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001269652431 832458004 /nfs/dbraw/zinc/45/80/04/832458004.db2.gz QFMWPPKABGIOEK-QGZVFWFLSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001270165282 832507500 /nfs/dbraw/zinc/50/75/00/832507500.db2.gz KGFDALPGJWEIAR-AWEZNQCLSA-N 2 0 318.421 -0.588 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001270518763 832542866 /nfs/dbraw/zinc/54/28/66/832542866.db2.gz YPNYAYLDBJZEOA-KBPBESRZSA-N 2 0 308.426 -0.581 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001271436221 832668018 /nfs/dbraw/zinc/66/80/18/832668018.db2.gz LHUCYEZVOZLRCH-UONOGXRCSA-N 2 0 323.441 -0.205 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001272413448 832783891 /nfs/dbraw/zinc/78/38/91/832783891.db2.gz DASHRRJIHFQBLU-CABCVRRESA-N 2 0 311.426 -0.424 20 30 DBEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001159846723 832852012 /nfs/dbraw/zinc/85/20/12/832852012.db2.gz RZUMLBQQUKMWRG-AWEZNQCLSA-N 2 0 323.441 -0.300 20 30 DBEDRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001272994349 832861189 /nfs/dbraw/zinc/86/11/89/832861189.db2.gz YRUGTSHRIMUKFP-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP CCN1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193970 832891663 /nfs/dbraw/zinc/89/16/63/832891663.db2.gz ZYPOBWKIXLPKAC-HUUCEWRRSA-N 2 0 311.426 -0.159 20 30 DBEDRP C=C[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273882505 832978931 /nfs/dbraw/zinc/97/89/31/832978931.db2.gz ZQOHYOLUOWOHSI-HOCLYGCPSA-N 2 0 311.426 -0.354 20 30 DBEDRP C=C[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881707 832979184 /nfs/dbraw/zinc/97/91/84/832979184.db2.gz QBPRCHSYYAFUIU-XJKSGUPXSA-N 2 0 309.410 -0.064 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303555 833542760 /nfs/dbraw/zinc/54/27/60/833542760.db2.gz HNULUBKAYCGQEM-CBBWQLFWSA-N 2 0 320.437 -0.203 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485804 833548142 /nfs/dbraw/zinc/54/81/42/833548142.db2.gz ABQDWYHAQNBUFV-RDBSUJKOSA-N 2 0 308.426 -0.345 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179539300 833550066 /nfs/dbraw/zinc/55/00/66/833550066.db2.gz UUMIPMXBHGBRLH-ILXRZTDVSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179763354 833557648 /nfs/dbraw/zinc/55/76/48/833557648.db2.gz IWKIUDXOZFIKRH-STQMWFEESA-N 2 0 309.414 -0.453 20 30 DBEDRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183390166 833715473 /nfs/dbraw/zinc/71/54/73/833715473.db2.gz IRYFHRKMZWLEHU-KGLIPLIRSA-N 2 0 321.425 -0.309 20 30 DBEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001184799549 833771198 /nfs/dbraw/zinc/77/11/98/833771198.db2.gz APKITTOVWXHBDJ-CYBMUJFWSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264803 833787829 /nfs/dbraw/zinc/78/78/29/833787829.db2.gz GZELGWNLAAMXEH-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187092436 833900974 /nfs/dbraw/zinc/90/09/74/833900974.db2.gz SIHFUVAIIKOWRC-GFCCVEGCSA-N 2 0 305.382 -0.545 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127553 833904631 /nfs/dbraw/zinc/90/46/31/833904631.db2.gz XUVXIPNUHNZPMD-ZIAGYGMSSA-N 2 0 320.437 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187298973 833916550 /nfs/dbraw/zinc/91/65/50/833916550.db2.gz UTFAJHSKIGQGIA-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335249 833946251 /nfs/dbraw/zinc/94/62/51/833946251.db2.gz KQNHOGCLKMEPFE-AWEZNQCLSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC)C2)CC1 ZINC001188090843 833965193 /nfs/dbraw/zinc/96/51/93/833965193.db2.gz IQGUCBKDCPGXAP-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001188138849 833970257 /nfs/dbraw/zinc/97/02/57/833970257.db2.gz FGTSKBZADJDYOQ-KGLIPLIRSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158386 833971459 /nfs/dbraw/zinc/97/14/59/833971459.db2.gz MTGIOYMAYKDESQ-ZIAGYGMSSA-N 2 0 308.426 -0.345 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277883560 834000955 /nfs/dbraw/zinc/00/09/55/834000955.db2.gz KJOWIATXTPEZQO-KGLIPLIRSA-N 2 0 321.425 -0.309 20 30 DBEDRP N#C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CCN1 ZINC001246290499 834426732 /nfs/dbraw/zinc/42/67/32/834426732.db2.gz QYZKVIPZSVFAEU-KBPBESRZSA-N 2 0 300.403 -0.771 20 30 DBEDRP CC[NH+](CC)CC(=O)N1CC[C@@H](N(C)CC(=O)NCC#N)C1 ZINC001192958062 834447422 /nfs/dbraw/zinc/44/74/22/834447422.db2.gz DRZJPTBDVBAFHO-CYBMUJFWSA-N 2 0 309.414 -0.499 20 30 DBEDRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@H]1C2 ZINC001246859651 834458913 /nfs/dbraw/zinc/45/89/13/834458913.db2.gz QGXDPUHCHPGNOF-BMNMPBFRSA-N 2 0 318.421 -0.039 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280246 834480171 /nfs/dbraw/zinc/48/01/71/834480171.db2.gz VJBWZXFKRLATNP-CABCVRRESA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280252 834481556 /nfs/dbraw/zinc/48/15/56/834481556.db2.gz VJBWZXFKRLATNP-LSDHHAIUSA-N 2 0 322.453 -0.001 20 30 DBEDRP C[NH+](C)CC#CCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001251708620 834503639 /nfs/dbraw/zinc/50/36/39/834503639.db2.gz USQDQBSQAIULLI-MRXNPFEDSA-N 2 0 321.469 -0.027 20 30 DBEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001251900545 834513191 /nfs/dbraw/zinc/51/31/91/834513191.db2.gz UNMOAQPBWMZCAX-KKUMJFAQSA-N 2 0 311.426 -0.424 20 30 DBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791196 834533681 /nfs/dbraw/zinc/53/36/81/834533681.db2.gz FLQUBNIRKXNFPY-RBSFLKMASA-N 2 0 311.426 -0.310 20 30 DBEDRP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819557 834906925 /nfs/dbraw/zinc/90/69/25/834906925.db2.gz GJAMAMRWMNPOAD-ZIAGYGMSSA-N 2 0 309.410 -0.554 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264402211 835026732 /nfs/dbraw/zinc/02/67/32/835026732.db2.gz UHSGYWXNRISFMP-OKILXGFUSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(=O)NCC#N ZINC001264986883 835061860 /nfs/dbraw/zinc/06/18/60/835061860.db2.gz ZSMZPMMVOIFPAZ-CQSZACIVSA-N 2 0 321.425 -0.594 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265360377 835134207 /nfs/dbraw/zinc/13/42/07/835134207.db2.gz KSPUBNPWZOYKRK-KBPBESRZSA-N 2 0 321.425 -0.405 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265502946 835148171 /nfs/dbraw/zinc/14/81/71/835148171.db2.gz CZRORLINGDVGKJ-IHRRRGAJSA-N 2 0 308.426 -0.133 20 30 DBEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265500790 835148202 /nfs/dbraw/zinc/14/82/02/835148202.db2.gz QPIWXBYROQLUKZ-SHTZXODSSA-N 2 0 323.437 -0.016 20 30 DBEDRP Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265504973 835148759 /nfs/dbraw/zinc/14/87/59/835148759.db2.gz PFZRXMIKRNBUMQ-XYPYZODXSA-N 2 0 304.354 -0.863 20 30 DBEDRP C[N@H+](CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1)C1CCC1 ZINC001201066250 835167018 /nfs/dbraw/zinc/16/70/18/835167018.db2.gz JBPWIQLTZNJCDM-UHFFFAOYSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201266735 835179710 /nfs/dbraw/zinc/17/97/10/835179710.db2.gz FRGPOACBWXDTLQ-CQSZACIVSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(=O)NCCC)CC1 ZINC001265870243 835188545 /nfs/dbraw/zinc/18/85/45/835188545.db2.gz MAGDITLIEFALTP-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265881642 835191573 /nfs/dbraw/zinc/19/15/73/835191573.db2.gz NDYFBNKWLFZPSY-OAHLLOKOSA-N 2 0 320.437 -0.340 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265882653 835191930 /nfs/dbraw/zinc/19/19/30/835191930.db2.gz YSDWHMASBFCDAX-LSDHHAIUSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265938447 835204005 /nfs/dbraw/zinc/20/40/05/835204005.db2.gz WZBQWLJSYDKBBS-KGLIPLIRSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266026848 835219110 /nfs/dbraw/zinc/21/91/10/835219110.db2.gz SXMCJKRXPZRFKP-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266037467 835219961 /nfs/dbraw/zinc/21/99/61/835219961.db2.gz SDRMLNTZJKEEIW-ZIAGYGMSSA-N 2 0 308.426 -0.322 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266041592 835220977 /nfs/dbraw/zinc/22/09/77/835220977.db2.gz YHISPMKMMJEBFZ-ZDUSSCGKSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001266066700 835223975 /nfs/dbraw/zinc/22/39/75/835223975.db2.gz FKMOFRIQJYKAEG-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266066699 835224928 /nfs/dbraw/zinc/22/49/28/835224928.db2.gz FKMOFRIQJYKAEG-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266078106 835227094 /nfs/dbraw/zinc/22/70/94/835227094.db2.gz BVJURQWZFYNAMU-LSDHHAIUSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266078104 835227575 /nfs/dbraw/zinc/22/75/75/835227575.db2.gz BVJURQWZFYNAMU-GJZGRUSLSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCCO1 ZINC001202071167 835231198 /nfs/dbraw/zinc/23/11/98/835231198.db2.gz XPCYPYKWBGSYGA-HZPDHXFCSA-N 2 0 323.437 -0.205 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=O)NCC#N)C1CC1 ZINC001266126376 835233837 /nfs/dbraw/zinc/23/38/37/835233837.db2.gz VTORBMZCVVDXBI-AWEZNQCLSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001266145810 835236989 /nfs/dbraw/zinc/23/69/89/835236989.db2.gz DJIWKOPYPYGDGR-QLFBSQMISA-N 2 0 322.453 -0.050 20 30 DBEDRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001202207239 835239163 /nfs/dbraw/zinc/23/91/63/835239163.db2.gz LDZAOQDHSODUOW-UHFFFAOYSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266154607 835239772 /nfs/dbraw/zinc/23/97/72/835239772.db2.gz CJQDYCJSSLNCSQ-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266154602 835240073 /nfs/dbraw/zinc/24/00/73/835240073.db2.gz CJQDYCJSSLNCSQ-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266191884 835245385 /nfs/dbraw/zinc/24/53/85/835245385.db2.gz MAJJAJDXJKOJCQ-ZIAGYGMSSA-N 2 0 323.441 -0.015 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203693239 835304783 /nfs/dbraw/zinc/30/47/83/835304783.db2.gz UUPFWAWPCUWCHJ-ZDUSSCGKSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699355 835305571 /nfs/dbraw/zinc/30/55/71/835305571.db2.gz IQHAHSMDJBSETM-KGLIPLIRSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266518121 835327362 /nfs/dbraw/zinc/32/73/62/835327362.db2.gz USWWIOKAWDNWAR-HOCLYGCPSA-N 2 0 322.453 -0.240 20 30 DBEDRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001266716383 835365957 /nfs/dbraw/zinc/36/59/57/835365957.db2.gz JPTPALGLGNZSGT-OKILXGFUSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266778082 835380759 /nfs/dbraw/zinc/38/07/59/835380759.db2.gz HUMJZYHOPIULFN-CABCVRRESA-N 2 0 320.437 -0.342 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266826346 835391390 /nfs/dbraw/zinc/39/13/90/835391390.db2.gz PVXHXWACMSNBPI-CQSZACIVSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206653571 835407939 /nfs/dbraw/zinc/40/79/39/835407939.db2.gz HFMFOVVNPOUTRC-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NCC#N ZINC001266939580 835411273 /nfs/dbraw/zinc/41/12/73/835411273.db2.gz KNPJADBEGXUROS-AAEUAGOBSA-N 2 0 307.398 -0.938 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001266979581 835420101 /nfs/dbraw/zinc/42/01/01/835420101.db2.gz GWQZGKNOHDOAII-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206953651 835444858 /nfs/dbraw/zinc/44/48/58/835444858.db2.gz XRDOBUJSGZMJBK-UHFFFAOYSA-N 2 0 322.453 -0.096 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354344 835492194 /nfs/dbraw/zinc/49/21/94/835492194.db2.gz KBOSRZXFMKECIG-CQSZACIVSA-N 2 0 323.441 -0.109 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267374856 835497000 /nfs/dbraw/zinc/49/70/00/835497000.db2.gz ORPBMYIGCRFPOB-SOUVJXGZSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267571227 835532019 /nfs/dbraw/zinc/53/20/19/835532019.db2.gz KAMPJIDZSMFSOT-OAHLLOKOSA-N 2 0 320.437 -0.340 20 30 DBEDRP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001267570041 835532060 /nfs/dbraw/zinc/53/20/60/835532060.db2.gz HNNMFCJFMNSSFV-CQSZACIVSA-N 2 0 308.426 -0.484 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001267957905 835613037 /nfs/dbraw/zinc/61/30/37/835613037.db2.gz BNJUNAQVCPOVLZ-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)CC1 ZINC001267970280 835614484 /nfs/dbraw/zinc/61/44/84/835614484.db2.gz QPUPOKVQDIQGFN-CQSZACIVSA-N 2 0 306.410 -0.603 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268657832 835769407 /nfs/dbraw/zinc/76/94/07/835769407.db2.gz KGSPEKVGPULPAB-RDBSUJKOSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001268958486 835849358 /nfs/dbraw/zinc/84/93/58/835849358.db2.gz LCTGSOPGDHTPRS-CYBMUJFWSA-N 2 0 308.426 -0.357 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001268961794 835851106 /nfs/dbraw/zinc/85/11/06/835851106.db2.gz HXVSMQPQUBOSQP-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485714224 1013334419 /nfs/dbraw/zinc/33/44/19/1013334419.db2.gz CGXKAVVUBGVFKP-QWHCGFSZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485945712 1013444376 /nfs/dbraw/zinc/44/43/76/1013444376.db2.gz YZSUHEKPFWRAPV-CYBMUJFWSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001486007922 1013552457 /nfs/dbraw/zinc/55/24/57/1013552457.db2.gz KKKHKWRHAQXDSW-AWEZNQCLSA-N 2 0 311.426 -0.565 20 30 DBEDRP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001486240595 1013725679 /nfs/dbraw/zinc/72/56/79/1013725679.db2.gz NGKRUENKPMNMQE-ZDUSSCGKSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001486482497 1013848502 /nfs/dbraw/zinc/84/85/02/1013848502.db2.gz GJBYAXGVELAAPH-WLYUNCDWSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001527802415 1014297701 /nfs/dbraw/zinc/29/77/01/1014297701.db2.gz ACZSUPBUTLTERH-GOEBONIOSA-N 2 0 304.438 -0.021 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208341258 978345025 /nfs/dbraw/zinc/34/50/25/978345025.db2.gz XMYFBUZEHROWHA-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209287876 978442541 /nfs/dbraw/zinc/44/25/41/978442541.db2.gz OWGXSRLLETYMQV-AWEZNQCLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209474315 978454962 /nfs/dbraw/zinc/45/49/62/978454962.db2.gz GYJFTZZBGBIZLD-GDBMZVCRSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209641343 978470196 /nfs/dbraw/zinc/47/01/96/978470196.db2.gz ISMLRFXCGMQFBW-HUUCEWRRSA-N 2 0 320.437 -0.342 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674399 978525808 /nfs/dbraw/zinc/52/58/08/978525808.db2.gz VAFLBZXEMAJFCF-CYBMUJFWSA-N 2 0 319.409 -0.697 20 30 DBEDRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210750673 978530969 /nfs/dbraw/zinc/53/09/69/978530969.db2.gz HNEAEDNFFDBDIJ-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065588 978551681 /nfs/dbraw/zinc/55/16/81/978551681.db2.gz XSHXLKHBAKDRRD-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211065516 978552119 /nfs/dbraw/zinc/55/21/19/978552119.db2.gz WCGCUNGKCHSIGQ-STQMWFEESA-N 2 0 307.398 -0.842 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065589 978553547 /nfs/dbraw/zinc/55/35/47/978553547.db2.gz XSHXLKHBAKDRRD-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214343831 978725299 /nfs/dbraw/zinc/72/52/99/978725299.db2.gz HOLFCEGOBZJRTG-MGPQQGTHSA-N 2 0 308.426 -0.181 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214344216 978726584 /nfs/dbraw/zinc/72/65/84/978726584.db2.gz OSEATIYCNWSNRP-UPJWGTAASA-N 2 0 307.398 -0.843 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214855890 978754662 /nfs/dbraw/zinc/75/46/62/978754662.db2.gz QTCYKJGGCWRCHN-KYOSRNDESA-N 2 0 321.425 -0.597 20 30 DBEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001214950677 978757376 /nfs/dbraw/zinc/75/73/76/978757376.db2.gz WOJUKXILZXZGKB-JHJVBQTASA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458990 978771413 /nfs/dbraw/zinc/77/14/13/978771413.db2.gz SLFNZMDZUIMJRS-MGPQQGTHSA-N 2 0 308.426 -0.488 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540570 978772118 /nfs/dbraw/zinc/77/21/18/978772118.db2.gz MOHJBJCFHAYZQC-RRFJBIMHSA-N 2 0 320.437 -0.486 20 30 DBEDRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215536042 978773164 /nfs/dbraw/zinc/77/31/64/978773164.db2.gz FLTOWMOZMGNCBT-HZSPNIEDSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215535980 978773676 /nfs/dbraw/zinc/77/36/76/978773676.db2.gz BJWYBMQGHICSSE-RBSFLKMASA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216001987 978781615 /nfs/dbraw/zinc/78/16/15/978781615.db2.gz NEZYXSZBZZZVLV-RBSFLKMASA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383951 978785805 /nfs/dbraw/zinc/78/58/05/978785805.db2.gz SZLAKIJVJALLPL-QLFBSQMISA-N 2 0 320.437 -0.486 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405374 978786098 /nfs/dbraw/zinc/78/60/98/978786098.db2.gz JXGLACMALKFDDO-ZIAGYGMSSA-N 2 0 320.437 -0.179 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216754403 978793130 /nfs/dbraw/zinc/79/31/30/978793130.db2.gz SQFQIVYUMCQQJG-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC001218200087 978821945 /nfs/dbraw/zinc/82/19/45/978821945.db2.gz DSRJSVOGAJBLAQ-XUJVJEKNSA-N 2 0 318.377 -0.159 20 30 DBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001218595559 978835743 /nfs/dbraw/zinc/83/57/43/978835743.db2.gz OTIGDJLMCIGSCP-VIFPVBQESA-N 2 0 316.369 -0.200 20 30 DBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218637151 978839004 /nfs/dbraw/zinc/83/90/04/978839004.db2.gz GQZJUAUZGBQMJJ-LLVKDONJSA-N 2 0 322.332 -0.780 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001488718617 1014528738 /nfs/dbraw/zinc/52/87/38/1014528738.db2.gz XJUJBZWUOAEPRX-MJBXVCDLSA-N 2 0 306.410 -0.686 20 30 DBEDRP N#Cc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccc1O ZINC001218954256 978861190 /nfs/dbraw/zinc/86/11/90/978861190.db2.gz IRGFNOVEJWQUDA-CYBMUJFWSA-N 2 0 303.366 -0.047 20 30 DBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656070 978988984 /nfs/dbraw/zinc/98/89/84/978988984.db2.gz JMAHMFCZKNFUNS-TUVASFSCSA-N 2 0 311.426 -0.310 20 30 DBEDRP C#CC[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCC[NH2+]1 ZINC001219749661 979006002 /nfs/dbraw/zinc/00/60/02/979006002.db2.gz PSJWSDNVAAPLEO-OAHLLOKOSA-N 2 0 302.382 -0.467 20 30 DBEDRP C#CC[C@]1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219839077 979028786 /nfs/dbraw/zinc/02/87/86/979028786.db2.gz XRKBSFVNRPMCEN-BHYGNILZSA-N 2 0 321.421 -0.357 20 30 DBEDRP COc1ccc(C(=NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)NO)nc1 ZINC001220377107 979179817 /nfs/dbraw/zinc/17/98/17/979179817.db2.gz KEEJBWMEONAFFN-SNVBAGLBSA-N 2 0 305.338 -0.849 20 30 DBEDRP CN(CC[NH3+])CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220517395 979220078 /nfs/dbraw/zinc/22/00/78/979220078.db2.gz JYSKTAPQNLQLIN-HNNXBMFYSA-N 2 0 303.410 -0.175 20 30 DBEDRP C=C[C@H]1C[C@@]1(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)OCC ZINC001220571160 979234674 /nfs/dbraw/zinc/23/46/74/979234674.db2.gz KQDNHOOVKJNITN-OJDYBEQGSA-N 2 0 307.394 -0.191 20 30 DBEDRP NC(=O)c1ccc(C(N)=NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001220643737 979251872 /nfs/dbraw/zinc/25/18/72/979251872.db2.gz QUHLLVOVSZWATN-MLGOLLRUSA-N 2 0 315.377 -0.784 20 30 DBEDRP COCC#CCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755606 979276795 /nfs/dbraw/zinc/27/67/95/979276795.db2.gz SAVHTXFWNHGLDF-KFWWJZLASA-N 2 0 309.410 -0.861 20 30 DBEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001220859729 979311635 /nfs/dbraw/zinc/31/16/35/979311635.db2.gz KZIIUVUKXUELDL-UTLUCORTSA-N 2 0 307.416 -0.817 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCO[C@H]2CC[NH2+]C2)c1 ZINC001220936259 979330158 /nfs/dbraw/zinc/33/01/58/979330158.db2.gz DRFXBFJFEKDBNE-GJZGRUSLSA-N 2 0 302.378 -0.077 20 30 DBEDRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001227056712 979658034 /nfs/dbraw/zinc/65/80/34/979658034.db2.gz JITPXKDIVQDJAE-MGPQQGTHSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355940 979673290 /nfs/dbraw/zinc/67/32/90/979673290.db2.gz WJQPKCVAETYKFZ-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NCC#N ZINC001331468575 979880843 /nfs/dbraw/zinc/88/08/43/979880843.db2.gz CVIRRUJTNWYZLE-LBPRGKRZSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331530263 979886125 /nfs/dbraw/zinc/88/61/25/979886125.db2.gz AEVUCEFCMIDFMC-KGLIPLIRSA-N 2 0 308.426 -0.343 20 30 DBEDRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NCC#N ZINC001331528675 979886654 /nfs/dbraw/zinc/88/66/54/979886654.db2.gz FXODKQCIHNUXHE-GFCCVEGCSA-N 2 0 309.414 -0.596 20 30 DBEDRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001331543627 979887864 /nfs/dbraw/zinc/88/78/64/979887864.db2.gz MRWLOMIUSCRSCB-GFCCVEGCSA-N 2 0 309.414 -0.596 20 30 DBEDRP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]CC(=O)NCC#N ZINC001331584523 979891230 /nfs/dbraw/zinc/89/12/30/979891230.db2.gz LRKBXZPPLSDPLL-VXGBXAGGSA-N 2 0 320.397 -0.335 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343424042 979945956 /nfs/dbraw/zinc/94/59/56/979945956.db2.gz PWWUSVFNQLYKHL-LBPRGKRZSA-N 2 0 306.410 -0.427 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001488859236 1014616498 /nfs/dbraw/zinc/61/64/98/1014616498.db2.gz VFXKYXLRADPPFX-RBSFLKMASA-N 2 0 320.437 -0.438 20 30 DBEDRP N#CC[C@]1(O)CC[NH+](CCOCC[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001345780989 980086316 /nfs/dbraw/zinc/08/63/16/980086316.db2.gz LADDCVUGJNNZAE-HOTGVXAUSA-N 2 0 322.409 -0.296 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC(=O)NCC#N ZINC001490281768 1014917786 /nfs/dbraw/zinc/91/77/86/1014917786.db2.gz NAGAHVUPIPMYPE-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001367622969 984481154 /nfs/dbraw/zinc/48/11/54/984481154.db2.gz IISCLDTZRJPXDS-DGCLKSJQSA-N 2 0 319.833 -0.226 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734466 1015098831 /nfs/dbraw/zinc/09/88/31/1015098831.db2.gz AYPSGESBFDMOEM-ZIAGYGMSSA-N 2 0 308.426 -0.275 20 30 DBEDRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001490841349 1015129329 /nfs/dbraw/zinc/12/93/29/1015129329.db2.gz KEPKPQSGBMAHNG-ZDUSSCGKSA-N 2 0 307.398 -0.842 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001490890045 1015150596 /nfs/dbraw/zinc/15/05/96/1015150596.db2.gz QYHXTTWGMTYZPU-RBSFLKMASA-N 2 0 320.437 -0.133 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001491171248 1015269454 /nfs/dbraw/zinc/26/94/54/1015269454.db2.gz VGRMXOAKTZYYJU-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183163 1015276275 /nfs/dbraw/zinc/27/62/75/1015276275.db2.gz AIZYOQCGNBRSKW-UONOGXRCSA-N 2 0 321.425 -0.594 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491810993 1015634507 /nfs/dbraw/zinc/63/45/07/1015634507.db2.gz QFROOBNJIBRIBU-ZBFHGGJFSA-N 2 0 322.453 -0.240 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491857806 1015653851 /nfs/dbraw/zinc/65/38/51/1015653851.db2.gz YOUBZOBDJREGKV-AWEZNQCLSA-N 2 0 306.410 -0.730 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493186777 1015865295 /nfs/dbraw/zinc/86/52/95/1015865295.db2.gz ZQTUWUFFISIXIW-KGLIPLIRSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495231313 1016588224 /nfs/dbraw/zinc/58/82/24/1016588224.db2.gz DFJBRCSOSXZOQQ-PBHICJAKSA-N 2 0 320.437 -0.296 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001495667056 1016681683 /nfs/dbraw/zinc/68/16/83/1016681683.db2.gz HBUHKACOGXKKCM-HZSPNIEDSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149078 1016852124 /nfs/dbraw/zinc/85/21/24/1016852124.db2.gz KBXZPUWGUIJRAR-KGLIPLIRSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149080 1016851779 /nfs/dbraw/zinc/85/17/79/1016851779.db2.gz KBXZPUWGUIJRAR-UONOGXRCSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496361233 1016896800 /nfs/dbraw/zinc/89/68/00/1016896800.db2.gz JGGDQHCYOJBUCW-UONOGXRCSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479416301 1010282869 /nfs/dbraw/zinc/28/28/69/1010282869.db2.gz YCWPKPUSRZLQKG-XQLPTFJDSA-N 2 0 320.437 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479475837 1010289628 /nfs/dbraw/zinc/28/96/28/1010289628.db2.gz UEFVZRCNQKXNAO-UONOGXRCSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001479815797 1010401900 /nfs/dbraw/zinc/40/19/00/1010401900.db2.gz NGRXQFCHOQYWHT-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001480573502 1010700091 /nfs/dbraw/zinc/70/00/91/1010700091.db2.gz IBFZRBYDYPSOPK-KBPBESRZSA-N 2 0 320.437 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480765204 1010756245 /nfs/dbraw/zinc/75/62/45/1010756245.db2.gz BBGZNRPTZSTPJC-MGPQQGTHSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230966 1010866779 /nfs/dbraw/zinc/86/67/79/1010866779.db2.gz KVEONPMBUWBZES-DZGCQCFKSA-N 2 0 320.437 -0.486 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316865 1011115900 /nfs/dbraw/zinc/11/59/00/1011115900.db2.gz LWQXQRNRBJDMLP-CYBMUJFWSA-N 2 0 323.441 -0.063 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316866 1011116394 /nfs/dbraw/zinc/11/63/94/1011116394.db2.gz LWQXQRNRBJDMLP-ZDUSSCGKSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O)CC1 ZINC001482369071 1011133409 /nfs/dbraw/zinc/13/34/09/1011133409.db2.gz UDBKWGQNOJPILY-QWHCGFSZSA-N 2 0 308.426 -0.358 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482696625 1011268293 /nfs/dbraw/zinc/26/82/93/1011268293.db2.gz CXXNSWPQAXFARX-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482790652 1011465320 /nfs/dbraw/zinc/46/53/20/1011465320.db2.gz GXDWPKZWJVXGPK-QWRGUYRKSA-N 2 0 320.231 -0.087 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483046920 1011639616 /nfs/dbraw/zinc/63/96/16/1011639616.db2.gz JCWPYIDVAQCODY-CNBITHIKSA-N 2 0 320.437 -0.129 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001483263061 1011821303 /nfs/dbraw/zinc/82/13/03/1011821303.db2.gz CQEBOJYYYVWOBX-QWHCGFSZSA-N 2 0 308.426 -0.440 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001483916342 1012204779 /nfs/dbraw/zinc/20/47/79/1012204779.db2.gz ODNANSWQBYLSPX-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484124098 1012317754 /nfs/dbraw/zinc/31/77/54/1012317754.db2.gz FCUOSZVXOPXHSS-PBHICJAKSA-N 2 0 320.437 -0.484 20 30 DBEDRP C=CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484250177 1012460641 /nfs/dbraw/zinc/46/06/41/1012460641.db2.gz CTZCMMWKNTVSFB-GDBMZVCRSA-N 2 0 311.426 -0.306 20 30 DBEDRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC#N)C2 ZINC001484317823 1012574321 /nfs/dbraw/zinc/57/43/21/1012574321.db2.gz JJFBIPPAWUUCFG-MJBXVCDLSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001484408769 1012613617 /nfs/dbraw/zinc/61/36/17/1012613617.db2.gz SUKNBWBOPJHLTF-QLFBSQMISA-N 2 0 320.437 -0.534 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484534789 1012760160 /nfs/dbraw/zinc/76/01/60/1012760160.db2.gz AAVOKHLJCMLVRP-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001497261648 1017326459 /nfs/dbraw/zinc/32/64/59/1017326459.db2.gz FBURUESOUHWHHS-LBPRGKRZSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001497400458 1017367066 /nfs/dbraw/zinc/36/70/66/1017367066.db2.gz DSAFDODAIWUVKN-UHFFFAOYSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@H](C)C(N)=O)CC1 ZINC001497501234 1017396983 /nfs/dbraw/zinc/39/69/83/1017396983.db2.gz PYQUCPJOKNGHNZ-CYBMUJFWSA-N 2 0 308.426 -0.357 20 30 DBEDRP COCC#CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001500601254 1018360877 /nfs/dbraw/zinc/36/08/77/1018360877.db2.gz ZWOHFYNVJMDJSL-UHFFFAOYSA-N 2 0 323.437 -0.013 20 30 DBEDRP C=CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500706632 1018420906 /nfs/dbraw/zinc/42/09/06/1018420906.db2.gz KGDYURCDOZTOJZ-ZBFHGGJFSA-N 2 0 311.426 -0.164 20 30 DBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001502082715 1018979135 /nfs/dbraw/zinc/97/91/35/1018979135.db2.gz LCTFCAPHIFXHII-OAHLLOKOSA-N 2 0 309.410 -0.453 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CCOC)C2)CC1 ZINC001502094440 1018987273 /nfs/dbraw/zinc/98/72/73/1018987273.db2.gz HDZJTQJLPIDKEC-INIZCTEOSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001502760207 1019167403 /nfs/dbraw/zinc/16/74/03/1019167403.db2.gz TVWINWYIOSWGCB-UONOGXRCSA-N 2 0 306.410 -0.732 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C3C[NH2+]C3)CC2)CC1 ZINC001574936305 1019314603 /nfs/dbraw/zinc/31/46/03/1019314603.db2.gz JMMMCTYSZYKTQS-UHFFFAOYSA-N 2 0 307.442 -0.064 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001506816170 1019946077 /nfs/dbraw/zinc/94/60/77/1019946077.db2.gz OGPAFDFZEBKAJA-XQLPTFJDSA-N 2 0 320.437 -0.630 20 30 DBEDRP COCC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001506848401 1019969239 /nfs/dbraw/zinc/96/92/39/1019969239.db2.gz AFSVFITUKAIRTF-CVEARBPZSA-N 2 0 323.437 -0.063 20 30 DBEDRP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NCC#N ZINC001507071467 1020073082 /nfs/dbraw/zinc/07/30/82/1020073082.db2.gz AJTJLVYREFWRHT-OCCSQVGLSA-N 2 0 321.425 -0.596 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001507083605 1020081742 /nfs/dbraw/zinc/08/17/42/1020081742.db2.gz UFKQXHWLGDGOTN-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001578412893 1020232760 /nfs/dbraw/zinc/23/27/60/1020232760.db2.gz BYYWJNONYOEIRS-ZDUSSCGKSA-N 2 0 322.409 -0.464 20 30 DBEDRP N#Cc1ccc(CN2CCCN(C(=O)[C@H]([NH3+])CO)CC2)cc1 ZINC001580066252 1020641204 /nfs/dbraw/zinc/64/12/04/1020641204.db2.gz HSZCOBITROUAFW-OAHLLOKOSA-N 2 0 302.378 -0.088 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001565920140 1024090640 /nfs/dbraw/zinc/09/06/40/1024090640.db2.gz PMRNDQPDAKIDET-LSDHHAIUSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001566778898 1024366620 /nfs/dbraw/zinc/36/66/20/1024366620.db2.gz FGTSKBZADJDYOQ-UONOGXRCSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001566877137 1024407822 /nfs/dbraw/zinc/40/78/22/1024407822.db2.gz QTDGJJDMDAOISI-AWEZNQCLSA-N 2 0 308.426 -0.484 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001566991676 1024454190 /nfs/dbraw/zinc/45/41/90/1024454190.db2.gz GLPBOBLJWDMMQU-UHFFFAOYSA-N 2 0 323.441 -0.017 20 30 DBEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001567017180 1024465991 /nfs/dbraw/zinc/46/59/91/1024465991.db2.gz VMWLTPSBHAXOAN-STQMWFEESA-N 2 0 309.414 -0.407 20 30 DBEDRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001567042404 1024482270 /nfs/dbraw/zinc/48/22/70/1024482270.db2.gz RICLRAXNIKXQEB-LBPRGKRZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001567101521 1024520973 /nfs/dbraw/zinc/52/09/73/1024520973.db2.gz NMJGDCMXXIJHEC-IHRRRGAJSA-N 2 0 321.425 -0.453 20 30 DBEDRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567177970 1024560406 /nfs/dbraw/zinc/56/04/06/1024560406.db2.gz YMYZYNSWOLKBMK-KGLIPLIRSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001567418760 1024690133 /nfs/dbraw/zinc/69/01/33/1024690133.db2.gz AIFSQDCZTAGITE-HUUCEWRRSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001567548673 1024784468 /nfs/dbraw/zinc/78/44/68/1024784468.db2.gz RFQSYMHPBLFNTD-HNNXBMFYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC#N ZINC001568172190 1024870195 /nfs/dbraw/zinc/87/01/95/1024870195.db2.gz PETVXKXSEUWRQD-JHJVBQTASA-N 2 0 309.414 -0.692 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001568246297 1024882902 /nfs/dbraw/zinc/88/29/02/1024882902.db2.gz DPAQVXWLRFDBOA-CQSZACIVSA-N 2 0 320.437 -0.294 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568775649 1025010503 /nfs/dbraw/zinc/01/05/03/1025010503.db2.gz GEAXOMSDRUBINH-CYBMUJFWSA-N 2 0 309.414 -0.594 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001568964240 1025099779 /nfs/dbraw/zinc/09/97/79/1025099779.db2.gz PMUOXKBVQLRNEB-WFVIONGDSA-N 2 0 320.437 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001568970470 1025101653 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311.426 -0.157 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569828746 1025374705 /nfs/dbraw/zinc/37/47/05/1025374705.db2.gz NVWCPUHXOZRQJW-HUUCEWRRSA-N 2 0 322.453 -0.097 20 30 DBEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001570163548 1025507530 /nfs/dbraw/zinc/50/75/30/1025507530.db2.gz LQMYFJAQKXYZTP-HUUCEWRRSA-N 2 0 311.426 -0.042 20 30 DBEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001570163406 1025509829 /nfs/dbraw/zinc/50/98/29/1025509829.db2.gz ISSWFUHKQJBFOV-CVEARBPZSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001570962167 1025803820 /nfs/dbraw/zinc/80/38/20/1025803820.db2.gz WQLWBBFEQIFSHD-YHUYYLMFSA-N 2 0 305.422 -0.118 20 30 DBEDRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NCC#N ZINC001571419763 1025951021 /nfs/dbraw/zinc/95/10/21/1025951021.db2.gz XNJZTGPCCFKHEY-AWEZNQCLSA-N 2 0 323.441 -0.061 20 30 DBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001571432671 1025987111 /nfs/dbraw/zinc/98/71/11/1025987111.db2.gz SWIXQSNIILUJOP-CABCVRRESA-N 2 0 311.426 -0.423 20 30 DBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001571443084 1026013016 /nfs/dbraw/zinc/01/30/16/1026013016.db2.gz ILUHJXRIXVKDGV-CQSZACIVSA-N 2 0 307.398 -0.852 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC#CCOC)CC1 ZINC001571448000 1026022459 /nfs/dbraw/zinc/02/24/59/1026022459.db2.gz MRJXPBLALCXWGN-MRXNPFEDSA-N 2 0 321.421 -0.952 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CC2C[NH2+]C2)C(=O)OCC)CC1 ZINC001574673583 1026802332 /nfs/dbraw/zinc/80/23/32/1026802332.db2.gz OGFVRXRYBVIIKD-OAHLLOKOSA-N 2 0 321.421 -0.011 20 30 DBEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264095990 529803046 /nfs/dbraw/zinc/80/30/46/529803046.db2.gz MQSKRLVDAQZBGI-CYBMUJFWSA-N 2 0 303.414 -0.135 20 30 DBEDRP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)n1cnc(C#N)n1 ZINC000597990224 376187502 /nfs/dbraw/zinc/18/75/02/376187502.db2.gz SDAAMQCZCRNNHT-LBPRGKRZSA-N 2 0 307.402 -0.290 20 30 DBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC[C@](C)(O)c1ccco1 ZINC000261665301 377260135 /nfs/dbraw/zinc/26/01/35/377260135.db2.gz GLWIVUDEXYNBGR-BBRMVZONSA-N 2 0 321.425 -0.348 20 30 DBEDRP CC(C)[C@@](C)([NH2+]CC#CC[NH2+][C@](C)(C(N)=O)C(C)C)C(N)=O ZINC000459476706 380777154 /nfs/dbraw/zinc/77/71/54/380777154.db2.gz HCBKSELFRCURCP-IYBDPMFKSA-N 2 0 310.442 -0.031 20 30 DBEDRP C[NH+](C)C1(C(=O)NCC#CCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000613394987 381068628 /nfs/dbraw/zinc/06/86/28/381068628.db2.gz KVGOYVAVJYJADT-UHFFFAOYSA-N 2 0 306.410 -0.589 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519250 381078762 /nfs/dbraw/zinc/07/87/62/381078762.db2.gz LYGWSJNZANQVLB-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419820365 382503505 /nfs/dbraw/zinc/50/35/05/382503505.db2.gz RVSPAWBZJXXXRS-UHFFFAOYSA-N 2 0 317.393 -0.477 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419730711 393591079 /nfs/dbraw/zinc/59/10/79/393591079.db2.gz QAIVUWAATBOLLA-UHFFFAOYSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCN1CCN(C(=O)CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000491143592 393803514 /nfs/dbraw/zinc/80/35/14/393803514.db2.gz GLEDBWAWWXZXCU-HZPDHXFCSA-N 2 0 322.453 -0.849 20 30 DBEDRP CC(C)[NH+](C)CC(=O)NCC#CCNC(=O)C[N@@H+](C)C(C)C ZINC000680340641 544945836 /nfs/dbraw/zinc/94/58/36/544945836.db2.gz LCGIRECKTDSNRL-UHFFFAOYSA-N 2 0 310.442 -0.097 20 30 DBEDRP C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569504085 332110061 /nfs/dbraw/zinc/11/00/61/332110061.db2.gz RBFCNUWIFBIANX-CYBMUJFWSA-N 2 0 319.475 -0.252 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419702743 337491474 /nfs/dbraw/zinc/49/14/74/337491474.db2.gz BXBACASOFCVCGU-CYBMUJFWSA-N 2 0 308.426 -0.037 20 30 DBEDRP C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)CN1CC[NH+](C)CC1 ZINC000520798440 337515863 /nfs/dbraw/zinc/51/58/63/337515863.db2.gz VXKBYIFZYKUGAL-HZPDHXFCSA-N 2 0 311.474 -0.334 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001021090496 663945502 /nfs/dbraw/zinc/94/55/02/663945502.db2.gz XHPDLYRZRPYSDT-MRVWCRGKSA-N 2 0 306.410 -0.558 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022221958 664239140 /nfs/dbraw/zinc/23/91/40/664239140.db2.gz TWJVWZWHGMOBOV-XGUBFFRZSA-N 2 0 318.421 -0.449 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@]2(CCOC2)C1 ZINC000261999737 664291090 /nfs/dbraw/zinc/29/10/90/664291090.db2.gz UBSGBTPUKIIKPS-ZBFHGGJFSA-N 2 0 307.442 -0.326 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2CC(N)=O)CC1 ZINC001024813317 664919156 /nfs/dbraw/zinc/91/91/56/664919156.db2.gz YYWCWAQYSDAHJA-HNNXBMFYSA-N 2 0 320.437 -0.212 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911236031 674692996 /nfs/dbraw/zinc/69/29/96/674692996.db2.gz LIXIUXPJJWFGPM-ZDUSSCGKSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@]2(CCOC2)C1 ZINC000261999730 671175550 /nfs/dbraw/zinc/17/55/50/671175550.db2.gz UBSGBTPUKIIKPS-GDBMZVCRSA-N 2 0 307.442 -0.326 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@H]2C)CC1 ZINC000987577612 671699191 /nfs/dbraw/zinc/69/91/91/671699191.db2.gz VGDCUXDMVJDCDM-TZMCWYRMSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)[C@@H]2C)CC1 ZINC000987577607 671699720 /nfs/dbraw/zinc/69/97/20/671699720.db2.gz VGDCUXDMVJDCDM-GXTWGEPZSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000917973021 677451237 /nfs/dbraw/zinc/45/12/37/677451237.db2.gz SUVCDRNSIQKARM-MRXNPFEDSA-N 2 0 321.469 -0.029 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)CC1 ZINC000996665394 678277088 /nfs/dbraw/zinc/27/70/88/678277088.db2.gz BUCLSYGQXJKZDJ-CQSZACIVSA-N 2 0 320.437 -0.357 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001000991109 678890751 /nfs/dbraw/zinc/89/07/51/678890751.db2.gz GHWOAZDDGJBJAU-HIFRSBDPSA-N 2 0 320.437 -0.214 20 30 DBEDRP C[NH+]=C(NCCC[N@@H+](C)CCOC)NCCN1CCOCC1 ZINC000848993269 805854343 /nfs/dbraw/zinc/85/43/43/805854343.db2.gz SBOVGPBFHXSPAH-UHFFFAOYSA-N 2 0 315.462 -0.548 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040008 806075107 /nfs/dbraw/zinc/07/51/07/806075107.db2.gz CAWKFZTZZWUJBA-HNNXBMFYSA-N 2 0 322.453 -0.142 20 30 DBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317097714 806087768 /nfs/dbraw/zinc/08/77/68/806087768.db2.gz VIRJTSGAVMHTDT-AAVRWANBSA-N 2 0 321.425 -0.264 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317115104 806090681 /nfs/dbraw/zinc/09/06/81/806090681.db2.gz JPCREYKSJBZNMV-MJBXVCDLSA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001317213666 806106854 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C#CCNC(=O)[C@@H](C)N(C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001320008535 806429246 /nfs/dbraw/zinc/42/92/46/806429246.db2.gz JBGCQXPKMRSNGX-CQSZACIVSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001320643065 806513455 /nfs/dbraw/zinc/51/34/55/806513455.db2.gz BXAWXCVTICNPPT-UKRRQHHQSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001320643066 806513481 /nfs/dbraw/zinc/51/34/81/806513481.db2.gz BXAWXCVTICNPPT-ZFWWWQNUSA-N 2 0 320.437 -0.296 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000867979844 806533201 /nfs/dbraw/zinc/53/32/01/806533201.db2.gz OTEHHMDJJHYSSJ-HIFRSBDPSA-N 2 0 300.362 -0.150 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321640248 806650865 /nfs/dbraw/zinc/65/08/65/806650865.db2.gz CQEBOJYYYVWOBX-CHWSQXEVSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875239457 806739786 /nfs/dbraw/zinc/73/97/86/806739786.db2.gz DOFBWPSVERXUOV-HUUCEWRRSA-N 2 0 322.453 -0.286 20 30 DBEDRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801825 806806430 /nfs/dbraw/zinc/80/64/30/806806430.db2.gz JJXDVQGBOHLYEO-JHJVBQTASA-N 2 0 302.382 -0.043 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323109895 806825546 /nfs/dbraw/zinc/82/55/46/806825546.db2.gz USWFDVDWSJUPNG-KGLIPLIRSA-N 2 0 308.426 -0.275 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278417134 803789724 /nfs/dbraw/zinc/78/97/24/803789724.db2.gz SUBGRKGXINWNRJ-KGLIPLIRSA-N 2 0 318.421 -0.589 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278417136 803790158 /nfs/dbraw/zinc/79/01/58/803790158.db2.gz SUBGRKGXINWNRJ-ZIAGYGMSSA-N 2 0 318.421 -0.589 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278423993 803791524 /nfs/dbraw/zinc/79/15/24/803791524.db2.gz MYCQNZPSVPSMAV-STQMWFEESA-N 2 0 309.414 -0.455 20 30 DBEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])N3CCOCC3)ccn2)CC1 ZINC000303881404 803836533 /nfs/dbraw/zinc/83/65/33/803836533.db2.gz HSBVPSAUIAUXAO-UHFFFAOYSA-N 2 0 318.425 -0.020 20 30 DBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)NS(C)(=O)=O ZINC000304760560 803837572 /nfs/dbraw/zinc/83/75/72/803837572.db2.gz SNLZNXKBOSFQCG-NSHDSACASA-N 2 0 319.475 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001279179837 803874326 /nfs/dbraw/zinc/87/43/26/803874326.db2.gz AMASNEPMSXAXDL-LSDHHAIUSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001279193033 803875056 /nfs/dbraw/zinc/87/50/56/803875056.db2.gz IEXSNKAFAAOCFM-CABCVRRESA-N 2 0 320.437 -0.484 20 30 DBEDRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001279274220 803876816 /nfs/dbraw/zinc/87/68/16/803876816.db2.gz SPHJFVKVZJSITO-RUXDESIVSA-N 2 0 321.425 -0.311 20 30 DBEDRP 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CC#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050062 826797442 /nfs/dbraw/zinc/79/74/42/826797442.db2.gz BLHDFVNABZSLRQ-JKSUJKDBSA-N 2 0 323.437 -0.328 20 30 DBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100055982 826802733 /nfs/dbraw/zinc/80/27/33/826802733.db2.gz MLNFNRDHSRFGGJ-HZPDHXFCSA-N 2 0 323.437 -0.328 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001274610828 833109062 /nfs/dbraw/zinc/10/90/62/833109062.db2.gz QUTLFJJDCCSMKC-ZFDPJTLLSA-N 2 0 306.410 -0.533 20 30 DBEDRP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109482 826858958 /nfs/dbraw/zinc/85/89/58/826858958.db2.gz GEGLRCYVTOJMSH-HUUCEWRRSA-N 2 0 311.426 -0.164 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872421 833122102 /nfs/dbraw/zinc/12/21/02/833122102.db2.gz RDJGKKKEWLPMSZ-CKDBGZEDSA-N 2 0 321.421 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343559 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C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165269933 833233629 /nfs/dbraw/zinc/23/36/29/833233629.db2.gz AFQXDKBKSCUXDY-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981087 827689731 /nfs/dbraw/zinc/68/97/31/827689731.db2.gz GBPQGHOXYVSIFC-QLFBSQMISA-N 2 0 320.437 -0.628 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106983050 827690596 /nfs/dbraw/zinc/69/05/96/827690596.db2.gz SIERIUARVPTMFF-RBSFLKMASA-N 2 0 322.453 -0.076 20 30 DBEDRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167635354 833305626 /nfs/dbraw/zinc/30/56/26/833305626.db2.gz JJMOYMOMLXOYBO-UHFFFAOYSA-N 2 0 323.441 -0.156 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167666754 833306333 /nfs/dbraw/zinc/30/63/33/833306333.db2.gz BCNKIFNPYHKLHC-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030382 833315937 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DBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001121998458 829536976 /nfs/dbraw/zinc/53/69/76/829536976.db2.gz ZMJCKRVCYYLUCN-AWEZNQCLSA-N 2 0 308.426 -0.050 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NCC)CC1 ZINC001176925912 833436842 /nfs/dbraw/zinc/43/68/42/833436842.db2.gz DKHAVDNOLOPPLH-UHFFFAOYSA-N 2 0 308.426 -0.436 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124838818 829795003 /nfs/dbraw/zinc/79/50/03/829795003.db2.gz ZZNZHYVVYOJYQF-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466667 830013556 /nfs/dbraw/zinc/01/35/56/830013556.db2.gz ZCEFPGMJRWOWEQ-TZMCWYRMSA-N 2 0 308.426 -0.275 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481771 830014401 /nfs/dbraw/zinc/01/44/01/830014401.db2.gz WREUQLAJAVIGOD-HUUCEWRRSA-N 2 0 320.437 -0.179 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481262 830014644 /nfs/dbraw/zinc/01/46/44/830014644.db2.gz QRTRPYRTWLHVJJ-JSGCOSHPSA-N 2 0 306.410 -0.828 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128534116 830095275 /nfs/dbraw/zinc/09/52/75/830095275.db2.gz VXZXSAMCKWYGFJ-LBPRGKRZSA-N 2 0 300.378 -0.879 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128543468 830095691 /nfs/dbraw/zinc/09/56/91/830095691.db2.gz DFGZJOJJZLMNSI-STQMWFEESA-N 2 0 314.405 -0.490 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001129358495 830175525 /nfs/dbraw/zinc/17/55/25/830175525.db2.gz SLEGCUOGPBNRDA-CYBMUJFWSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129845928 830217142 /nfs/dbraw/zinc/21/71/42/830217142.db2.gz KTUVZELVZXXHNT-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129845926 830217304 /nfs/dbraw/zinc/21/73/04/830217304.db2.gz KTUVZELVZXXHNT-KGLIPLIRSA-N 2 0 308.426 -0.296 20 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830869055 /nfs/dbraw/zinc/86/90/55/830869055.db2.gz HQCXMGVLAPALSM-NSHDSACASA-N 2 0 313.402 -0.956 20 30 DBEDRP C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCCC1 ZINC001134749889 830974632 /nfs/dbraw/zinc/97/46/32/830974632.db2.gz FKNCKMIDVXUHRB-CYBMUJFWSA-N 2 0 309.414 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299088 831048302 /nfs/dbraw/zinc/04/83/02/831048302.db2.gz UEQRBHIWWOSDQA-KGLIPLIRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135317352 831048496 /nfs/dbraw/zinc/04/84/96/831048496.db2.gz YBQRDCDSWMIQOQ-KGLIPLIRSA-N 2 0 310.442 -0.050 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCC[NH+](C)C ZINC001135317549 831050654 /nfs/dbraw/zinc/05/06/54/831050654.db2.gz ZBEILTTZLMTHEY-QWHCGFSZSA-N 2 0 311.430 -0.159 20 30 DBEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135437424 831070889 /nfs/dbraw/zinc/07/08/89/831070889.db2.gz SLMNWHZPJMJEEZ-UHFFFAOYSA-N 2 0 311.430 -0.156 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647442 833725786 /nfs/dbraw/zinc/72/57/86/833725786.db2.gz HWBHFMUTPRPMGN-KGLIPLIRSA-N 2 0 306.410 -0.589 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135882276 831131992 /nfs/dbraw/zinc/13/19/92/831131992.db2.gz JTGSZPFOQXTXOW-CHWSQXEVSA-N 2 0 311.430 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976944 831144248 /nfs/dbraw/zinc/14/42/48/831144248.db2.gz OLPLJALQKQHHLP-UONOGXRCSA-N 2 0 310.442 -0.050 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCCC1 ZINC001146336308 831276674 /nfs/dbraw/zinc/27/66/74/831276674.db2.gz ATKJSDBJZFVJQJ-STQMWFEESA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341400 831278109 /nfs/dbraw/zinc/27/81/09/831278109.db2.gz XPESJDWAIUOIJK-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147824509 831410271 /nfs/dbraw/zinc/41/02/71/831410271.db2.gz KPDPFTQSDFFMNE-QWHCGFSZSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(C)CC)CC1 ZINC001152329755 831740805 /nfs/dbraw/zinc/74/08/05/831740805.db2.gz ANVDNJOFZOCCDZ-UHFFFAOYSA-N 2 0 308.426 -0.484 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001152323712 831740822 /nfs/dbraw/zinc/74/08/22/831740822.db2.gz CCOONPYTJXYGFK-HNNXBMFYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001152329853 831740996 /nfs/dbraw/zinc/74/09/96/831740996.db2.gz CJHNKVHRXQKSMP-UHFFFAOYSA-N 2 0 320.437 -0.340 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC(C)C)CC1 ZINC001152330455 831741175 /nfs/dbraw/zinc/74/11/75/831741175.db2.gz NNRHAFYMXWPLBE-UHFFFAOYSA-N 2 0 322.453 -0.190 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001152335041 831741796 /nfs/dbraw/zinc/74/17/96/831741796.db2.gz XKCPVHIRPIBENX-UHFFFAOYSA-N 2 0 315.439 -0.918 20 30 DBEDRP CS(=O)(=O)N(CC[NH3+])c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001154765164 831898574 /nfs/dbraw/zinc/89/85/74/831898574.db2.gz GVBIHIKODSUAPN-UHFFFAOYSA-N 2 0 309.395 -0.286 20 30 DBEDRP N#Cc1c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ncc2c1CCC[NH2+]C2 ZINC001155571180 831940120 /nfs/dbraw/zinc/94/01/20/831940120.db2.gz RXHVFSAZNWXFMG-CZUORRHYSA-N 2 0 312.377 -0.021 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197368 832099102 /nfs/dbraw/zinc/09/91/02/832099102.db2.gz XKIKXJGZHWDODB-CYBMUJFWSA-N 2 0 307.398 -0.936 20 30 DBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262137 832101206 /nfs/dbraw/zinc/10/12/06/832101206.db2.gz QKOFQRCOHUFKET-IAQYHMDHSA-N 2 0 302.382 -0.398 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158412085 832110138 /nfs/dbraw/zinc/11/01/38/832110138.db2.gz LUFFGKNOOZMYCH-QLFBSQMISA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001269115206 832141708 /nfs/dbraw/zinc/14/17/08/832141708.db2.gz HRDKNFXNLLCECH-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159155863 832159500 /nfs/dbraw/zinc/15/95/00/832159500.db2.gz VLDHKIUDHXXWIK-GFCCVEGCSA-N 2 0 315.393 -0.598 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715992 833807899 /nfs/dbraw/zinc/80/78/99/833807899.db2.gz NJMGBMUFJUUTCR-MCIONIFRSA-N 2 0 308.426 -0.345 20 30 DBEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269428658 832432545 /nfs/dbraw/zinc/43/25/45/832432545.db2.gz QKNCNEKFXOXVOZ-ZDUSSCGKSA-N 2 0 321.425 -0.261 20 30 DBEDRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492866 832442078 /nfs/dbraw/zinc/44/20/78/832442078.db2.gz PYEODBYCIFGVHX-STQMWFEESA-N 2 0 309.414 -0.548 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271076525 832616026 /nfs/dbraw/zinc/61/60/26/832616026.db2.gz TURBCKNOHQBKMB-IHRRRGAJSA-N 2 0 323.441 -0.207 20 30 DBEDRP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001271159085 832631346 /nfs/dbraw/zinc/63/13/46/832631346.db2.gz HNEGUDYQICCXGI-ZBFHGGJFSA-N 2 0 311.426 -0.471 20 30 DBEDRP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001271841052 832706413 /nfs/dbraw/zinc/70/64/13/832706413.db2.gz YUQZCIGAHSPURY-QLFBSQMISA-N 2 0 318.421 -0.780 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001271892180 832713623 /nfs/dbraw/zinc/71/36/23/832713623.db2.gz PTGOGOOJEPRYKI-OKILXGFUSA-N 2 0 321.425 -0.642 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC#CC)CC1 ZINC001272314755 832770342 /nfs/dbraw/zinc/77/03/42/832770342.db2.gz BJQZSOCDGJHIHV-UHFFFAOYSA-N 2 0 305.422 -0.235 20 30 DBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272780568 832832406 /nfs/dbraw/zinc/83/24/06/832832406.db2.gz ALDLMGGQTNDZTB-OCCSQVGLSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003554 832865425 /nfs/dbraw/zinc/86/54/25/832865425.db2.gz URARYCUFVBVDNE-ZDUSSCGKSA-N 2 0 308.426 -0.296 20 30 DBEDRP N#CCCN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160483165 832908982 /nfs/dbraw/zinc/90/89/82/832908982.db2.gz PPYFAKVLWSGPSH-AWEZNQCLSA-N 2 0 305.426 -0.082 20 30 DBEDRP N#Cc1ccc(N2CCCN(C(=O)C[NH2+]CCC[NH3+])CC2)nc1 ZINC001160602314 832924443 /nfs/dbraw/zinc/92/44/43/832924443.db2.gz FCWNMDWVRZGRKP-UHFFFAOYSA-N 2 0 316.409 -0.070 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CC(=O)NC)CC1 ZINC001273591125 832941646 /nfs/dbraw/zinc/94/16/46/832941646.db2.gz FPPWIVQUJZSGSU-UHFFFAOYSA-N 2 0 322.453 -0.142 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867934 832955455 /nfs/dbraw/zinc/95/54/55/832955455.db2.gz IZYXYKMZYNNOLR-CABCVRRESA-N 2 0 320.437 -0.151 20 30 DBEDRP C=CCN1CC[C@]2(CC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273836080 832971202 /nfs/dbraw/zinc/97/12/02/832971202.db2.gz NDYGVOOAGJNXIR-KRWDZBQOSA-N 2 0 320.437 -0.129 20 30 DBEDRP CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161064319 832971349 /nfs/dbraw/zinc/97/13/49/832971349.db2.gz PIBVMLWRKZGSQU-NOOOWODRSA-N 2 0 319.427 -0.579 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331420 833463278 /nfs/dbraw/zinc/46/32/78/833463278.db2.gz JAEBCPGJZKJLRX-UHFFFAOYSA-N 2 0 323.441 -0.012 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303556 833543094 /nfs/dbraw/zinc/54/30/94/833543094.db2.gz HNULUBKAYCGQEM-ZQDZILKHSA-N 2 0 320.437 -0.203 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179421639 833546321 /nfs/dbraw/zinc/54/63/21/833546321.db2.gz XVFGWQIJJMQMIX-STQMWFEESA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179764251 833557705 /nfs/dbraw/zinc/55/77/05/833557705.db2.gz WAVHTUPGJNFGDW-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180132007 833570744 /nfs/dbraw/zinc/57/07/44/833570744.db2.gz RMSDHSKIOLLJHI-KBPBESRZSA-N 2 0 306.410 -0.589 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001182472962 833678579 /nfs/dbraw/zinc/67/85/79/833678579.db2.gz MGUYEGCLTTXWLA-KGLIPLIRSA-N 2 0 321.425 -0.311 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650566 833803178 /nfs/dbraw/zinc/80/31/78/833803178.db2.gz JDMUZXGHOCPZHD-ZIAGYGMSSA-N 2 0 306.410 -0.589 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127552 833905349 /nfs/dbraw/zinc/90/53/49/833905349.db2.gz XUVXIPNUHNZPMD-UONOGXRCSA-N 2 0 320.437 -0.037 20 30 DBEDRP C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001276976510 833915877 /nfs/dbraw/zinc/91/58/77/833915877.db2.gz CFSFVHBMEBXNJH-KBPBESRZSA-N 2 0 308.426 -0.345 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001277087233 833925370 /nfs/dbraw/zinc/92/53/70/833925370.db2.gz BRYUYQREJNYUNI-MGPQQGTHSA-N 2 0 306.410 -0.828 20 30 DBEDRP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277356240 833948445 /nfs/dbraw/zinc/94/84/45/833948445.db2.gz QUVCZSVUGCQKBL-CHWSQXEVSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842909 833952710 /nfs/dbraw/zinc/95/27/10/833952710.db2.gz RTPPAGTXRIQRCE-ZIAGYGMSSA-N 2 0 306.410 -0.589 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001277785882 833991424 /nfs/dbraw/zinc/99/14/24/833991424.db2.gz PQHBERVOSPQTOL-GJZGRUSLSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001277872565 833999619 /nfs/dbraw/zinc/99/96/19/833999619.db2.gz PPOCKWGFBDYLTH-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046281 834321448 /nfs/dbraw/zinc/32/14/48/834321448.db2.gz MGUAHGQPJJWJIG-HUUCEWRRSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192960046 834446795 /nfs/dbraw/zinc/44/67/95/834446795.db2.gz MFUJQORXOBDIDY-CQSZACIVSA-N 2 0 308.426 -0.390 20 30 DBEDRP C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192960045 834447613 /nfs/dbraw/zinc/44/76/13/834447613.db2.gz MFUJQORXOBDIDY-AWEZNQCLSA-N 2 0 308.426 -0.390 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280248 834479660 /nfs/dbraw/zinc/47/96/60/834479660.db2.gz VJBWZXFKRLATNP-GJZGRUSLSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280250 834480298 /nfs/dbraw/zinc/48/02/98/834480298.db2.gz VJBWZXFKRLATNP-HUUCEWRRSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041219 834561124 /nfs/dbraw/zinc/56/11/24/834561124.db2.gz VTNAUYBXUFOCAQ-CABCVRRESA-N 2 0 320.437 -0.247 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041220 834562185 /nfs/dbraw/zinc/56/21/85/834562185.db2.gz VTNAUYBXUFOCAQ-GJZGRUSLSA-N 2 0 320.437 -0.247 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293684 834587512 /nfs/dbraw/zinc/58/75/12/834587512.db2.gz ILBOKCQLLKIWIT-HUUCEWRRSA-N 2 0 322.453 -0.003 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293688 834588291 /nfs/dbraw/zinc/58/82/91/834588291.db2.gz ILBOKCQLLKIWIT-LSDHHAIUSA-N 2 0 322.453 -0.003 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306436 834777593 /nfs/dbraw/zinc/77/75/93/834777593.db2.gz BVGOZDZRGHWJOJ-BZUAXINKSA-N 2 0 323.437 -0.328 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)CC1 ZINC001263851740 834991107 /nfs/dbraw/zinc/99/11/07/834991107.db2.gz UAKUWLDFQUNSDD-OTVXOJSOSA-N 2 0 320.437 -0.438 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263933446 834997271 /nfs/dbraw/zinc/99/72/71/834997271.db2.gz ZEYPEGCDYDRUKF-UONOGXRCSA-N 2 0 323.441 -0.159 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264455178 835032904 /nfs/dbraw/zinc/03/29/04/835032904.db2.gz ZCPMLENWRQQJCB-BFHYXJOUSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265451664 835143053 /nfs/dbraw/zinc/14/30/53/835143053.db2.gz XYWPGGHFTPCDCV-HNNXBMFYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001265460000 835144382 /nfs/dbraw/zinc/14/43/82/835144382.db2.gz VHPDYJVWJVZFPG-JKSUJKDBSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265492294 835147226 /nfs/dbraw/zinc/14/72/26/835147226.db2.gz NNFGWVXHFLXSJD-MGPQQGTHSA-N 2 0 308.426 -0.297 20 30 DBEDRP 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TXKQEIDCRBAUGD-CHWSQXEVSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756128 978793279 /nfs/dbraw/zinc/79/32/79/978793279.db2.gz TVWINWYIOSWGCB-ZIAGYGMSSA-N 2 0 306.410 -0.732 20 30 DBEDRP N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)nc1C#N ZINC001218594481 978835893 /nfs/dbraw/zinc/83/58/93/978835893.db2.gz FFCHRJOGBLSKKQ-JTQLQIEISA-N 2 0 300.326 -0.932 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOCC)C[C@@H]1O ZINC001219821162 979023577 /nfs/dbraw/zinc/02/35/77/979023577.db2.gz CNXQFPCQHYIWOZ-PMPSAXMXSA-N 2 0 323.437 -0.328 20 30 DBEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219836807 979028279 /nfs/dbraw/zinc/02/82/79/979028279.db2.gz FIHYTZWFEVJGKZ-VNQPRFMTSA-N 2 0 309.410 -0.194 20 30 DBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846807 979030907 /nfs/dbraw/zinc/03/09/07/979030907.db2.gz FHFLPSVUVWTFKT-ILXRZTDVSA-N 2 0 313.442 -0.064 20 30 DBEDRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220345374 979177630 /nfs/dbraw/zinc/17/76/30/979177630.db2.gz HRMVOYADRRHUEA-PWTMJPFMSA-N 2 0 308.304 -0.502 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429400 979198229 /nfs/dbraw/zinc/19/82/29/979198229.db2.gz QTTWSYYJLBGBTC-GJZGRUSLSA-N 2 0 302.378 -0.077 20 30 DBEDRP N#CC1(NC(=O)[C@@H](N)C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220643814 979251586 /nfs/dbraw/zinc/25/15/86/979251586.db2.gz UPAFHOOPPKHZEI-AWEZNQCLSA-N 2 0 301.394 -0.053 20 30 DBEDRP NC(=O)c1ccc(C(N)=NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001220643374 979252335 /nfs/dbraw/zinc/25/23/35/979252335.db2.gz CJQGZGKUDGQUGB-LBPRGKRZSA-N 2 0 305.382 -0.136 20 30 DBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220868446 979311397 /nfs/dbraw/zinc/31/13/97/979311397.db2.gz JYCRLOHSRCNFAE-LSDHHAIUSA-N 2 0 309.458 -0.497 20 30 DBEDRP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OC ZINC001221381911 979411840 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C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001491334528 1015360122 /nfs/dbraw/zinc/36/01/22/1015360122.db2.gz KASJUZOYQYKPRC-SEBNEYGDSA-N 2 0 320.437 -0.325 20 30 DBEDRP COCC#CC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001491625306 1015526288 /nfs/dbraw/zinc/52/62/88/1015526288.db2.gz LIDNGXXPPPEFPC-CQSZACIVSA-N 2 0 311.426 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491833620 1015644170 /nfs/dbraw/zinc/64/41/70/1015644170.db2.gz QFROOBNJIBRIBU-GDBMZVCRSA-N 2 0 322.453 -0.240 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492078004 1015709866 /nfs/dbraw/zinc/70/98/66/1015709866.db2.gz NBTBXZIWDOECLO-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP CC(C)[C@@H](C(=O)NC[C@H]1CCCN1CC(=O)NCC#N)[NH+](C)C ZINC001493108386 1015850664 /nfs/dbraw/zinc/85/06/64/1015850664.db2.gz AWGIIUNYBXAJEF-HIFRSBDPSA-N 2 0 323.441 -0.207 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493186779 1015864958 /nfs/dbraw/zinc/86/49/58/1015864958.db2.gz ZQTUWUFFISIXIW-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001493748283 1016053964 /nfs/dbraw/zinc/05/39/64/1016053964.db2.gz MEDLPIDECQZPGT-UHFFFAOYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496361229 1016897137 /nfs/dbraw/zinc/89/71/37/1016897137.db2.gz JGGDQHCYOJBUCW-KGLIPLIRSA-N 2 0 308.426 -0.486 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445648566 1008413566 /nfs/dbraw/zinc/41/35/66/1008413566.db2.gz NLAMCVSGRSASAM-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[NH+](C)CC#CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001469644538 1009679234 /nfs/dbraw/zinc/67/92/34/1009679234.db2.gz JWBPFXVWKZDJSA-UHFFFAOYSA-N 2 0 309.458 -0.123 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001479303046 1010243749 /nfs/dbraw/zinc/24/37/49/1010243749.db2.gz UREXBRUIRKGKMM-QLFBSQMISA-N 2 0 320.437 -0.296 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001480083639 1010526417 /nfs/dbraw/zinc/52/64/17/1010526417.db2.gz GKWFPMFHMHNRQJ-CQSZACIVSA-N 2 0 323.441 -0.252 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480117558 1010539357 /nfs/dbraw/zinc/53/93/57/1010539357.db2.gz NJMGBMUFJUUTCR-RDBSUJKOSA-N 2 0 308.426 -0.345 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480153164 1010559231 /nfs/dbraw/zinc/55/92/31/1010559231.db2.gz IDNCULMUOOGTBF-AAVRWANBSA-N 2 0 306.410 -0.545 20 30 DBEDRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001480220663 1010579362 /nfs/dbraw/zinc/57/93/62/1010579362.db2.gz NHWGTGMVBSNOLS-TXEJJXNPSA-N 2 0 307.398 -0.795 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480680678 1010737874 /nfs/dbraw/zinc/73/78/74/1010737874.db2.gz WRVPPQVZHWBNRI-CYBMUJFWSA-N 2 0 307.398 -0.840 20 30 DBEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481251448 1010875085 /nfs/dbraw/zinc/87/50/85/1010875085.db2.gz AQUQBFLRPHCTGS-AWEZNQCLSA-N 2 0 323.441 -0.205 20 30 DBEDRP CCN1CCO[C@H](C(=O)NCC2CN(CC#CCOC)C2)C1 ZINC001481660623 1010954736 /nfs/dbraw/zinc/95/47/36/1010954736.db2.gz GJKRRIORXNLJJG-HNNXBMFYSA-N 2 0 309.410 -0.595 20 30 DBEDRP CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1)[NH+](C)C ZINC001481903243 1011024498 /nfs/dbraw/zinc/02/44/98/1011024498.db2.gz AHFDSMDGPZGUQJ-ZDUSSCGKSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482317848 1011116647 /nfs/dbraw/zinc/11/66/47/1011116647.db2.gz CTQPLRWBUSLPQD-STQMWFEESA-N 2 0 309.414 -0.453 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353992 1011125936 /nfs/dbraw/zinc/12/59/36/1011125936.db2.gz MVINSMWKTUPYBT-QWHCGFSZSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354860 1011128179 /nfs/dbraw/zinc/12/81/79/1011128179.db2.gz UWKRABBMSVRXCD-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001482549879 1011175855 /nfs/dbraw/zinc/17/58/55/1011175855.db2.gz ADQZRFNVEBYZLU-AWEZNQCLSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001482684847 1011263319 /nfs/dbraw/zinc/26/33/19/1011263319.db2.gz DACGMRZGBVPWKV-UONOGXRCSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482962798 1011561836 /nfs/dbraw/zinc/56/18/36/1011561836.db2.gz BHNTWIMCIJYZAM-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483081598 1011668923 /nfs/dbraw/zinc/66/89/23/1011668923.db2.gz APLZXEMLERIERF-NNTXTVRGSA-N 2 0 306.410 -0.660 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483096506 1011685649 /nfs/dbraw/zinc/68/56/49/1011685649.db2.gz CDGFXSSLCFMPCZ-NNTXTVRGSA-N 2 0 321.425 -0.237 20 30 DBEDRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483272449 1011822886 /nfs/dbraw/zinc/82/28/86/1011822886.db2.gz YAKIQGOKLQCODN-UONOGXRCSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483466803 1011883395 /nfs/dbraw/zinc/88/33/95/1011883395.db2.gz PZWPJVLHQVLXQP-RRFJBIMHSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCC[NH+](C)C ZINC001483909225 1012201921 /nfs/dbraw/zinc/20/19/21/1012201921.db2.gz QUPOHUIICNZXNF-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001483952370 1012226610 /nfs/dbraw/zinc/22/66/10/1012226610.db2.gz VPZVEKQAHNOATA-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484927140 1012896672 /nfs/dbraw/zinc/89/66/72/1012896672.db2.gz IZCIQNZOTRSWFT-CQSZACIVSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001485096279 1012994776 /nfs/dbraw/zinc/99/47/76/1012994776.db2.gz VKLXNTLHHCPYFD-JXQTWKCFSA-N 2 0 308.426 -0.440 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496991718 1017174904 /nfs/dbraw/zinc/17/49/04/1017174904.db2.gz MOQJRJQPYQKHFH-GJZGRUSLSA-N 2 0 311.426 -0.423 20 30 DBEDRP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001497046335 1017220605 /nfs/dbraw/zinc/22/06/05/1017220605.db2.gz JALIWWSFJJZPDQ-SNVBAGLBSA-N 2 0 308.220 -0.087 20 30 DBEDRP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC1 ZINC001497690931 1017469672 /nfs/dbraw/zinc/46/96/72/1017469672.db2.gz IZWOTKNMLOADAL-IHWYPQMZSA-N 2 0 321.425 -0.380 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001498568862 1017830299 /nfs/dbraw/zinc/83/02/99/1017830299.db2.gz AZEHWISJVJMPHJ-UHFFFAOYSA-N 2 0 320.437 -0.198 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC(=O)N(C)C)CC1 ZINC001498656872 1017845237 /nfs/dbraw/zinc/84/52/37/1017845237.db2.gz CMOOFZYQJLMQAU-UHFFFAOYSA-N 2 0 322.453 -0.142 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001498657445 1017845522 /nfs/dbraw/zinc/84/55/22/1017845522.db2.gz JJDXEBIMJLWTAP-HNNXBMFYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+][C@H](C)C(=O)NC)CC2)CC1 ZINC001499458629 1018110902 /nfs/dbraw/zinc/11/09/02/1018110902.db2.gz JRNUPZHOTPSZCL-CYBMUJFWSA-N 2 0 320.437 -0.296 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001499942012 1018217158 /nfs/dbraw/zinc/21/71/58/1018217158.db2.gz PSAPAWBEYZYBBD-CQSZACIVSA-N 2 0 320.437 -0.035 20 30 DBEDRP C=CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500706631 1018420270 /nfs/dbraw/zinc/42/02/70/1018420270.db2.gz KGDYURCDOZTOJZ-GDBMZVCRSA-N 2 0 311.426 -0.164 20 30 DBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001502086305 1018986115 /nfs/dbraw/zinc/98/61/15/1018986115.db2.gz BZYBKCZHPURCFB-CVEARBPZSA-N 2 0 323.437 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C[C@@]1(C(N)=O)CC[N@H+](CC#CC[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000284908499 335015190 /nfs/dbraw/zinc/01/51/90/335015190.db2.gz VEXCMCUMWNGGNL-IYBDPMFKSA-N 2 0 306.410 -0.616 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cnn(C)c1 ZINC000178510160 375510676 /nfs/dbraw/zinc/51/06/76/375510676.db2.gz AGTXQVGJGNYURQ-CQSZACIVSA-N 2 0 305.430 -0.573 20 30 DBEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179018681 375516591 /nfs/dbraw/zinc/51/65/91/375516591.db2.gz JWULTCOBIUERFI-CYBMUJFWSA-N 2 0 306.414 -0.044 20 30 DBEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C3(O)C[NH2+]C3)CC2)c1 ZINC000595959780 376051856 /nfs/dbraw/zinc/05/18/56/376051856.db2.gz QRGILHLOSBTDFS-UHFFFAOYSA-N 2 0 314.389 -0.027 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627386106 382621071 /nfs/dbraw/zinc/62/10/71/382621071.db2.gz FYFSDBHRCMJEIS-UHFFFAOYSA-N 2 0 312.414 -0.895 20 30 DBEDRP C#CCNC(=O)CC[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000491415071 393813063 /nfs/dbraw/zinc/81/30/63/393813063.db2.gz GCGSXXADVUBZBL-UHFFFAOYSA-N 2 0 322.453 -0.488 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659703534 412110116 /nfs/dbraw/zinc/11/01/16/412110116.db2.gz DWEXERQLOMXTSC-CHWSQXEVSA-N 2 0 312.389 -0.349 20 30 DBEDRP C=CCNC(=O)NC(=O)CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582487575 337097831 /nfs/dbraw/zinc/09/78/31/337097831.db2.gz GCPVDTWVBZPKRK-LBPRGKRZSA-N 2 0 310.398 -0.315 20 30 DBEDRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)CN1CC[NH+](C)CC1 ZINC000520798441 337515852 /nfs/dbraw/zinc/51/58/52/337515852.db2.gz VXKBYIFZYKUGAL-JKSUJKDBSA-N 2 0 311.474 -0.334 20 30 DBEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000567694247 341628039 /nfs/dbraw/zinc/62/80/39/341628039.db2.gz MHEMCYWLWHSALK-INIZCTEOSA-N 2 0 311.474 -0.192 20 30 DBEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553204 665542995 /nfs/dbraw/zinc/54/29/95/665542995.db2.gz GVTDWMXLFOAFDV-UAEIHBMGSA-N 2 0 315.417 -0.223 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981542638 665856683 /nfs/dbraw/zinc/85/66/83/665856683.db2.gz VJNAZOZIGPYIKW-CABCVRRESA-N 2 0 320.437 -0.166 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](CC)C(N)=O)C2)CC1 ZINC001021090298 663945851 /nfs/dbraw/zinc/94/58/51/663945851.db2.gz SGLZDZXJUCQXEL-RBSFLKMASA-N 2 0 320.437 -0.168 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001021092326 663946418 /nfs/dbraw/zinc/94/64/18/663946418.db2.gz KMGCASJSIUSTIZ-KKUMJFAQSA-N 2 0 318.421 -0.543 20 30 DBEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798649 665088165 /nfs/dbraw/zinc/08/81/65/665088165.db2.gz CIOJZSUTOUMMRO-AALSBFMBSA-N 2 0 303.406 -0.081 20 30 DBEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798855 665088825 /nfs/dbraw/zinc/08/88/25/665088825.db2.gz LJWSKMZEIHHHIL-OWYFMNJBSA-N 2 0 303.406 -0.081 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911235835 674692942 /nfs/dbraw/zinc/69/29/42/674692942.db2.gz IVFCWLHTTQDLCT-MQMHXKEQSA-N 2 0 308.426 -0.003 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911236030 674693153 /nfs/dbraw/zinc/69/31/53/674693153.db2.gz LIXIUXPJJWFGPM-CYBMUJFWSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C#N)C1)[NH+](C)C ZINC000912534942 674774556 /nfs/dbraw/zinc/77/45/56/674774556.db2.gz HUQRWCXQMSOALC-JHJVBQTASA-N 2 0 309.414 -0.550 20 30 DBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000170910117 674908107 /nfs/dbraw/zinc/90/81/07/674908107.db2.gz APSIGGDMVMYVQH-CYBMUJFWSA-N 2 0 311.430 -0.376 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC[C@@H](CC(N)=O)C1 ZINC000261717316 670800629 /nfs/dbraw/zinc/80/06/29/670800629.db2.gz HZJQJIBXHHTXET-UONOGXRCSA-N 2 0 322.457 -0.851 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001029003044 671151786 /nfs/dbraw/zinc/15/17/86/671151786.db2.gz HHTLNMKODCXWFP-CYBMUJFWSA-N 2 0 306.410 -0.745 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001029001880 671152265 /nfs/dbraw/zinc/15/22/65/671152265.db2.gz FEPBSAQGQNYPTO-AWEZNQCLSA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001029003045 671152823 /nfs/dbraw/zinc/15/28/23/671152823.db2.gz HHTLNMKODCXWFP-ZDUSSCGKSA-N 2 0 306.410 -0.745 20 30 DBEDRP C[NH+]=C(NCCN1C(=O)CNC1=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261977909 671161692 /nfs/dbraw/zinc/16/16/92/671161692.db2.gz ODPANZYKOSWMEF-ZYHUDNBSSA-N 2 0 322.413 -0.814 20 30 DBEDRP C#CC[NH+](C)CCCNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000895056473 671277696 /nfs/dbraw/zinc/27/76/96/671277696.db2.gz LTIIBOIFTYETGQ-UHFFFAOYSA-N 2 0 309.458 -0.170 20 30 DBEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000928655484 671457276 /nfs/dbraw/zinc/45/72/76/671457276.db2.gz RNRINLJLZNLLBX-CQSZACIVSA-N 2 0 320.437 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IBGMBXXWJYJJJN-CRWXNKLISA-N 2 0 308.426 -0.134 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001317272847 806120861 /nfs/dbraw/zinc/12/08/61/806120861.db2.gz VFYFDLVVZJAENK-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001317294980 806126115 /nfs/dbraw/zinc/12/61/15/806126115.db2.gz SQSLVYVWZDOXJH-UKRRQHHQSA-N 2 0 320.437 -0.343 20 30 DBEDRP COCC#CC[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001317445764 806150222 /nfs/dbraw/zinc/15/02/22/806150222.db2.gz IMHNZBDDUXUXLP-UHFFFAOYSA-N 2 0 321.425 -0.244 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnnn2C)CC1 ZINC001317670421 806224050 /nfs/dbraw/zinc/22/40/50/806224050.db2.gz RTKCEMVAHDJKBN-UHFFFAOYSA-N 2 0 318.425 -0.292 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319189129 806351525 /nfs/dbraw/zinc/35/15/25/806351525.db2.gz MBKZZROOHSNJFY-DZGCQCFKSA-N 2 0 322.453 -0.028 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320415797 806487922 /nfs/dbraw/zinc/48/79/22/806487922.db2.gz SCBZJTPJPGAUQC-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320415800 806487968 /nfs/dbraw/zinc/48/79/68/806487968.db2.gz SCBZJTPJPGAUQC-ZFWWWQNUSA-N 2 0 320.437 -0.438 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000867979845 806533388 /nfs/dbraw/zinc/53/33/88/806533388.db2.gz OTEHHMDJJHYSSJ-UKRRQHHQSA-N 2 0 300.362 -0.150 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001321461064 806627762 /nfs/dbraw/zinc/62/77/62/806627762.db2.gz HNYVNEXILWTLAO-UHFFFAOYSA-N 2 0 304.438 -0.210 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321552215 806639236 /nfs/dbraw/zinc/63/92/36/806639236.db2.gz URQYHIXSBYKKQL-MCIONIFRSA-N 2 0 310.442 -0.195 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321608589 806646855 /nfs/dbraw/zinc/64/68/55/806646855.db2.gz DBJIQPVTDSJNLC-GFCCVEGCSA-N 2 0 309.414 -0.405 20 30 DBEDRP OCC1([NH2+]CC#CC[NH2+]C2(CO)CCOCC2)CCOCC1 ZINC001321742550 806664991 /nfs/dbraw/zinc/66/49/91/806664991.db2.gz GFPJLHOYNHVOAS-UHFFFAOYSA-N 2 0 312.410 -0.748 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001321746782 806666134 /nfs/dbraw/zinc/66/61/34/806666134.db2.gz PICOWHDMLOTBTM-HUUCEWRRSA-N 2 0 311.426 -0.301 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001321757196 806667278 /nfs/dbraw/zinc/66/72/78/806667278.db2.gz XUWSHSLTOCERIH-TZMCWYRMSA-N 2 0 308.426 -0.310 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323109896 806825677 /nfs/dbraw/zinc/82/56/77/806825677.db2.gz USWFDVDWSJUPNG-UONOGXRCSA-N 2 0 308.426 -0.275 20 30 DBEDRP CC1CC[NH+](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001323580336 806891001 /nfs/dbraw/zinc/89/10/01/806891001.db2.gz SBPNVGIUXGUQFH-UHFFFAOYSA-N 2 0 321.425 -0.404 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001324097173 806943750 /nfs/dbraw/zinc/94/37/50/806943750.db2.gz HZQWOWZBRPTIRD-KBPBESRZSA-N 2 0 323.441 -0.065 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001324097176 806943836 /nfs/dbraw/zinc/94/38/36/806943836.db2.gz HZQWOWZBRPTIRD-ZIAGYGMSSA-N 2 0 323.441 -0.065 20 30 DBEDRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001324174725 806949665 /nfs/dbraw/zinc/94/96/65/806949665.db2.gz IKNPBZQMYMSLQD-CQSZACIVSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001277995896 803740095 /nfs/dbraw/zinc/74/00/95/803740095.db2.gz XXNMBUYXTXRVAW-ZFWWWQNUSA-N 2 0 310.442 -0.242 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H](C)C(N)=O)CC1 ZINC001278006187 803740396 /nfs/dbraw/zinc/74/03/96/803740396.db2.gz QQGBIMSGGAYWHL-HIFRSBDPSA-N 2 0 320.437 -0.214 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278423992 803791299 /nfs/dbraw/zinc/79/12/99/803791299.db2.gz MYCQNZPSVPSMAV-QWHCGFSZSA-N 2 0 309.414 -0.455 20 30 DBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000104172542 803804108 /nfs/dbraw/zinc/80/41/08/803804108.db2.gz MPYITRQLSYDQOW-CQSZACIVSA-N 2 0 309.458 -0.032 20 30 DBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001278774170 803822896 /nfs/dbraw/zinc/82/28/96/803822896.db2.gz SIHKLVNYDBOHNZ-CQSZACIVSA-N 2 0 311.426 -0.613 20 30 DBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278780994 803823840 /nfs/dbraw/zinc/82/38/40/803823840.db2.gz AWLRTDRFNAMIFP-NVXWUHKLSA-N 2 0 305.422 -0.096 20 30 DBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278780995 803824411 /nfs/dbraw/zinc/82/44/11/803824411.db2.gz AWLRTDRFNAMIFP-RDJZCZTQSA-N 2 0 305.422 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001279193035 803874552 /nfs/dbraw/zinc/87/45/52/803874552.db2.gz IEXSNKAFAAOCFM-LSDHHAIUSA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001280449011 803959875 /nfs/dbraw/zinc/95/98/75/803959875.db2.gz FTVKBJZUADIJMP-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280668370 804002389 /nfs/dbraw/zinc/00/23/89/804002389.db2.gz LVWGMOMIDSGGSA-HNNXBMFYSA-N 2 0 309.410 -0.451 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001280884321 804032877 /nfs/dbraw/zinc/03/28/77/804032877.db2.gz ZFIDLWZIMICGAJ-LSDHHAIUSA-N 2 0 322.453 -0.144 20 30 DBEDRP C#CC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCOCC1 ZINC001281280152 804147038 /nfs/dbraw/zinc/14/70/38/804147038.db2.gz LMSUFFAPJACYKL-UHFFFAOYSA-N 2 0 323.437 -0.015 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001283101939 804414837 /nfs/dbraw/zinc/41/48/37/804414837.db2.gz DJBSKXGYITZAEM-XQLPTFJDSA-N 2 0 320.437 -0.440 20 30 DBEDRP C[C@H]1CNC(NN=C2CC[NH+](CCN3CCOCC3)CC2)=[NH+]1 ZINC000779800439 804507955 /nfs/dbraw/zinc/50/79/55/804507955.db2.gz ZNZBAJQFCDKQDU-ZDUSSCGKSA-N 2 0 308.430 -0.292 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284415828 804700854 /nfs/dbraw/zinc/70/08/54/804700854.db2.gz FBVXIMJOEBHSCA-RBSFLKMASA-N 2 0 311.426 -0.615 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001324885936 807013867 /nfs/dbraw/zinc/01/38/67/807013867.db2.gz DCDHASQQKRSXCA-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000884413547 807048855 /nfs/dbraw/zinc/04/88/55/807048855.db2.gz WGIQQFVBEJGCRX-KRIMKBQASA-N 2 0 317.437 -0.368 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC#CCOC)C1 ZINC001327065870 807239315 /nfs/dbraw/zinc/23/93/15/807239315.db2.gz UUZHVUYNSHQDAO-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327188226 807247178 /nfs/dbraw/zinc/24/71/78/807247178.db2.gz IUTJGTKNXIKDNV-AWEZNQCLSA-N 2 0 308.426 -0.390 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001328605365 807447519 /nfs/dbraw/zinc/44/75/19/807447519.db2.gz QYAFRLRZPMPVKP-HOTGVXAUSA-N 2 0 323.437 -0.063 20 30 DBEDRP CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001329279578 807546361 /nfs/dbraw/zinc/54/63/61/807546361.db2.gz YLAMQVHDGMQHFQ-ZDUSSCGKSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CN(CC(=O)NCC#N)C1 ZINC001329996609 807655796 /nfs/dbraw/zinc/65/57/96/807655796.db2.gz DQWCHJOZGGXOLP-OUCADQQQSA-N 2 0 321.425 -0.597 20 30 DBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001331843516 807842688 /nfs/dbraw/zinc/84/26/88/807842688.db2.gz WROQKVWMDVGWAA-HNNXBMFYSA-N 2 0 311.426 -0.421 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001332300617 807896256 /nfs/dbraw/zinc/89/62/56/807896256.db2.gz GKIRMVLBGOWPGS-KGLIPLIRSA-N 2 0 308.426 -0.438 20 30 DBEDRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001333116335 808017875 /nfs/dbraw/zinc/01/78/75/808017875.db2.gz PXYFVIQHVMBNDR-UHFFFAOYSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC=C)C[C@H]2O)CC1 ZINC000958723698 810011879 /nfs/dbraw/zinc/01/18/79/810011879.db2.gz IXGCXNLDQASRCV-JKSUJKDBSA-N 2 0 305.422 -0.074 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)[C@H](O)C1 ZINC000958723908 810012846 /nfs/dbraw/zinc/01/28/46/810012846.db2.gz KJECISJKJPXNJG-IAGOWNOFSA-N 2 0 317.433 -0.236 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)CC1 ZINC001034795463 814725629 /nfs/dbraw/zinc/72/56/29/814725629.db2.gz GYQDWSLIHNBXSM-SHTZXODSSA-N 2 0 320.437 -0.166 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C[C@H]2C)CC1 ZINC001044871799 816513308 /nfs/dbraw/zinc/51/33/08/816513308.db2.gz LXSQDNHDNITSSU-HIFRSBDPSA-N 2 0 320.437 -0.214 20 30 DBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097487 820394464 /nfs/dbraw/zinc/39/44/64/820394464.db2.gz VSWMAUDERKGVEH-ZNMIVQPWSA-N 2 0 316.409 -0.405 20 30 DBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097486 820396121 /nfs/dbraw/zinc/39/61/21/820396121.db2.gz VSWMAUDERKGVEH-KFWWJZLASA-N 2 0 316.409 -0.405 20 30 DBEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326873 820444915 /nfs/dbraw/zinc/44/49/15/820444915.db2.gz GZIMRJSVSOVJLS-MCIONIFRSA-N 2 0 304.398 -0.243 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070327948 820446813 /nfs/dbraw/zinc/44/68/13/820446813.db2.gz LASWJYKPBAIJDX-KGLIPLIRSA-N 2 0 302.382 -0.651 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563400 820498759 /nfs/dbraw/zinc/49/87/59/820498759.db2.gz BKJCZDMOQXPSOZ-IJEWVQPXSA-N 2 0 315.421 -0.111 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)COC)C[C@H]2O)CC1 ZINC001078227246 823747354 /nfs/dbraw/zinc/74/73/54/823747354.db2.gz PWPKHZUHBGKOMS-NUEKZKHPSA-N 2 0 323.437 -0.472 20 30 DBEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778119 828741487 /nfs/dbraw/zinc/74/14/87/828741487.db2.gz FPPOAVYKZBBXLN-CTASWTNQSA-N 2 0 320.437 -0.229 20 30 DBEDRP CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161338584 833007384 /nfs/dbraw/zinc/00/73/84/833007384.db2.gz FTZZIBHZEWIVTN-UTUOFQBUSA-N 2 0 319.427 -0.706 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)c1 ZINC001161501145 833028476 /nfs/dbraw/zinc/02/84/76/833028476.db2.gz TXCUUBUDLMBDSI-UONOGXRCSA-N 2 0 300.362 -0.386 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161796033 833056369 /nfs/dbraw/zinc/05/63/69/833056369.db2.gz XURUSRGBDIAIRQ-AWEZNQCLSA-N 2 0 320.437 -0.151 20 30 DBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001274610209 833109462 /nfs/dbraw/zinc/10/94/62/833109462.db2.gz MTBNKPYFRDLHFY-LSMGEYOZSA-N 2 0 321.425 -0.239 20 30 DBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001274610205 833109574 /nfs/dbraw/zinc/10/95/74/833109574.db2.gz MTBNKPYFRDLHFY-JHZNUDOXSA-N 2 0 321.425 -0.239 20 30 DBEDRP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274616888 833111327 /nfs/dbraw/zinc/11/13/27/833111327.db2.gz QVZJJQHQLFXLQJ-JKSUJKDBSA-N 2 0 311.426 -0.212 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100447253 826966745 /nfs/dbraw/zinc/96/67/45/826966745.db2.gz UREXBRUIRKGKMM-YMAMQOFZSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100459906 826968952 /nfs/dbraw/zinc/96/89/52/826968952.db2.gz DUGDVUCGLASBPO-UHFFFAOYSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001100635966 826995611 /nfs/dbraw/zinc/99/56/11/826995611.db2.gz PVPZCSISOUZQDS-UHFFFAOYSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647081 826996760 /nfs/dbraw/zinc/99/67/60/826996760.db2.gz BQKSADKEVAHLDW-ZBCRRDGASA-N 2 0 322.453 -0.194 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100770921 827020988 /nfs/dbraw/zinc/02/09/88/827020988.db2.gz QBGJPWDPKGCMPQ-NFOMZHRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100873113 827040485 /nfs/dbraw/zinc/04/04/85/827040485.db2.gz VCAHJNYNNIXEND-HSBZDZAISA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224110 833139698 /nfs/dbraw/zinc/13/96/98/833139698.db2.gz SGCLUFSQGMUKLG-INIZCTEOSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984977 827058169 /nfs/dbraw/zinc/05/81/69/827058169.db2.gz WSEFRKVFWQPGTA-UHFFFAOYSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815707 827150793 /nfs/dbraw/zinc/15/07/93/827150793.db2.gz PONUAVGUMLVNHW-KFWWJZLASA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1CC#C ZINC001275184456 833156457 /nfs/dbraw/zinc/15/64/57/833156457.db2.gz BKZPHJGLXMUMRP-KKUMJFAQSA-N 2 0 318.421 -0.684 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001275180460 833156633 /nfs/dbraw/zinc/15/66/33/833156633.db2.gz YBKGPLHBTJPACF-RYUDHWBXSA-N 2 0 305.382 -0.426 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579579 827228823 /nfs/dbraw/zinc/22/88/23/827228823.db2.gz FMOMPHIDXFMQQJ-HUUCEWRRSA-N 2 0 320.437 -0.484 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+]1CCCCC1 ZINC001275460081 833180995 /nfs/dbraw/zinc/18/09/95/833180995.db2.gz ZFCHUKORHVYEOS-ZDUSSCGKSA-N 2 0 309.414 -0.404 20 30 DBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372366 827440776 /nfs/dbraw/zinc/44/07/76/827440776.db2.gz BTRLOYSFXDQWFI-CYBMUJFWSA-N 2 0 316.409 -0.274 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164449025 833211009 /nfs/dbraw/zinc/21/10/09/833211009.db2.gz AUOUMFKAGNESFF-OAHLLOKOSA-N 2 0 322.453 -0.046 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577792 833221465 /nfs/dbraw/zinc/22/14/65/833221465.db2.gz SKSVTUZAUKTZBC-KKUMJFAQSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623673 827666315 /nfs/dbraw/zinc/66/63/15/827666315.db2.gz YVYVCPJNDPYXBY-RBSFLKMASA-N 2 0 322.453 -0.240 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106982293 827690534 /nfs/dbraw/zinc/69/05/34/827690534.db2.gz HVNQEKZMIVSUJQ-HZSPNIEDSA-N 2 0 321.425 -0.738 20 30 DBEDRP COC(=O)[C@H]1C[NH2+]CCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001165436924 833245138 /nfs/dbraw/zinc/24/51/38/833245138.db2.gz MQXRWGKSZXQGFD-CQSZACIVSA-N 2 0 315.377 -0.060 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776493 833258874 /nfs/dbraw/zinc/25/88/74/833258874.db2.gz JITJTVWIAJITTN-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677775 833277840 /nfs/dbraw/zinc/27/78/40/833277840.db2.gz MWFXIAKJIGLPBM-KBPBESRZSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971433 833288231 /nfs/dbraw/zinc/28/82/31/833288231.db2.gz NATLBPGVXQGUDG-UHFFFAOYSA-N 2 0 308.426 -0.436 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168137521 833318296 /nfs/dbraw/zinc/31/82/96/833318296.db2.gz OOQCMEQKGJYYOW-AWEZNQCLSA-N 2 0 320.437 -0.436 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320630 833322659 /nfs/dbraw/zinc/32/26/59/833322659.db2.gz HNPNUDGATIMONN-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001118867184 829143227 /nfs/dbraw/zinc/14/32/27/829143227.db2.gz OJOQWAIKGBRKKO-UHFFFAOYSA-N 2 0 324.425 -0.623 20 30 DBEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC001120588940 829397450 /nfs/dbraw/zinc/39/74/50/829397450.db2.gz IXILXAZZKUSUOD-CVEARBPZSA-N 2 0 311.474 -0.192 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NCC=C)CC1 ZINC001176926688 833437659 /nfs/dbraw/zinc/43/76/59/833437659.db2.gz SXJCAQWORWWZSU-UHFFFAOYSA-N 2 0 320.437 -0.270 20 30 DBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867393 829796922 /nfs/dbraw/zinc/79/69/22/829796922.db2.gz VHSRAYFJXYFXLC-AWEZNQCLSA-N 2 0 308.426 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180222585 833573046 /nfs/dbraw/zinc/57/30/46/833573046.db2.gz QBRROFXEJAFLCM-KBPBESRZSA-N 2 0 308.426 -0.345 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256641 829996140 /nfs/dbraw/zinc/99/61/40/829996140.db2.gz QGQOSMTUIISXFX-OLZOCXBDSA-N 2 0 307.398 -0.794 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685280 830023213 /nfs/dbraw/zinc/02/32/13/830023213.db2.gz LPUFZWIGEVLONI-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526946 830187059 /nfs/dbraw/zinc/18/70/59/830187059.db2.gz UHHPXHTZYJQKSW-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685165 830201851 /nfs/dbraw/zinc/20/18/51/830201851.db2.gz OKINKKAQMBYZNM-KFWWJZLASA-N 2 0 316.409 -0.263 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192659 830280018 /nfs/dbraw/zinc/28/00/18/830280018.db2.gz QMBJMMOHRMXVSP-CHWSQXEVSA-N 2 0 307.398 -0.651 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001130300154 830294094 /nfs/dbraw/zinc/29/40/94/830294094.db2.gz JLJJHTVYMNJDCK-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130659584 830356197 /nfs/dbraw/zinc/35/61/97/830356197.db2.gz RWLUQMPJTZXYSX-DZGCQCFKSA-N 2 0 303.410 -0.111 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786289 830530325 /nfs/dbraw/zinc/53/03/25/830530325.db2.gz LWYQVWZIQZYYHK-OAHLLOKOSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132739571 830688580 /nfs/dbraw/zinc/68/85/80/830688580.db2.gz SFSCLANGWOQEQY-HUUCEWRRSA-N 2 0 322.453 -0.048 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132858920 830707268 /nfs/dbraw/zinc/70/72/68/830707268.db2.gz PAHZVWJHVODPRN-CYBMUJFWSA-N 2 0 312.414 -0.896 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893406 830711791 /nfs/dbraw/zinc/71/17/91/830711791.db2.gz PHKBQZYNDUWEEJ-MJBXVCDLSA-N 2 0 308.426 -0.440 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040256 830736286 /nfs/dbraw/zinc/73/62/86/830736286.db2.gz IEWJXDMPPSNWLP-UHFFFAOYSA-N 2 0 313.402 -0.954 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690917 830810562 /nfs/dbraw/zinc/81/05/62/830810562.db2.gz WZTDHOUVFACMRR-KBPBESRZSA-N 2 0 310.442 -0.050 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001133824040 830832605 /nfs/dbraw/zinc/83/26/05/830832605.db2.gz WJWXKCVNWSKRML-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853602 830839229 /nfs/dbraw/zinc/83/92/29/830839229.db2.gz LUENQOVBRTVPFP-AWEZNQCLSA-N 2 0 323.441 -0.204 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCC[NH+](C)C ZINC001135317547 831051087 /nfs/dbraw/zinc/05/10/87/831051087.db2.gz ZBEILTTZLMTHEY-CHWSQXEVSA-N 2 0 311.430 -0.159 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267767 833711356 /nfs/dbraw/zinc/71/13/56/833711356.db2.gz MRZOUDJTIOMBMW-UKRRQHHQSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266841 833711587 /nfs/dbraw/zinc/71/15/87/833711587.db2.gz GMRBSTSDXICBOX-UKRRQHHQSA-N 2 0 306.410 -0.734 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474473 831075678 /nfs/dbraw/zinc/07/56/78/831075678.db2.gz QVUHAVYLGNEGPI-OAHLLOKOSA-N 2 0 310.442 -0.192 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647036 833725926 /nfs/dbraw/zinc/72/59/26/833725926.db2.gz BRBNRXUIUGPBTG-KGLIPLIRSA-N 2 0 308.426 -0.037 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCCC1 ZINC001146336306 831276603 /nfs/dbraw/zinc/27/66/03/831276603.db2.gz ATKJSDBJZFVJQJ-QWHCGFSZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591085 831285221 /nfs/dbraw/zinc/28/52/21/831285221.db2.gz FUWNJKVNUSGSAW-ZIAGYGMSSA-N 2 0 310.442 -0.051 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001147885300 831414451 /nfs/dbraw/zinc/41/44/51/831414451.db2.gz LNNNDEWVRRCTRW-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001152329881 831740936 /nfs/dbraw/zinc/74/09/36/831740936.db2.gz CWHOSWFVWBTECW-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(C)C)CC1 ZINC001152334704 831741989 /nfs/dbraw/zinc/74/19/89/831741989.db2.gz PFKNFZYYIXSQLS-UHFFFAOYSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cncn2C)CC1 ZINC001152334532 831742121 /nfs/dbraw/zinc/74/21/21/831742121.db2.gz GNJGBGNVSXJUGQ-UHFFFAOYSA-N 2 0 303.410 -0.029 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001152334560 831742505 /nfs/dbraw/zinc/74/25/05/831742505.db2.gz HOAOPNQOZSCOLB-CQSZACIVSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(C)C(C)C)CC1 ZINC001152334896 831742686 /nfs/dbraw/zinc/74/26/86/831742686.db2.gz UVVLYPIDGWNUQF-UHFFFAOYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152474060 831753990 /nfs/dbraw/zinc/75/39/90/831753990.db2.gz ZDWXNXPHUMYQIL-CABCVRRESA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152474062 831754060 /nfs/dbraw/zinc/75/40/60/831754060.db2.gz ZDWXNXPHUMYQIL-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155812513 831954031 /nfs/dbraw/zinc/95/40/31/831954031.db2.gz NXBMYIKPWPUTJP-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001155812510 831954385 /nfs/dbraw/zinc/95/43/85/831954385.db2.gz NXBMYIKPWPUTJP-KGLIPLIRSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890221 832008859 /nfs/dbraw/zinc/00/88/59/832008859.db2.gz JTAVZUGXGVNPHT-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185659873 833805139 /nfs/dbraw/zinc/80/51/39/833805139.db2.gz RLMKHZRZIAFSMO-CHWSQXEVSA-N 2 0 307.398 -0.699 20 30 DBEDRP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001269245482 832396780 /nfs/dbraw/zinc/39/67/80/832396780.db2.gz ILXWNZKDCWVTMS-ZDUSSCGKSA-N 2 0 321.425 -0.357 20 30 DBEDRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403211 832427674 /nfs/dbraw/zinc/42/76/74/832427674.db2.gz UGKOGETWZCWKNJ-UONOGXRCSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001269486378 832441034 /nfs/dbraw/zinc/44/10/34/832441034.db2.gz LISJJWULAKMODS-OAHLLOKOSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001269652430 832458018 /nfs/dbraw/zinc/45/80/18/832458018.db2.gz QFMWPPKABGIOEK-KRWDZBQOSA-N 2 0 320.437 -0.294 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001270041292 832492040 /nfs/dbraw/zinc/49/20/40/832492040.db2.gz BJGRELZWEQFMNL-IHRRRGAJSA-N 2 0 321.425 -0.405 20 30 DBEDRP 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/nfs/dbraw/zinc/79/32/08/832793208.db2.gz KXQANHMKPYJPBY-LSDHHAIUSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272780566 832832271 /nfs/dbraw/zinc/83/22/71/832832271.db2.gz ALDLMGGQTNDZTB-GXTWGEPZSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001273187897 832890680 /nfs/dbraw/zinc/89/06/80/832890680.db2.gz ZIJVIOYLIKRIFR-CYBMUJFWSA-N 2 0 308.426 -0.296 20 30 DBEDRP N#CCCN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160483166 832908836 /nfs/dbraw/zinc/90/88/36/832908836.db2.gz PPYFAKVLWSGPSH-CQSZACIVSA-N 2 0 305.426 -0.082 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161051959 832970268 /nfs/dbraw/zinc/97/02/68/832970268.db2.gz DNKYFWPVRQTPQC-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178357373 833502422 /nfs/dbraw/zinc/50/24/22/833502422.db2.gz ZKVFINRDBVVFEW-IHRRRGAJSA-N 2 0 306.410 -0.591 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001179337749 833543404 /nfs/dbraw/zinc/54/34/04/833543404.db2.gz WEIGFEIJENCMPP-IHRRRGAJSA-N 2 0 321.425 -0.311 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182485406 833678834 /nfs/dbraw/zinc/67/88/34/833678834.db2.gz AKXRSWVIAZLBQL-RHSMWYFYSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676323 833686581 /nfs/dbraw/zinc/68/65/81/833686581.db2.gz HCGUMBNERWSUJE-MGPQQGTHSA-N 2 0 306.410 -0.734 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183390167 833715520 /nfs/dbraw/zinc/71/55/20/833715520.db2.gz IRYFHRKMZWLEHU-ZIAGYGMSSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939827 833742840 /nfs/dbraw/zinc/74/28/40/833742840.db2.gz LBHSQLHHPGEZIX-CQSZACIVSA-N 2 0 318.421 -0.445 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277020314 833919906 /nfs/dbraw/zinc/91/99/06/833919906.db2.gz OBCBPQDGEYRMFL-CHWSQXEVSA-N 2 0 306.410 -0.543 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841951 833953269 /nfs/dbraw/zinc/95/32/69/833953269.db2.gz GTEAMDOZWXFKFJ-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP CC[C@@H](C(=O)N1CCC([N@H+](C)CC(=O)NCC#N)CC1)[NH+](C)C ZINC001277440600 833954820 /nfs/dbraw/zinc/95/48/20/833954820.db2.gz CTNBYKFQDLMIOK-AWEZNQCLSA-N 2 0 323.441 -0.111 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)COC)C2)CC1 ZINC001188092288 833964850 /nfs/dbraw/zinc/96/48/50/833964850.db2.gz VHPDYJVWJVZFPG-CVEARBPZSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)COC)C2)CC1 ZINC001188092289 833964970 /nfs/dbraw/zinc/96/49/70/833964970.db2.gz VHPDYJVWJVZFPG-HZPDHXFCSA-N 2 0 323.437 -0.471 20 30 DBEDRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001277854357 833998904 /nfs/dbraw/zinc/99/89/04/833998904.db2.gz LUSWOHGNIYYJPL-OCCSQVGLSA-N 2 0 311.430 -0.351 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001277872564 834000255 /nfs/dbraw/zinc/00/02/55/834000255.db2.gz PPOCKWGFBDYLTH-AWEZNQCLSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046279 834320808 /nfs/dbraw/zinc/32/08/08/834320808.db2.gz MGUAHGQPJJWJIG-CABCVRRESA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046282 834321844 /nfs/dbraw/zinc/32/18/44/834321844.db2.gz MGUAHGQPJJWJIG-LSDHHAIUSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153322 834335326 /nfs/dbraw/zinc/33/53/26/834335326.db2.gz OLOUHZOAQGNCBS-KGLIPLIRSA-N 2 0 308.426 -0.391 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153321 834336472 /nfs/dbraw/zinc/33/64/72/834336472.db2.gz OLOUHZOAQGNCBS-KBPBESRZSA-N 2 0 308.426 -0.391 20 30 DBEDRP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048129 834412775 /nfs/dbraw/zinc/41/27/75/834412775.db2.gz VPYCZLASSRJBMW-IIAWOOMASA-N 2 0 310.394 -0.528 20 30 DBEDRP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246045461 834413098 /nfs/dbraw/zinc/41/30/98/834413098.db2.gz KJOFXZJSWBYXIE-HNLJFRNMSA-N 2 0 322.405 -0.672 20 30 DBEDRP N#Cc1nccnc1N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246825729 834457463 /nfs/dbraw/zinc/45/74/63/834457463.db2.gz WGGPUIMCLOMHBB-CYBMUJFWSA-N 2 0 313.409 -0.436 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193640868 834519252 /nfs/dbraw/zinc/51/92/52/834519252.db2.gz FZCORHRKVHOUBM-CABCVRRESA-N 2 0 322.453 -0.001 20 30 DBEDRP C[NH+](C)CC#CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001256584510 834631411 /nfs/dbraw/zinc/63/14/11/834631411.db2.gz FJNHAUOIMNEYOC-HZPDHXFCSA-N 3 0 323.485 -0.068 20 30 DBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195830215 834728557 /nfs/dbraw/zinc/72/85/57/834728557.db2.gz ZPMQJQMDKGYSHO-HUUCEWRRSA-N 2 0 311.426 -0.308 20 30 DBEDRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@@H+]1CC#CCOC ZINC001264049282 835003189 /nfs/dbraw/zinc/00/31/89/835003189.db2.gz ULNHRUWEDIBESQ-ARFHVFGLSA-N 2 0 323.437 -0.064 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264423231 835030616 /nfs/dbraw/zinc/03/06/16/835030616.db2.gz PAQAGMLUPFLGDC-HDJSIYSDSA-N 2 0 320.437 -0.296 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199827552 835060361 /nfs/dbraw/zinc/06/03/61/835060361.db2.gz ZEFMWEFSCYHPAC-CQSZACIVSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001265459772 835143912 /nfs/dbraw/zinc/14/39/12/835143912.db2.gz MTGIOYMAYKDESQ-KBPBESRZSA-N 2 0 308.426 -0.345 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001265476971 835146047 /nfs/dbraw/zinc/14/60/47/835146047.db2.gz WWWIILYQUHWMAH-RBSFLKMASA-N 2 0 320.437 -0.155 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265494967 835147837 /nfs/dbraw/zinc/14/78/37/835147837.db2.gz XKLCWTSAYZQZDG-MGPQQGTHSA-N 2 0 308.426 -0.133 20 30 DBEDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001201149893 835172009 /nfs/dbraw/zinc/17/20/09/835172009.db2.gz OIYVUUGXGORSLA-HNNXBMFYSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001201267878 835179418 /nfs/dbraw/zinc/17/94/18/835179418.db2.gz SILNHFBXDNYYFJ-OAHLLOKOSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265882531 835192162 /nfs/dbraw/zinc/19/21/62/835192162.db2.gz WBKCCFLRUJZBFX-OAHLLOKOSA-N 2 0 322.453 -0.094 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265912656 835198432 /nfs/dbraw/zinc/19/84/32/835198432.db2.gz IRYFHRKMZWLEHU-UONOGXRCSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266026846 835219254 /nfs/dbraw/zinc/21/92/54/835219254.db2.gz SXMCJKRXPZRFKP-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202217087 835238790 /nfs/dbraw/zinc/23/87/90/835238790.db2.gz IIJFDXRWQZRCCL-UHFFFAOYSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+][C@H](C)C(=O)NC)CC1 ZINC001266191702 835245248 /nfs/dbraw/zinc/24/52/48/835245248.db2.gz HZSKVAOBYQKPKN-ZIAGYGMSSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203203806 835286672 /nfs/dbraw/zinc/28/66/72/835286672.db2.gz RNSRVUJAHCWRBD-UHFFFAOYSA-N 2 0 309.414 -0.451 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349660 835293619 /nfs/dbraw/zinc/29/36/19/835293619.db2.gz UUAWVBKXMCIGKR-UHFFFAOYSA-N 2 0 320.437 -0.035 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925308 835311448 /nfs/dbraw/zinc/31/14/48/835311448.db2.gz MKUMZZVUJDJFMS-UHFFFAOYSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266531706 835329400 /nfs/dbraw/zinc/32/94/00/835329400.db2.gz CEDNAGGZQQOOPT-GJZGRUSLSA-N 2 0 320.437 -0.199 20 30 DBEDRP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266546909 835334902 /nfs/dbraw/zinc/33/49/02/835334902.db2.gz ZGRRYMLQXSBOCM-CQSZACIVSA-N 2 0 320.437 -0.178 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266549360 835335626 /nfs/dbraw/zinc/33/56/26/835335626.db2.gz UFJQNEXIXVVVCJ-KBPBESRZSA-N 2 0 308.426 -0.322 20 30 DBEDRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001266693172 835362733 /nfs/dbraw/zinc/36/27/33/835362733.db2.gz QRNCXRBPICAXOL-SCRDCRAPSA-N 2 0 309.414 -0.551 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266718405 835367656 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DBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001267154539 835452593 /nfs/dbraw/zinc/45/25/93/835452593.db2.gz GIDZISKNASJEAN-QWHCGFSZSA-N 2 0 308.426 -0.310 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001267429391 835511012 /nfs/dbraw/zinc/51/10/12/835511012.db2.gz ZYRWJRFANZOVDH-UHFFFAOYSA-N 2 0 310.442 -0.238 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=O)NCC)CC1 ZINC001267474512 835520668 /nfs/dbraw/zinc/52/06/68/835520668.db2.gz UBDJFZMWBWNHSW-UHFFFAOYSA-N 2 0 308.426 -0.484 20 30 DBEDRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC(=O)NCC#N ZINC001267831968 835604765 /nfs/dbraw/zinc/60/47/65/835604765.db2.gz VXLCZGCKXFPAPQ-KGLIPLIRSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC#N)CC1 ZINC001267927550 835610486 /nfs/dbraw/zinc/61/04/86/835610486.db2.gz FVHFRHHMQGOENI-MGPQQGTHSA-N 2 0 321.425 -0.263 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001267953083 835612359 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0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485915151 1013429347 /nfs/dbraw/zinc/42/93/47/1013429347.db2.gz SKYBBYDUEWFHGC-CYBMUJFWSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC001485960608 1013449738 /nfs/dbraw/zinc/44/97/38/1013449738.db2.gz JEAYFBBETVEJPY-CQSZACIVSA-N 2 0 322.453 -0.144 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486090926 1013668905 /nfs/dbraw/zinc/66/89/05/1013668905.db2.gz DZVAMVRCXSNTQY-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001486092234 1013671707 /nfs/dbraw/zinc/67/17/07/1013671707.db2.gz CGTXUHVXOGAGCQ-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121787 1013686218 /nfs/dbraw/zinc/68/62/18/1013686218.db2.gz NHEWJGYPVUXJTG-KGLIPLIRSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C[NH+]1CCCC1 ZINC001486130749 1013694312 /nfs/dbraw/zinc/69/43/12/1013694312.db2.gz VGMBVOSGWUVDAS-CHWSQXEVSA-N 2 0 307.398 -0.699 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486240605 1013725702 /nfs/dbraw/zinc/72/57/02/1013725702.db2.gz NMKXRDAWZZMOPJ-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001486251259 1013729024 /nfs/dbraw/zinc/72/90/24/1013729024.db2.gz XZTUBMRXZBCGRN-ZDUSSCGKSA-N 2 0 323.441 -0.207 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207689015 978237903 /nfs/dbraw/zinc/23/79/03/978237903.db2.gz VGYBQECVDHLUJQ-CHWSQXEVSA-N 2 0 307.398 -0.699 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424414 978362711 /nfs/dbraw/zinc/36/27/11/978362711.db2.gz YLTMCOBRALQUQS-KGLIPLIRSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001208423478 978364674 /nfs/dbraw/zinc/36/46/74/978364674.db2.gz LJBAGFBQVJMLQU-GJZGRUSLSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209633791 978468932 /nfs/dbraw/zinc/46/89/32/978468932.db2.gz XYNDFWWKVNBVBZ-ZIAGYGMSSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210221256 978503292 /nfs/dbraw/zinc/50/32/92/978503292.db2.gz YOQWITJXRGPKRR-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064245 978552196 /nfs/dbraw/zinc/55/21/96/978552196.db2.gz LLGZUZNILXVWOD-ZIAGYGMSSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064242 978552981 /nfs/dbraw/zinc/55/29/81/978552981.db2.gz LLGZUZNILXVWOD-KBPBESRZSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847892 978754140 /nfs/dbraw/zinc/75/41/40/978754140.db2.gz XACNOXOCBLVIDE-ZIAGYGMSSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216853424 978795700 /nfs/dbraw/zinc/79/57/00/978795700.db2.gz AYEVGKLIOFXENC-RBSFLKMASA-N 2 0 322.453 -0.099 20 30 DBEDRP N#Cc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccc1O ZINC001218954257 978861761 /nfs/dbraw/zinc/86/17/61/978861761.db2.gz IRGFNOVEJWQUDA-ZDUSSCGKSA-N 2 0 303.366 -0.047 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616790 978980792 /nfs/dbraw/zinc/98/07/92/978980792.db2.gz DLTPAPSIVJIENZ-OFQRWUPVSA-N 2 0 320.368 -0.393 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c1 ZINC001219618201 978981808 /nfs/dbraw/zinc/98/18/08/978981808.db2.gz YNTDQOKSKSRZGJ-OFQRWUPVSA-N 2 0 320.368 -0.393 20 30 DBEDRP C#CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219634425 978985454 /nfs/dbraw/zinc/98/54/54/978985454.db2.gz XCRIDXASNTZWDI-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC001219737106 979002638 /nfs/dbraw/zinc/00/26/38/979002638.db2.gz OSSMVVDARYHRNP-GJZGRUSLSA-N 2 0 314.389 -0.077 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854679 979033515 /nfs/dbraw/zinc/03/35/15/979033515.db2.gz PQSKCQBEZXHZDO-XUWVNRHRSA-N 2 0 314.389 -0.079 20 30 DBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220415271 979194137 /nfs/dbraw/zinc/19/41/37/979194137.db2.gz DVGIPCQCBNCOAB-SECBINFHSA-N 2 0 304.310 -0.883 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001488772608 1014558941 /nfs/dbraw/zinc/55/89/41/1014558941.db2.gz XKZUEUJEBXJVQJ-OTVXOJSOSA-N 2 0 320.437 -0.438 20 30 DBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220572747 979233830 /nfs/dbraw/zinc/23/38/30/979233830.db2.gz ADLKZAVPIKWCJT-FFSVYQOJSA-N 2 0 324.425 -0.639 20 30 DBEDRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220583049 979242262 /nfs/dbraw/zinc/24/22/62/979242262.db2.gz BRDUZRBRMHKTAA-AWEZNQCLSA-N 2 0 318.377 -0.222 20 30 DBEDRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C[NH2+]C1 ZINC001220851323 979305725 /nfs/dbraw/zinc/30/57/25/979305725.db2.gz QOKSMTJNEJPMMJ-ZDUSSCGKSA-N 2 0 316.361 -0.551 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225428242 979596490 /nfs/dbraw/zinc/59/64/90/979596490.db2.gz YYHCOTPJRLZFFR-OAHLLOKOSA-N 2 0 320.437 -0.484 20 30 DBEDRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228366006 979673056 /nfs/dbraw/zinc/67/30/56/979673056.db2.gz LLGIGCRJDIGHTQ-CHWSQXEVSA-N 2 0 309.414 -0.405 20 30 DBEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001327181584 979795417 /nfs/dbraw/zinc/79/54/17/979795417.db2.gz SMMHXCRCDGLNOY-CABCVRRESA-N 2 0 323.441 -0.470 20 30 DBEDRP CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@H+](C)CC1 ZINC001343027215 979916489 /nfs/dbraw/zinc/91/64/89/979916489.db2.gz ZYATXCUSGYRHSS-CKDBGZEDSA-N 2 0 319.453 -0.168 20 30 DBEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001489080025 1014677508 /nfs/dbraw/zinc/67/75/08/1014677508.db2.gz BYZBTUDGRUIAOK-LBPRGKRZSA-N 2 0 317.393 -0.137 20 30 DBEDRP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC(=O)NCC#N ZINC001490233267 1014899743 /nfs/dbraw/zinc/89/97/43/1014899743.db2.gz QSIRHSFSOIEYFE-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393403 1014950850 /nfs/dbraw/zinc/95/08/50/1014950850.db2.gz FSTQZBDOEWFYBM-ZDUSSCGKSA-N 2 0 321.425 -0.451 20 30 DBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001367622976 984483278 /nfs/dbraw/zinc/48/32/78/984483278.db2.gz IISCLDTZRJPXDS-WCQYABFASA-N 2 0 319.833 -0.226 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367727006 984575181 /nfs/dbraw/zinc/57/51/81/984575181.db2.gz ZPZZBKZEFAFRGT-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490953963 1015171352 /nfs/dbraw/zinc/17/13/52/1015171352.db2.gz BPJPPYQGICPDAM-MGPQQGTHSA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491026321 1015196866 /nfs/dbraw/zinc/19/68/66/1015196866.db2.gz NAUUQJUFHYXVQQ-ZNMIVQPWSA-N 2 0 320.437 -0.153 20 30 DBEDRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC(=O)NCC#N ZINC001491455502 1015431555 /nfs/dbraw/zinc/43/15/55/1015431555.db2.gz HANKKLQVGHEBPH-CYBMUJFWSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491804078 1015630150 /nfs/dbraw/zinc/63/01/50/1015630150.db2.gz CJELDBNDRKDPQJ-RBSFLKMASA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491848665 1015652921 /nfs/dbraw/zinc/65/29/21/1015652921.db2.gz YUOAFOPGILDLBX-CQSZACIVSA-N 2 0 318.421 -0.730 20 30 DBEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001496365302 1016896828 /nfs/dbraw/zinc/89/68/28/1016896828.db2.gz YOMFBXJJOXQRPV-QWHCGFSZSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001496369332 1016898600 /nfs/dbraw/zinc/89/86/00/1016898600.db2.gz QFVIOLPGZBPFOX-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001479573624 1010303478 /nfs/dbraw/zinc/30/34/78/1010303478.db2.gz UWRYGSBEYIWTDQ-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP C=CCNC(=O)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001479809239 1010396552 /nfs/dbraw/zinc/39/65/52/1010396552.db2.gz VCMTYKVXTRZEBS-UHFFFAOYSA-N 2 0 308.426 -0.178 20 30 DBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001479815805 1010400313 /nfs/dbraw/zinc/40/03/13/1010400313.db2.gz NGRXQFCHOQYWHT-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001479924635 1010446956 /nfs/dbraw/zinc/44/69/56/1010446956.db2.gz SORYRKOLXZZOLZ-UHFFFAOYSA-N 2 0 304.438 -0.161 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001480111198 1010537609 /nfs/dbraw/zinc/53/76/09/1010537609.db2.gz HXJOOOUXKVBQPQ-KBPBESRZSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480116631 1010539475 /nfs/dbraw/zinc/53/94/75/1010539475.db2.gz RRUJGYDPXSLINI-QLFBSQMISA-N 2 0 322.453 -0.099 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480114933 1010539728 /nfs/dbraw/zinc/53/97/28/1010539728.db2.gz VGAOBDQGZJIPBX-HZSPNIEDSA-N 2 0 306.410 -0.591 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480174731 1010566527 /nfs/dbraw/zinc/56/65/27/1010566527.db2.gz ZQBYPEZAOTUEIJ-SHTZXODSSA-N 2 0 320.437 -0.151 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001480410905 1010628203 /nfs/dbraw/zinc/62/82/03/1010628203.db2.gz BJGRELZWEQFMNL-IYXRBSQSSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(=O)NCC#N ZINC001480536715 1010684014 /nfs/dbraw/zinc/68/40/14/1010684014.db2.gz JLUHVVWQAUEXRW-LBPRGKRZSA-N 2 0 311.430 -0.302 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC001480596076 1010707925 /nfs/dbraw/zinc/70/79/25/1010707925.db2.gz GHMAMDXSKBPBSD-CYBMUJFWSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480595846 1010708707 /nfs/dbraw/zinc/70/87/07/1010708707.db2.gz DWFCDUBZFUNDEL-ZBFHGGJFSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480614692 1010718265 /nfs/dbraw/zinc/71/82/65/1010718265.db2.gz HCGUMBNERWSUJE-HZSPNIEDSA-N 2 0 306.410 -0.734 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480665698 1010733587 /nfs/dbraw/zinc/73/35/87/1010733587.db2.gz OLPFSXCCORSOMP-KBPBESRZSA-N 2 0 308.426 -0.486 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480709832 1010740892 /nfs/dbraw/zinc/74/08/92/1010740892.db2.gz GUMPPCWBQQAZDQ-UONOGXRCSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230968 1010866396 /nfs/dbraw/zinc/86/63/96/1010866396.db2.gz KVEONPMBUWBZES-UKRRQHHQSA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481278937 1010879880 /nfs/dbraw/zinc/87/98/80/1010879880.db2.gz COBPYPLVTSJVMD-KGLIPLIRSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481278935 1010880774 /nfs/dbraw/zinc/88/07/74/1010880774.db2.gz COBPYPLVTSJVMD-KBPBESRZSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC(=O)NCC#N)CC1 ZINC001482003947 1011037083 /nfs/dbraw/zinc/03/70/83/1011037083.db2.gz LSWUAIGAJCOZKP-UHFFFAOYSA-N 2 0 323.441 -0.204 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482116925 1011057606 /nfs/dbraw/zinc/05/76/06/1011057606.db2.gz KXCUADNEKRGLES-CQSZACIVSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482696618 1011270704 /nfs/dbraw/zinc/27/07/04/1011270704.db2.gz CXXNSWPQAXFARX-CABCVRRESA-N 2 0 322.453 -0.050 20 30 DBEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001482770856 1011420116 /nfs/dbraw/zinc/42/01/16/1011420116.db2.gz XBXAEYWHVIKVAD-AWEZNQCLSA-N 2 0 313.442 -0.319 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482933699 1011548468 /nfs/dbraw/zinc/54/84/68/1011548468.db2.gz MVBKSLJGSSTAPP-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483046923 1011638270 /nfs/dbraw/zinc/63/82/70/1011638270.db2.gz JCWPYIDVAQCODY-KXLSMFKISA-N 2 0 320.437 -0.129 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483096507 1011682828 /nfs/dbraw/zinc/68/28/28/1011682828.db2.gz CDGFXSSLCFMPCZ-WSNITJDQSA-N 2 0 321.425 -0.237 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483096508 1011683703 /nfs/dbraw/zinc/68/37/03/1011683703.db2.gz CDGFXSSLCFMPCZ-ZRUQZJFASA-N 2 0 321.425 -0.237 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228987 1011807325 /nfs/dbraw/zinc/80/73/25/1011807325.db2.gz UXNDBPFJTNSWQE-AAEUAGOBSA-N 2 0 307.398 -0.938 20 30 DBEDRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001483279193 1011823562 /nfs/dbraw/zinc/82/35/62/1011823562.db2.gz JVMZHUFOOMVPRR-ZDUSSCGKSA-N 2 0 323.441 -0.159 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001483548630 1011901756 /nfs/dbraw/zinc/90/17/56/1011901756.db2.gz BVPGVIMOIHYJPO-KBPBESRZSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483605790 1011966405 /nfs/dbraw/zinc/96/64/05/1011966405.db2.gz SHZJUAYXYJQOJN-KBPBESRZSA-N 2 0 306.410 -0.828 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001483791467 1012141437 /nfs/dbraw/zinc/14/14/37/1012141437.db2.gz VPFPSYJXTSGDAI-ZDUSSCGKSA-N 2 0 306.410 -0.542 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001483795420 1012146504 /nfs/dbraw/zinc/14/65/04/1012146504.db2.gz UCOVQXDWWNRDOC-UHFFFAOYSA-N 2 0 320.437 -0.150 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001483933468 1012215904 /nfs/dbraw/zinc/21/59/04/1012215904.db2.gz BNJUNAQVCPOVLZ-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484124102 1012318866 /nfs/dbraw/zinc/31/88/66/1012318866.db2.gz FCUOSZVXOPXHSS-WMLDXEAASA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736103 1012844518 /nfs/dbraw/zinc/84/45/18/1012844518.db2.gz GTJGIJMWDRWHKH-GJZGRUSLSA-N 2 0 322.453 -0.001 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001484927946 1012897977 /nfs/dbraw/zinc/89/79/77/1012897977.db2.gz AJKILXIDMMMIQO-UHFFFAOYSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001485041337 1012960326 /nfs/dbraw/zinc/96/03/26/1012960326.db2.gz CGQKECNQLGVBJB-HNNXBMFYSA-N 2 0 320.437 -0.198 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497486291 1017394094 /nfs/dbraw/zinc/39/40/94/1017394094.db2.gz KFCWGJLMAYPFIV-CQSZACIVSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586531 1017431652 /nfs/dbraw/zinc/43/16/52/1017431652.db2.gz WMNVZZPMIHMANY-XIKIYNFVSA-N 2 0 320.437 -0.274 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497891693 1017539826 /nfs/dbraw/zinc/53/98/26/1017539826.db2.gz XJRFSFWCUJPQRO-RDBSUJKOSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498055885 1017596822 /nfs/dbraw/zinc/59/68/22/1017596822.db2.gz 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20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001298695105 805826653 /nfs/dbraw/zinc/82/66/53/805826653.db2.gz KGQGPMVJJGWGOK-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001316622707 805970954 /nfs/dbraw/zinc/97/09/54/805970954.db2.gz CLLQFJVLSUHUBJ-SOUVJXGZSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001317084483 806085729 /nfs/dbraw/zinc/08/57/29/806085729.db2.gz NHWGTGMVBSNOLS-HAQNSBGRSA-N 2 0 307.398 -0.795 20 30 DBEDRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317189116 806104585 /nfs/dbraw/zinc/10/45/85/806104585.db2.gz LTTXXLQMNXJQHK-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317293142 806125049 /nfs/dbraw/zinc/12/50/49/806125049.db2.gz YSDWHMASBFCDAX-CABCVRRESA-N 2 0 320.437 -0.342 20 30 DBEDRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N 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319.409 -0.483 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321249087 806595254 /nfs/dbraw/zinc/59/52/54/806595254.db2.gz HYSOVNCGVOSQKE-ISZGNANSSA-N 2 0 306.410 -0.660 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001321568159 806641001 /nfs/dbraw/zinc/64/10/01/806641001.db2.gz SDSWBZVBVDMHNY-GFCCVEGCSA-N 2 0 307.398 -0.651 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321978988 806696942 /nfs/dbraw/zinc/69/69/42/806696942.db2.gz URQYHIXSBYKKQL-MELADBBJSA-N 2 0 310.442 -0.195 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876809169 806806926 /nfs/dbraw/zinc/80/69/26/806806926.db2.gz WVMXGCDKJGOVRP-DZGCQCFKSA-N 2 0 300.362 -0.069 20 30 DBEDRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CCC1 ZINC001324176284 806949560 /nfs/dbraw/zinc/94/95/60/806949560.db2.gz SVHHFHQUAZRNMF-ZDUSSCGKSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(CC#N)CC1 ZINC001324172774 806949707 /nfs/dbraw/zinc/94/97/07/806949707.db2.gz CXETXERRTUSVLH-UHFFFAOYSA-N 2 0 323.441 -0.252 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001324261548 806957580 /nfs/dbraw/zinc/95/75/80/806957580.db2.gz CJPWWYUSAVPWCX-HOCLYGCPSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001324278293 806958863 /nfs/dbraw/zinc/95/88/63/806958863.db2.gz UFDQLYCMQUTMRE-QWHCGFSZSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCN(C(=O)CCC[NH+](C)C)C1CCN(CC(N)=O)CC1 ZINC001324413205 806972219 /nfs/dbraw/zinc/97/22/19/806972219.db2.gz JLNHFVCMJYVLLD-UHFFFAOYSA-N 2 0 308.426 -0.260 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001278006191 803739863 /nfs/dbraw/zinc/73/98/63/803739863.db2.gz QQGBIMSGGAYWHL-ZFWWWQNUSA-N 2 0 320.437 -0.214 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277995895 803739917 /nfs/dbraw/zinc/73/99/17/803739917.db2.gz XXNMBUYXTXRVAW-UKRRQHHQSA-N 2 0 310.442 -0.242 20 30 DBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001278155171 803760954 /nfs/dbraw/zinc/76/09/54/803760954.db2.gz NQGSVSWTBDLYTH-KBPBESRZSA-N 2 0 304.394 -0.156 20 30 DBEDRP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278786317 803825925 /nfs/dbraw/zinc/82/59/25/803825925.db2.gz AODCODNMWXXFCI-INIZCTEOSA-N 2 0 323.437 -0.327 20 30 DBEDRP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001278815705 803836549 /nfs/dbraw/zinc/83/65/49/803836549.db2.gz HNEGUDYQICCXGI-GOEBONIOSA-N 2 0 311.426 -0.471 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001279029168 803869758 /nfs/dbraw/zinc/86/97/58/803869758.db2.gz AVROCSYRDTYQRZ-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001279179834 803873582 /nfs/dbraw/zinc/87/35/82/803873582.db2.gz AMASNEPMSXAXDL-CABCVRRESA-N 2 0 322.453 -0.238 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280296376 803944828 /nfs/dbraw/zinc/94/48/28/803944828.db2.gz NHHMJEFGLAEUQM-ZIAGYGMSSA-N 2 0 321.425 -0.594 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001280630614 803994618 /nfs/dbraw/zinc/99/46/18/803994618.db2.gz QCWUTZHKXDIKME-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001280668371 804002630 /nfs/dbraw/zinc/00/26/30/804002630.db2.gz LVWGMOMIDSGGSA-OAHLLOKOSA-N 2 0 309.410 -0.451 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001282083974 804253727 /nfs/dbraw/zinc/25/37/27/804253727.db2.gz LFTTVSFXFVNKPE-NFOMZHRRSA-N 2 0 322.453 -0.051 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001284246094 804666553 /nfs/dbraw/zinc/66/65/53/804666553.db2.gz NACDORQXGAOSAV-KGLIPLIRSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CNC(=O)CC[NH+](C)C)CC1 ZINC001284323873 804684264 /nfs/dbraw/zinc/68/42/64/804684264.db2.gz GCQFSHBXCQPTGQ-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284814759 804772864 /nfs/dbraw/zinc/77/28/64/804772864.db2.gz BPBCVXKEDQDZPY-UHFFFAOYSA-N 2 0 319.409 -0.699 20 30 DBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000884413546 807049524 /nfs/dbraw/zinc/04/95/24/807049524.db2.gz WGIQQFVBEJGCRX-GYMHETDLSA-N 2 0 317.437 -0.368 20 30 DBEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001325161423 807043464 /nfs/dbraw/zinc/04/34/64/807043464.db2.gz OCHLSBNYLKPWPH-ZBFHGGJFSA-N 2 0 311.426 -0.306 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000884642563 807064452 /nfs/dbraw/zinc/06/44/52/807064452.db2.gz LZVMHOAYPMSAJF-CHWSQXEVSA-N 2 0 308.426 -0.194 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325761264 807100931 /nfs/dbraw/zinc/10/09/31/807100931.db2.gz IJXRBSNMTUWNAZ-KFWWJZLASA-N 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ZINC001335369262 808282280 /nfs/dbraw/zinc/28/22/80/808282280.db2.gz UCWXXQWTVWUNSA-INIZCTEOSA-N 2 0 311.474 -0.190 20 30 DBEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC001336732922 808414358 /nfs/dbraw/zinc/41/43/58/808414358.db2.gz IGYMPUPCLUQONQ-HOTGVXAUSA-N 2 0 311.474 -0.192 20 30 DBEDRP C=C1[C@@H](C(=O)NCC[NH+]2CCC2)[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC001339085388 808578937 /nfs/dbraw/zinc/57/89/37/808578937.db2.gz CFIIODJHQDWDGQ-ZIAGYGMSSA-N 2 0 306.410 -0.568 20 30 DBEDRP C=C1[C@H](C(=O)NCC[NH+]2CCC2)[C@H]1C(=O)NCC[NH+]1CCC1 ZINC001339085386 808579016 /nfs/dbraw/zinc/57/90/16/808579016.db2.gz CFIIODJHQDWDGQ-KBPBESRZSA-N 2 0 306.410 -0.568 20 30 DBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001342602982 808736450 /nfs/dbraw/zinc/73/64/50/808736450.db2.gz KXEQLIDXBWKTEN-CQSZACIVSA-N 2 0 319.405 -0.209 20 30 DBEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171499 809793330 /nfs/dbraw/zinc/79/33/30/809793330.db2.gz 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C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001019814140 814238566 /nfs/dbraw/zinc/23/85/66/814238566.db2.gz UJTMXRKMBXUSJF-JSGCOSHPSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CCOC)C[C@@H]2O)CC1 ZINC001047638212 817247594 /nfs/dbraw/zinc/24/75/94/817247594.db2.gz HGPIEOZHCPUEQT-HOTGVXAUSA-N 2 0 323.437 -0.519 20 30 DBEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833363 817455615 /nfs/dbraw/zinc/45/56/15/817455615.db2.gz NYIJJAHPIONJTJ-QKPAOTATSA-N 2 0 303.406 -0.127 20 30 DBEDRP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633358 818267123 /nfs/dbraw/zinc/26/71/23/818267123.db2.gz LGXHVUTTWJDPQV-ZDUSSCGKSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070197044 820422848 /nfs/dbraw/zinc/42/28/48/820422848.db2.gz QEOUQVITWGOEJT-TUVASFSCSA-N 2 0 316.409 -0.407 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)CC1 ZINC001073457232 821133642 /nfs/dbraw/zinc/13/36/42/821133642.db2.gz HGZOFXAEGIEVDB-UHFFFAOYSA-N 2 0 305.422 -0.142 20 30 DBEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418334 822106321 /nfs/dbraw/zinc/10/63/21/822106321.db2.gz NZWXTZNYPKMZGR-QJNCVLDKSA-N 2 0 321.421 -0.413 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2OC)CC1 ZINC001082383019 824434104 /nfs/dbraw/zinc/43/41/04/824434104.db2.gz FIJUSBWJTASTGB-HZPDHXFCSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653706 824455079 /nfs/dbraw/zinc/45/50/79/824455079.db2.gz ZINJGYMAVQSOEH-QVCPJDEESA-N 2 0 303.406 -0.081 20 30 DBEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778121 828741677 /nfs/dbraw/zinc/74/16/77/828741677.db2.gz FPPOAVYKZBBXLN-KNCOVGOOSA-N 2 0 320.437 -0.229 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114780180 828742233 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CYQRTWVAGSZQIS-GFCCVEGCSA-N 2 0 308.382 -0.381 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510413 833028490 /nfs/dbraw/zinc/02/84/90/833028490.db2.gz OOLZKHSLZPQOSN-UONOGXRCSA-N 2 0 300.362 -0.386 20 30 DBEDRP C#CCOC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274553788 833096022 /nfs/dbraw/zinc/09/60/22/833096022.db2.gz AOFWZXXKHMUDJS-RDJZCZTQSA-N 2 0 323.437 -0.517 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100186042 826905565 /nfs/dbraw/zinc/90/55/65/826905565.db2.gz XJUJBZWUOAEPRX-JXQTWKCFSA-N 2 0 306.410 -0.686 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185946 826906082 /nfs/dbraw/zinc/90/60/82/826906082.db2.gz TZGUVOXNXCPRAO-JXQTWKCFSA-N 2 0 308.426 -0.133 20 30 DBEDRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001100423312 826963244 /nfs/dbraw/zinc/96/32/44/826963244.db2.gz CBLXGUDKIZQWTQ-PIMMBPRGSA-N 2 0 323.441 -0.303 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890433 827041545 /nfs/dbraw/zinc/04/15/45/827041545.db2.gz ZWUQZHHEUAMMNB-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100900202 827042352 /nfs/dbraw/zinc/04/23/52/827042352.db2.gz VNIUQVQDTFNYSD-UHFFFAOYSA-N 2 0 309.414 -0.548 20 30 DBEDRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CC(=O)NCC#N)CCCC1 ZINC001163297389 833146308 /nfs/dbraw/zinc/14/63/08/833146308.db2.gz KUJJYIURPHFXAZ-UHFFFAOYSA-N 2 0 323.441 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001275278783 833166465 /nfs/dbraw/zinc/16/64/65/833166465.db2.gz IIQWCGIHUBMXBR-UHFFFAOYSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001163820204 833171137 /nfs/dbraw/zinc/17/11/37/833171137.db2.gz DPXUWQMPHXQRBM-CYBMUJFWSA-N 2 0 321.425 -0.404 20 30 DBEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104622432 827362964 /nfs/dbraw/zinc/36/29/64/827362964.db2.gz WTHGGAIRLRINQW-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP C[C@H](CN(C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275630542 833196223 /nfs/dbraw/zinc/19/62/23/833196223.db2.gz VEAYPBWWNCKDJN-RDBSUJKOSA-N 2 0 323.441 -0.207 20 30 DBEDRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)CC(=O)NCC#N ZINC001275836243 833213345 /nfs/dbraw/zinc/21/33/45/833213345.db2.gz SNGLOGVWDPSJHJ-YNEHKIRRSA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623672 827666074 /nfs/dbraw/zinc/66/60/74/827666074.db2.gz YVYVCPJNDPYXBY-QLFBSQMISA-N 2 0 322.453 -0.240 20 30 DBEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106622741 827666110 /nfs/dbraw/zinc/66/61/10/827666110.db2.gz NXSMYENNRVDHHB-CHWSQXEVSA-N 2 0 309.414 -0.738 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106983048 827690426 /nfs/dbraw/zinc/69/04/26/827690426.db2.gz SIERIUARVPTMFF-QLFBSQMISA-N 2 0 322.453 -0.076 20 30 DBEDRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001167257582 833293912 /nfs/dbraw/zinc/29/39/12/833293912.db2.gz BOOPRAPVCFJKLF-ZDUSSCGKSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861423 828318040 /nfs/dbraw/zinc/31/80/40/828318040.db2.gz MJTHLOFJWNKNRL-YOEHRIQHSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169798434 833344874 /nfs/dbraw/zinc/34/48/74/833344874.db2.gz PBNFMJDFJWKCMO-UONOGXRCSA-N 2 0 323.441 -0.015 20 30 DBEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001118131013 829038495 /nfs/dbraw/zinc/03/84/95/829038495.db2.gz PXHCRUSZJYCZIQ-CHWSQXEVSA-N 2 0 309.414 -0.289 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217994 833367471 /nfs/dbraw/zinc/36/74/71/833367471.db2.gz QEHSUNAPQDSDDI-CYBMUJFWSA-N 2 0 314.430 -0.649 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175049892 833387137 /nfs/dbraw/zinc/38/71/37/833387137.db2.gz ZCUWSANGVYZLHE-CQSZACIVSA-N 2 0 310.442 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001176926951 833438048 /nfs/dbraw/zinc/43/80/48/833438048.db2.gz ZLTIJZJCXIAVDX-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176986223 833444881 /nfs/dbraw/zinc/44/48/81/833444881.db2.gz IAJHRIZZRFPJOD-CYBMUJFWSA-N 2 0 309.414 -0.404 20 30 DBEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001176997735 833446423 /nfs/dbraw/zinc/44/64/23/833446423.db2.gz YSTBYBQLGPZDRZ-HNNXBMFYSA-N 2 0 323.441 -0.158 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255680 829996057 /nfs/dbraw/zinc/99/60/57/829996057.db2.gz KQTISTTVGNIDRL-UONOGXRCSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257009 829997674 /nfs/dbraw/zinc/99/76/74/829997674.db2.gz UVQOOASEXBBHRI-UONOGXRCSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481264 830014787 /nfs/dbraw/zinc/01/47/87/830014787.db2.gz QRTRPYRTWLHVJJ-OCCSQVGLSA-N 2 0 306.410 -0.828 20 30 DBEDRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128533046 830094575 /nfs/dbraw/zinc/09/45/75/830094575.db2.gz FIOOGZZTULANQR-NSHDSACASA-N 2 0 301.366 -0.988 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128787309 830130526 /nfs/dbraw/zinc/13/05/26/830130526.db2.gz ZFBQHJZVPSESDC-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228316 830161496 /nfs/dbraw/zinc/16/14/96/830161496.db2.gz NGJJRILMSWWVQS-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362570 830175343 /nfs/dbraw/zinc/17/53/43/830175343.db2.gz ADRPVAIEFSIOOT-INIZCTEOSA-N 2 0 323.437 -0.015 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129984948 830239957 /nfs/dbraw/zinc/23/99/57/830239957.db2.gz KQJOKKTZCCMPJX-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130054839 830255616 /nfs/dbraw/zinc/25/56/16/830255616.db2.gz SEAJOJJSSRUYRU-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130096342 830262535 /nfs/dbraw/zinc/26/25/35/830262535.db2.gz FLGPCLCEGQTELW-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170216 830271887 /nfs/dbraw/zinc/27/18/87/830271887.db2.gz SCNPLXBWESFYEV-UHFFFAOYSA-N 2 0 306.410 -0.682 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130192661 830279758 /nfs/dbraw/zinc/27/97/58/830279758.db2.gz QMBJMMOHRMXVSP-QWHCGFSZSA-N 2 0 307.398 -0.651 20 30 DBEDRP CN(CCC(=O)NCC[NH2+]CC(=O)NCC#N)c1cc[nH+]cc1 ZINC001130556628 830341276 /nfs/dbraw/zinc/34/12/76/830341276.db2.gz PVNFGPWHLMHVDG-UHFFFAOYSA-N 2 0 318.381 -0.747 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556702 830341864 /nfs/dbraw/zinc/34/18/64/830341864.db2.gz TVVMNPHLTQMOOT-UHFFFAOYSA-N 2 0 317.393 -0.637 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370115 830464328 /nfs/dbraw/zinc/46/43/28/830464328.db2.gz DKDWYZZECSUCOS-UHFFFAOYSA-N 2 0 301.350 -0.044 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519266 830478819 /nfs/dbraw/zinc/47/88/19/830478819.db2.gz BVFDYVGFRHEIOP-BBBYJDLNSA-N 2 0 307.394 -0.795 20 30 DBEDRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC(=O)NCC#N)CCCC1 ZINC001131835606 830541511 /nfs/dbraw/zinc/54/15/11/830541511.db2.gz YSYPMIUWDCEILE-UHFFFAOYSA-N 2 0 309.414 -0.404 20 30 DBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294776 830764596 /nfs/dbraw/zinc/76/45/96/830764596.db2.gz TWQTYBHBQHLKKR-LLVKDONJSA-N 2 0 313.402 -0.956 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690921 830809969 /nfs/dbraw/zinc/80/99/69/830809969.db2.gz WZTDHOUVFACMRR-ZIAGYGMSSA-N 2 0 310.442 -0.050 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583464 830952765 /nfs/dbraw/zinc/95/27/65/830952765.db2.gz KTQSGQGTCXKPKO-CHWSQXEVSA-N 2 0 323.441 -0.017 20 30 DBEDRP C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCCC1 ZINC001134749890 830975036 /nfs/dbraw/zinc/97/50/36/830975036.db2.gz FKNCKMIDVXUHRB-ZDUSSCGKSA-N 2 0 309.414 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135317353 831049595 /nfs/dbraw/zinc/04/95/95/831049595.db2.gz YBQRDCDSWMIQOQ-UONOGXRCSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450480 833717216 /nfs/dbraw/zinc/71/72/16/833717216.db2.gz RRUJGYDPXSLINI-KFWWJZLASA-N 2 0 322.453 -0.099 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135705861 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978757354 /nfs/dbraw/zinc/75/73/54/978757354.db2.gz PGCLILCMGLZKCK-MCIONIFRSA-N 2 0 321.425 -0.453 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216490962 978787622 /nfs/dbraw/zinc/78/76/22/978787622.db2.gz YMQBLUHQTANBOE-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463326 978787979 /nfs/dbraw/zinc/78/79/79/978787979.db2.gz DRGIYXPHSYTVEG-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216502516 978788307 /nfs/dbraw/zinc/78/83/07/978788307.db2.gz FNLLUZXBAAIBQH-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216754138 978793789 /nfs/dbraw/zinc/79/37/89/978793789.db2.gz JAOWAOFQVRRZNG-CHWSQXEVSA-N 2 0 307.398 -0.842 20 30 DBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218638017 978839825 /nfs/dbraw/zinc/83/98/25/978839825.db2.gz VETKCJPOYUBRFL-LBPRGKRZSA-N 2 0 324.348 -0.262 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 ZINC001218919619 978859278 /nfs/dbraw/zinc/85/92/78/978859278.db2.gz WBYCFEAJNADIQL-JKSUJKDBSA-N 2 0 323.437 -0.110 20 30 DBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720778 979000810 /nfs/dbraw/zinc/00/08/10/979000810.db2.gz PYLBRTVNJGSVNU-CBBWQLFWSA-N 2 0 300.362 -0.296 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001219813702 979023793 /nfs/dbraw/zinc/02/37/93/979023793.db2.gz ZYTCPBIFXFAQCT-ZOBUZTSGSA-N 2 0 314.389 -0.220 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001219854726 979033158 /nfs/dbraw/zinc/03/31/58/979033158.db2.gz RIACOEQHQHOQTP-CBBWQLFWSA-N 2 0 300.362 -0.469 20 30 DBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001529320782 1014540328 /nfs/dbraw/zinc/54/03/28/1014540328.db2.gz NWNUISUDBUWSCD-GOEBONIOSA-N 2 0 311.426 -0.164 20 30 DBEDRP N#Cc1ccccc1C[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103558 979097913 /nfs/dbraw/zinc/09/79/13/979097913.db2.gz WPKQHMMPRZSFSW-ZDUSSCGKSA-N 2 0 302.382 -0.111 20 30 DBEDRP C=C[C@H]1C[C@]1(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)OCC ZINC001220571161 979235719 /nfs/dbraw/zinc/23/57/19/979235719.db2.gz KQDNHOOVKJNITN-UAXWRAGISA-N 2 0 307.394 -0.191 20 30 DBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771132 979281076 /nfs/dbraw/zinc/28/10/76/979281076.db2.gz GJAMAMRWMNPOAD-KGLIPLIRSA-N 2 0 309.410 -0.554 20 30 DBEDRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C[NH2+]C1 ZINC001220851159 979304867 /nfs/dbraw/zinc/30/48/67/979304867.db2.gz KFBZTGRECSQMOD-ZDUSSCGKSA-N 2 0 316.361 -0.551 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCO[C@@H]2CC[NH2+]C2)c1 ZINC001220936257 979330744 /nfs/dbraw/zinc/33/07/44/979330744.db2.gz DRFXBFJFEKDBNE-CABCVRRESA-N 2 0 302.378 -0.077 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346528 979570370 /nfs/dbraw/zinc/57/03/70/979570370.db2.gz LKQGEAMHZPFKOV-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001326760245 979764984 /nfs/dbraw/zinc/76/49/84/979764984.db2.gz LTTXXLQMNXJQHK-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001326783568 979768716 /nfs/dbraw/zinc/76/87/16/979768716.db2.gz BMXIKGRAQZLHLQ-JTQLQIEISA-N 2 0 306.374 -0.436 20 30 DBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001327130303 979793509 /nfs/dbraw/zinc/79/35/09/979793509.db2.gz GPOYGZJXAVKHQE-OLZOCXBDSA-N 2 0 309.414 -0.289 20 30 DBEDRP C[N@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001331074772 979854231 /nfs/dbraw/zinc/85/42/31/979854231.db2.gz NRFXOFUQZXTACJ-ZDUSSCGKSA-N 2 0 321.425 -0.499 20 30 DBEDRP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]CC(=O)NCC#N ZINC001331584519 979891061 /nfs/dbraw/zinc/89/10/61/979891061.db2.gz LRKBXZPPLSDPLL-NWDGAFQWSA-N 2 0 320.397 -0.335 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001331712879 979893968 /nfs/dbraw/zinc/89/39/68/979893968.db2.gz VBIXGVHPBULCKC-QLFBSQMISA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001488859235 1014617971 /nfs/dbraw/zinc/61/79/71/1014617971.db2.gz VFXKYXLRADPPFX-KKUMJFAQSA-N 2 0 320.437 -0.438 20 30 DBEDRP N#CC[C@@]1(O)CC[NH+](CCOCC[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001345780990 980086511 /nfs/dbraw/zinc/08/65/11/980086511.db2.gz LADDCVUGJNNZAE-HZPDHXFCSA-N 2 0 322.409 -0.296 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001346373495 980136082 /nfs/dbraw/zinc/13/60/82/980136082.db2.gz GHIPIXQZNRNAAV-GJZGRUSLSA-N 2 0 309.458 -0.125 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270350 1014913094 /nfs/dbraw/zinc/91/30/94/1014913094.db2.gz LSOUNTPVSYIDGA-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490280270 1014915500 /nfs/dbraw/zinc/91/55/00/1014915500.db2.gz WEXPZEMTXIYEAN-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490356632 1014942256 /nfs/dbraw/zinc/94/22/56/1014942256.db2.gz JOKPLPZVWLUIKY-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP COCC#CCN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001490474620 1014988644 /nfs/dbraw/zinc/98/86/44/1014988644.db2.gz JJFFIBWVOZAVPT-UHFFFAOYSA-N 2 0 324.469 -0.288 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001490666852 1015074586 /nfs/dbraw/zinc/07/45/86/1015074586.db2.gz AAVGSHRRKZAAGS-AWEZNQCLSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001490826478 1015125036 /nfs/dbraw/zinc/12/50/36/1015125036.db2.gz SWWWMEUMOAYLRY-LSDHHAIUSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)COC)C2)CC1 ZINC001491080400 1015220993 /nfs/dbraw/zinc/22/09/93/1015220993.db2.gz MRFZJYSFOOQPRT-XHSDSOJGSA-N 2 0 323.437 -0.424 20 30 DBEDRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487263 1015448791 /nfs/dbraw/zinc/44/87/91/1015448791.db2.gz XXUTVFAUDAVTKJ-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487264 1015449011 /nfs/dbraw/zinc/44/90/11/1015449011.db2.gz XXUTVFAUDAVTKJ-QWHCGFSZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001491560946 1015488822 /nfs/dbraw/zinc/48/88/22/1015488822.db2.gz STWHCYOMLHAICV-IHRRRGAJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640173 1015537554 /nfs/dbraw/zinc/53/75/54/1015537554.db2.gz JEBOSJLSGPTIPH-OLZOCXBDSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491804077 1015629620 /nfs/dbraw/zinc/62/96/20/1015629620.db2.gz CJELDBNDRKDPQJ-QLFBSQMISA-N 2 0 320.437 -0.486 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890755 1015663898 /nfs/dbraw/zinc/66/38/98/1015663898.db2.gz FSRSVKJZKSMOAV-ZIAGYGMSSA-N 2 0 323.441 -0.015 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392468514 996949792 /nfs/dbraw/zinc/94/97/92/996949792.db2.gz ZPZZBKZEFAFRGT-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495301370 1016607860 /nfs/dbraw/zinc/60/78/60/1016607860.db2.gz UDVLWCQVFDMESU-SUMWQHHRSA-N 2 0 320.437 -0.438 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001495667057 1016682689 /nfs/dbraw/zinc/68/26/89/1016682689.db2.gz HBUHKACOGXKKCM-MELADBBJSA-N 2 0 323.441 -0.302 20 30 DBEDRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CC(=O)NCC#N ZINC001495682646 1016686986 /nfs/dbraw/zinc/68/69/86/1016686986.db2.gz GCQBHQKLLHMTBH-GFCCVEGCSA-N 2 0 309.414 -0.548 20 30 DBEDRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001495729312 1016709123 /nfs/dbraw/zinc/70/91/23/1016709123.db2.gz HJTBKEZKWAQNJE-RDBSUJKOSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1cn(C)nn1 ZINC001496080755 1016833819 /nfs/dbraw/zinc/83/38/19/1016833819.db2.gz RJBJZMOWAWPOSI-ZFWWWQNUSA-N 2 0 318.425 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001496369337 1016899379 /nfs/dbraw/zinc/89/93/79/1016899379.db2.gz QFVIOLPGZBPFOX-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479284825 1010234067 /nfs/dbraw/zinc/23/40/67/1010234067.db2.gz JGIRHTVGQFKGSE-KBXIAJHMSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479284826 1010234965 /nfs/dbraw/zinc/23/49/65/1010234965.db2.gz JGIRHTVGQFKGSE-XQLPTFJDSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001479416297 1010283664 /nfs/dbraw/zinc/28/36/64/1010283664.db2.gz YCWPKPUSRZLQKG-APIJFGDWSA-N 2 0 320.437 -0.440 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001479507092 1010299148 /nfs/dbraw/zinc/29/91/48/1010299148.db2.gz SXTJJUUANWAWEA-LSDHHAIUSA-N 2 0 303.410 -0.111 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001480111199 1010536249 /nfs/dbraw/zinc/53/62/49/1010536249.db2.gz HXJOOOUXKVBQPQ-KGLIPLIRSA-N 2 0 320.437 -0.201 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001480111893 1010536691 /nfs/dbraw/zinc/53/66/91/1010536691.db2.gz RGLBRTNQPDQCLS-ZDUSSCGKSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480116632 1010538755 /nfs/dbraw/zinc/53/87/55/1010538755.db2.gz RRUJGYDPXSLINI-SOUVJXGZSA-N 2 0 322.453 -0.099 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480140633 1010551527 /nfs/dbraw/zinc/55/15/27/1010551527.db2.gz BCCHXKAJUSVMJB-IHRRRGAJSA-N 2 0 321.425 -0.263 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480153165 1010557786 /nfs/dbraw/zinc/55/77/86/1010557786.db2.gz IDNCULMUOOGTBF-XDQVBPFNSA-N 2 0 306.410 -0.545 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480223814 1010580379 /nfs/dbraw/zinc/58/03/79/1010580379.db2.gz JNWJLZCATUGXPP-RWMBFGLXSA-N 2 0 307.398 -0.795 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480223866 1010580830 /nfs/dbraw/zinc/58/08/30/1010580830.db2.gz KUYYUNHPWYXBOH-MCIONIFRSA-N 2 0 306.410 -0.686 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001480573504 1010699285 /nfs/dbraw/zinc/69/92/85/1010699285.db2.gz IBFZRBYDYPSOPK-UONOGXRCSA-N 2 0 320.437 -0.037 20 30 DBEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001480573503 1010699299 /nfs/dbraw/zinc/69/92/99/1010699299.db2.gz IBFZRBYDYPSOPK-KGLIPLIRSA-N 2 0 320.437 -0.037 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC001480596077 1010708752 /nfs/dbraw/zinc/70/87/52/1010708752.db2.gz GHMAMDXSKBPBSD-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001480619593 1010719135 /nfs/dbraw/zinc/71/91/35/1010719135.db2.gz GZELGWNLAAMXEH-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001481290244 1010882755 /nfs/dbraw/zinc/88/27/55/1010882755.db2.gz FTCQRTVDVHOWTD-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=O)N(C)C)CC1 ZINC001481319986 1010889286 /nfs/dbraw/zinc/88/92/86/1010889286.db2.gz RVOYLYGSBICYGC-UHFFFAOYSA-N 2 0 308.426 -0.532 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001481824291 1011009789 /nfs/dbraw/zinc/00/97/89/1011009789.db2.gz SAWNYPHBJKCFDN-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NCC#N ZINC001481829881 1011011271 /nfs/dbraw/zinc/01/12/71/1011011271.db2.gz ZFMWBWWPHQOFEN-ZDUSSCGKSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482100190 1011052407 /nfs/dbraw/zinc/05/24/07/1011052407.db2.gz BCBJPZIALRNLKH-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353994 1011126538 /nfs/dbraw/zinc/12/65/38/1011126538.db2.gz MVINSMWKTUPYBT-STQMWFEESA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482354859 1011129066 /nfs/dbraw/zinc/12/90/66/1011129066.db2.gz UWKRABBMSVRXCD-UONOGXRCSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001482369072 1011133991 /nfs/dbraw/zinc/13/39/91/1011133991.db2.gz UDBKWGQNOJPILY-STQMWFEESA-N 2 0 308.426 -0.358 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482990855 1011575839 /nfs/dbraw/zinc/57/58/39/1011575839.db2.gz IQNLTMKUQZOLEZ-BEVHLOIGSA-N 2 0 306.410 -0.520 20 30 DBEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001483274080 1011822565 /nfs/dbraw/zinc/82/25/65/1011822565.db2.gz LKJCBJSCDOEEJY-AWEZNQCLSA-N 2 0 321.425 -0.198 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483466262 1011882077 /nfs/dbraw/zinc/88/20/77/1011882077.db2.gz DALPIYJQYLAFJP-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001483548632 1011899355 /nfs/dbraw/zinc/89/93/55/1011899355.db2.gz BVPGVIMOIHYJPO-KGLIPLIRSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001483794941 1012146129 /nfs/dbraw/zinc/14/61/29/1012146129.db2.gz NGKDZXBIUVTDSW-CYBMUJFWSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)CC1 ZINC001484253728 1012463989 /nfs/dbraw/zinc/46/39/89/1012463989.db2.gz ZPRUZNXGPJXRJC-KRWDZBQOSA-N 2 0 323.437 -0.733 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484534793 1012761700 /nfs/dbraw/zinc/76/17/00/1012761700.db2.gz AAVOKHLJCMLVRP-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)CC1 ZINC001484649969 1012810485 /nfs/dbraw/zinc/81/04/85/1012810485.db2.gz TYGMXDNVTAXRAV-UHFFFAOYSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001484736105 1012843677 /nfs/dbraw/zinc/84/36/77/1012843677.db2.gz GTJGIJMWDRWHKH-LSDHHAIUSA-N 2 0 322.453 -0.001 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001485096370 1012993400 /nfs/dbraw/zinc/99/34/00/1012993400.db2.gz YNVJKDXOYYZNNR-RUXDESIVSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497829784 1017516706 /nfs/dbraw/zinc/51/67/06/1017516706.db2.gz QTAWSUYICVYHMP-CHWSQXEVSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCn2cncn2)CC1 ZINC001498197840 1017674812 /nfs/dbraw/zinc/67/48/12/1017674812.db2.gz XPAIQRDCIWYLEK-AWEZNQCLSA-N 2 0 318.425 -0.282 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863686 1017877430 /nfs/dbraw/zinc/87/74/30/1017877430.db2.gz MQWNYNGAGQOPPQ-QWHCGFSZSA-N 2 0 307.398 -0.938 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001501152701 1018587736 /nfs/dbraw/zinc/58/77/36/1018587736.db2.gz CFFUBGUNCFCFPI-UONOGXRCSA-N 2 0 323.441 -0.350 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001501619558 1018842934 /nfs/dbraw/zinc/84/29/34/1018842934.db2.gz UZYLRXUGKURQAU-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001502082714 1018981260 /nfs/dbraw/zinc/98/12/60/1018981260.db2.gz LCTFCAPHIFXHII-HNNXBMFYSA-N 2 0 309.410 -0.453 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087234 1018985025 /nfs/dbraw/zinc/98/50/25/1018985025.db2.gz NAXGDSOXJFKBRW-OAHLLOKOSA-N 2 0 321.421 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502738361 1019153206 /nfs/dbraw/zinc/15/32/06/1019153206.db2.gz MVWQYQJVAHMCQJ-UONOGXRCSA-N 2 0 320.437 -0.486 20 30 DBEDRP CC[C@H](C(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001502784509 1019175556 /nfs/dbraw/zinc/17/55/56/1019175556.db2.gz TZQZHGHWASMRAZ-CYBMUJFWSA-N 2 0 323.441 -0.063 20 30 DBEDRP C=CCS(=O)(=O)CC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC001574948190 1019321356 /nfs/dbraw/zinc/32/13/56/1019321356.db2.gz XBAQLRHOQOSXJV-GFCCVEGCSA-N 2 0 303.428 -0.626 20 30 DBEDRP N#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001505536423 1019339518 /nfs/dbraw/zinc/33/95/18/1019339518.db2.gz YKZVWINWFPUUJM-UHFFFAOYSA-N 2 0 307.398 -0.794 20 30 DBEDRP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1CC[NH+](C)CC1 ZINC001507321602 1020291553 /nfs/dbraw/zinc/29/15/53/1020291553.db2.gz PZIUTTBWBTYCHW-JSGCOSHPSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001507331717 1020294934 /nfs/dbraw/zinc/29/49/34/1020294934.db2.gz QPXBPWMOCNPBDJ-KBPBESRZSA-N 2 0 306.410 -0.589 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001582025920 1020869479 /nfs/dbraw/zinc/86/94/79/1020869479.db2.gz YAXRZFLQWDCTPQ-UHFFFAOYSA-N 2 0 320.437 -0.390 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001566720421 1024351137 /nfs/dbraw/zinc/35/11/37/1024351137.db2.gz URBTZGLQBMGHSJ-ZIAGYGMSSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001566803601 1024377366 /nfs/dbraw/zinc/37/73/66/1024377366.db2.gz GOSAMCJTPLYYEE-JOCQHMNTSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566811307 1024380067 /nfs/dbraw/zinc/38/00/67/1024380067.db2.gz QCEMCPTWPDAQIA-XUXIUFHCSA-N 2 0 308.426 -0.299 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001566880605 1024405584 /nfs/dbraw/zinc/40/55/84/1024405584.db2.gz ARRIGWNKZVOHJH-OAHLLOKOSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567017336 1024471363 /nfs/dbraw/zinc/47/13/63/1024471363.db2.gz YYXMANLAQCBILD-ZIAGYGMSSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567025073 1024477401 /nfs/dbraw/zinc/47/74/01/1024477401.db2.gz UDVHISNRAHKXSK-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001567042488 1024479396 /nfs/dbraw/zinc/47/93/96/1024479396.db2.gz TTWAGJBIOJNOFU-ZDUSSCGKSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001567082200 1024506999 /nfs/dbraw/zinc/50/69/99/1024506999.db2.gz KCGNNCLFMYVNFX-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001567088577 1024515360 /nfs/dbraw/zinc/51/53/60/1024515360.db2.gz PRAQCZICZBVFEZ-HNNXBMFYSA-N 2 0 322.453 -0.094 20 30 DBEDRP CC(C)(C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001567101691 1024516976 /nfs/dbraw/zinc/51/69/76/1024516976.db2.gz APKITTOVWXHBDJ-ZDUSSCGKSA-N 2 0 321.425 -0.309 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001567098152 1024521245 /nfs/dbraw/zinc/52/12/45/1024521245.db2.gz CETRDKSJSFFFMO-ZDUSSCGKSA-N 2 0 319.409 -0.555 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153114 1024553649 /nfs/dbraw/zinc/55/36/49/1024553649.db2.gz HVILRXXYMIPBPZ-CHWSQXEVSA-N 2 0 307.398 -0.984 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567154301 1024555189 /nfs/dbraw/zinc/55/51/89/1024555189.db2.gz DEQBQBWSEPMVJO-CQSZACIVSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001567231984 1024585277 /nfs/dbraw/zinc/58/52/77/1024585277.db2.gz QWTCQUPTCWYRFO-CYBMUJFWSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001567511801 1024755635 /nfs/dbraw/zinc/75/56/35/1024755635.db2.gz IRPXYCSMLWAFDZ-KBPBESRZSA-N 2 0 310.442 -0.242 20 30 DBEDRP CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567709643 1024812226 /nfs/dbraw/zinc/81/22/26/1024812226.db2.gz SMSLSAUXHMKUBE-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567741668 1024817085 /nfs/dbraw/zinc/81/70/85/1024817085.db2.gz HUJFXXKLTAPLMS-HUUCEWRRSA-N 2 0 322.453 -0.144 20 30 DBEDRP C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567847714 1024832592 /nfs/dbraw/zinc/83/25/92/1024832592.db2.gz TYJVYGACQCHHLR-OCCSQVGLSA-N 2 0 306.410 -0.876 20 30 DBEDRP C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567847715 1024833452 /nfs/dbraw/zinc/83/34/52/1024833452.db2.gz TYJVYGACQCHHLR-TZMCWYRMSA-N 2 0 306.410 -0.876 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001567979934 1024854503 /nfs/dbraw/zinc/85/45/03/1024854503.db2.gz RMMVJDNCDIYWGX-HNNXBMFYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001568208944 1024875076 /nfs/dbraw/zinc/87/50/76/1024875076.db2.gz QDONWERQUKHRIF-UKRRQHHQSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C)CC1 ZINC001568210177 1024875585 /nfs/dbraw/zinc/87/55/85/1024875585.db2.gz ZTSIVAWYYKRHLZ-AWEZNQCLSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568313226 1024891278 /nfs/dbraw/zinc/89/12/78/1024891278.db2.gz WQFDZCXKMDMEIS-CYBMUJFWSA-N 2 0 306.410 -0.732 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001568470104 1024904865 /nfs/dbraw/zinc/90/48/65/1024904865.db2.gz HMFLVOVGJGQZAA-KGLIPLIRSA-N 2 0 310.442 -0.029 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001568544517 1024927651 /nfs/dbraw/zinc/92/76/51/1024927651.db2.gz DFWHFIDCXDPDKP-KGLIPLIRSA-N 2 0 321.425 -0.404 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001568544518 1024929776 /nfs/dbraw/zinc/92/97/76/1024929776.db2.gz DFWHFIDCXDPDKP-UONOGXRCSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568905754 1025075012 /nfs/dbraw/zinc/07/50/12/1025075012.db2.gz DVQDSVLRAUIVKT-LUNKNMTDSA-N 2 0 320.437 -0.272 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001568964242 1025099174 /nfs/dbraw/zinc/09/91/74/1025099174.db2.gz PMUOXKBVQLRNEB-YJQVQVLHSA-N 2 0 320.437 -0.013 20 30 DBEDRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC[NH+](C)C ZINC001569523658 1025268243 /nfs/dbraw/zinc/26/82/43/1025268243.db2.gz UTZBACQTGPWBTD-OLZOCXBDSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001570163407 1025507242 /nfs/dbraw/zinc/50/72/42/1025507242.db2.gz ISSWFUHKQJBFOV-HOTGVXAUSA-N 2 0 323.437 -0.205 20 30 DBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001570294273 1025567903 /nfs/dbraw/zinc/56/79/03/1025567903.db2.gz RFIBTHNFDNJTMC-DOTOQJQBSA-N 2 0 323.437 -0.469 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC(N)=O)CC1 ZINC001571326378 1025892546 /nfs/dbraw/zinc/89/25/46/1025892546.db2.gz UHRMNFVAWXODNN-CYBMUJFWSA-N 2 0 308.426 -0.309 20 30 DBEDRP CNC(=O)[C@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000284255292 335010756 /nfs/dbraw/zinc/01/07/56/335010756.db2.gz WMZJQMHBKLJBQG-ZIAGYGMSSA-N 2 0 310.442 -0.382 20 30 DBEDRP COCCNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066245383 380663390 /nfs/dbraw/zinc/66/33/90/380663390.db2.gz CSAIKXIEYCIRNN-OAHLLOKOSA-N 2 0 306.410 -0.044 20 30 DBEDRP C[C@@H](C#N)CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572819101 381800841 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ZINC000844194486 805653403 /nfs/dbraw/zinc/65/34/03/805653403.db2.gz ITOQBSFZDGGYIO-UONOGXRCSA-N 2 0 314.393 -0.325 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316621528 805969825 /nfs/dbraw/zinc/96/98/25/805969825.db2.gz CPZNTELSDNRWOU-XQLPTFJDSA-N 2 0 322.453 -0.051 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CC(N)=O)CC1 ZINC001316911008 806028352 /nfs/dbraw/zinc/02/83/52/806028352.db2.gz LNXSWGZIZUTJNM-UHFFFAOYSA-N 2 0 308.426 -0.355 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001317030706 806073116 /nfs/dbraw/zinc/07/31/16/806073116.db2.gz WLUQOXHZCJCBCI-UKRRQHHQSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001317063366 806078834 /nfs/dbraw/zinc/07/88/34/806078834.db2.gz BWFGQMBQMNPAAC-AWEZNQCLSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001317116695 806091639 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C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166432785 833271474 /nfs/dbraw/zinc/27/14/74/833271474.db2.gz ODLKEVUPIZQYBJ-AWEZNQCLSA-N 2 0 310.442 -0.048 20 30 DBEDRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)CC(C)(C)C ZINC001166744190 833280738 /nfs/dbraw/zinc/28/07/38/833280738.db2.gz LKZZTZGLOZMEBI-UHFFFAOYSA-N 2 0 311.430 -0.300 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655088 833305802 /nfs/dbraw/zinc/30/58/02/833305802.db2.gz DJVPJQWCAVKBNY-UHFFFAOYSA-N 2 0 308.426 -0.436 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001168137471 833318360 /nfs/dbraw/zinc/31/83/60/833318360.db2.gz OAZWFLBRHVRNCD-ZDUSSCGKSA-N 2 0 321.425 -0.546 20 30 DBEDRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001169940521 833346532 /nfs/dbraw/zinc/34/65/32/833346532.db2.gz HEALCRRZSOAFEI-UHFFFAOYSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169949051 833346562 /nfs/dbraw/zinc/34/65/62/833346562.db2.gz ZSBXEYLCTHOGHD-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001171293287 833368427 /nfs/dbraw/zinc/36/84/27/833368427.db2.gz GXUYEGCTNFSWSK-AWEZNQCLSA-N 2 0 320.437 -0.035 20 30 DBEDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001120472565 829379295 /nfs/dbraw/zinc/37/92/95/829379295.db2.gz QEWGCTMFCDSMFI-OAHLLOKOSA-N 2 0 310.442 -0.105 20 30 DBEDRP C#CC[NH2+]CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001122009220 829539129 /nfs/dbraw/zinc/53/91/29/829539129.db2.gz IAWNBKKALYBWFJ-UHFFFAOYSA-N 2 0 301.394 -0.328 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884699 833431047 /nfs/dbraw/zinc/43/10/47/833431047.db2.gz PEBQZYBJXOAXDV-UHFFFAOYSA-N 2 0 308.426 -0.292 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001176926441 833437817 /nfs/dbraw/zinc/43/78/17/833437817.db2.gz MPQBQYCEVLCMDO-HNNXBMFYSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001176926545 833437871 /nfs/dbraw/zinc/43/78/71/833437871.db2.gz PFKNRDNBCUAONT-UHFFFAOYSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOCCO)CC1 ZINC001176926819 833437920 /nfs/dbraw/zinc/43/79/20/833437920.db2.gz WJWTXQWXXMSAAY-UHFFFAOYSA-N 2 0 311.426 -0.564 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnnn2C)CC1 ZINC001176926977 833437980 /nfs/dbraw/zinc/43/79/80/833437980.db2.gz ZWDVLSVVEVNDEL-UHFFFAOYSA-N 2 0 318.425 -0.244 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001176925950 833436877 /nfs/dbraw/zinc/43/68/77/833436877.db2.gz FAOMMERMLSOOMY-AWEZNQCLSA-N 2 0 308.426 -0.309 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cnn(C)n2)CC1 ZINC001176926690 833437513 /nfs/dbraw/zinc/43/75/13/833437513.db2.gz UBLJAHIFALRXCY-UHFFFAOYSA-N 2 0 318.425 -0.244 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255681 829995676 /nfs/dbraw/zinc/99/56/76/829995676.db2.gz KQTISTTVGNIDRL-ZIAGYGMSSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257008 829997293 /nfs/dbraw/zinc/99/72/93/829997293.db2.gz UVQOOASEXBBHRI-KGLIPLIRSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706155 830024604 /nfs/dbraw/zinc/02/46/04/830024604.db2.gz IXCVERPFCDBHOU-MELADBBJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328387 830172263 /nfs/dbraw/zinc/17/22/63/830172263.db2.gz PDIGAKAPTYFOJY-CABCVRRESA-N 2 0 322.453 -0.192 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129341379 830173640 /nfs/dbraw/zinc/17/36/40/830173640.db2.gz TYAQHZGRFJCQBJ-AWEZNQCLSA-N 2 0 310.442 -0.028 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129418965 830181148 /nfs/dbraw/zinc/18/11/48/830181148.db2.gz YZFVRWISISJGOV-CQSZACIVSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129845927 830217890 /nfs/dbraw/zinc/21/78/90/830217890.db2.gz KTUVZELVZXXHNT-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129918540 830228282 /nfs/dbraw/zinc/22/82/82/830228282.db2.gz CMJVJMNZAPNXGF-KGLIPLIRSA-N 2 0 318.425 -0.017 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173492 830273918 /nfs/dbraw/zinc/27/39/18/830273918.db2.gz GTVZFLIPVVGPFL-AWEZNQCLSA-N 2 0 320.437 -0.294 20 30 DBEDRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001130197894 830279905 /nfs/dbraw/zinc/27/99/05/830279905.db2.gz QHMUZMLGGSQLKK-CYBMUJFWSA-N 2 0 311.430 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656695 830354660 /nfs/dbraw/zinc/35/46/60/830354660.db2.gz XYRVFJLYNAPQDJ-UHFFFAOYSA-N 2 0 313.361 -0.288 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874923 830403475 /nfs/dbraw/zinc/40/34/75/830403475.db2.gz UPFBTUKMYKIQIU-GFCCVEGCSA-N 2 0 313.361 -0.208 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790236 830529711 /nfs/dbraw/zinc/52/97/11/830529711.db2.gz JHMRZGUFPIWOGI-HIFRSBDPSA-N 2 0 320.437 -0.296 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786530 830530246 /nfs/dbraw/zinc/53/02/46/830530246.db2.gz VXIXHEGCOPWGFG-CQSZACIVSA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132737221 830688718 /nfs/dbraw/zinc/68/87/18/830688718.db2.gz JMOWRPLCLBZZTA-AWEZNQCLSA-N 2 0 308.426 -0.436 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133288190 830762988 /nfs/dbraw/zinc/76/29/88/830762988.db2.gz RUHNBQSVRRRBNO-CQSZACIVSA-N 2 0 308.426 -0.179 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001133845466 830837441 /nfs/dbraw/zinc/83/74/41/830837441.db2.gz GNOKGJFKYBFBKT-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908437 830853152 /nfs/dbraw/zinc/85/31/52/830853152.db2.gz QWFDJFMTHRFXON-CYBMUJFWSA-N 2 0 310.442 -0.192 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583467 830952186 /nfs/dbraw/zinc/95/21/86/830952186.db2.gz KTQSGQGTCXKPKO-STQMWFEESA-N 2 0 323.441 -0.017 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298946 831047529 /nfs/dbraw/zinc/04/75/29/831047529.db2.gz RUQCMSQOFGGJNK-STQMWFEESA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135317354 831049021 /nfs/dbraw/zinc/04/90/21/831049021.db2.gz YBQRDCDSWMIQOQ-ZIAGYGMSSA-N 2 0 310.442 -0.050 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCC[NH+](C)C ZINC001135317550 831051060 /nfs/dbraw/zinc/05/10/60/831051060.db2.gz ZBEILTTZLMTHEY-STQMWFEESA-N 2 0 311.430 -0.159 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939208 831139523 /nfs/dbraw/zinc/13/95/23/831139523.db2.gz WFTBWVMDPXNVBY-QWHCGFSZSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939338 831139684 /nfs/dbraw/zinc/13/96/84/831139684.db2.gz YOUISSGYZYJDOG-KBPBESRZSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCCC1 ZINC001146336300 831276707 /nfs/dbraw/zinc/27/67/07/831276707.db2.gz ATKJSDBJZFVJQJ-CHWSQXEVSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341401 831277904 /nfs/dbraw/zinc/27/79/04/831277904.db2.gz XPESJDWAIUOIJK-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC)CC1 ZINC001146569640 831284615 /nfs/dbraw/zinc/28/46/15/831284615.db2.gz BORHIYDACDQXFR-KBPBESRZSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146592293 831285889 /nfs/dbraw/zinc/28/58/89/831285889.db2.gz IZRFFDIOIIXJMP-QWHCGFSZSA-N 2 0 311.430 -0.161 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185071957 833779566 /nfs/dbraw/zinc/77/95/66/833779566.db2.gz CDDGWFZQOYTSKV-GJZGRUSLSA-N 2 0 322.453 -0.238 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876953 831413574 /nfs/dbraw/zinc/41/35/74/831413574.db2.gz AERPFXVBBGODTI-CQSZACIVSA-N 2 0 323.441 -0.204 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147885299 831414732 /nfs/dbraw/zinc/41/47/32/831414732.db2.gz LNNNDEWVRRCTRW-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049804 831660640 /nfs/dbraw/zinc/66/06/40/831660640.db2.gz ZIQOAIASXXFGJM-ZDUSSCGKSA-N 2 0 309.414 -0.594 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCn2cncn2)CC1 ZINC001152330580 831741804 /nfs/dbraw/zinc/74/18/04/831741804.db2.gz RSVGYFKWRDSTAU-UHFFFAOYSA-N 2 0 304.398 -0.671 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC=C)CC1 ZINC001152331058 831742639 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DBEDRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001157842387 832066323 /nfs/dbraw/zinc/06/63/23/832066323.db2.gz KXKVRTMWFLRZGA-QCNOEVLYSA-N 2 0 319.427 -0.721 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039751 832085980 /nfs/dbraw/zinc/08/59/80/832085980.db2.gz UBVZBRAYQONALR-UONOGXRCSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197189 832098403 /nfs/dbraw/zinc/09/84/03/832098403.db2.gz SGIXJUJATKHNCV-AWEZNQCLSA-N 2 0 306.410 -0.827 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197369 832099440 /nfs/dbraw/zinc/09/94/40/832099440.db2.gz XKIKXJGZHWDODB-ZDUSSCGKSA-N 2 0 307.398 -0.936 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486571 832117865 /nfs/dbraw/zinc/11/78/65/832117865.db2.gz OHYHHNPXWCCRIL-UONOGXRCSA-N 2 0 324.425 -0.752 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486572 832117926 /nfs/dbraw/zinc/11/79/26/832117926.db2.gz OHYHHNPXWCCRIL-ZIAGYGMSSA-N 2 0 324.425 -0.752 20 30 DBEDRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185669198 833805983 /nfs/dbraw/zinc/80/59/83/833805983.db2.gz QOWFZQWOBOVZDL-CHWSQXEVSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269296314 832409811 /nfs/dbraw/zinc/40/98/11/832409811.db2.gz LSMGGRSNPWAZFS-UONOGXRCSA-N 2 0 306.410 -0.780 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001270041293 832492217 /nfs/dbraw/zinc/49/22/17/832492217.db2.gz BJGRELZWEQFMNL-MGPQQGTHSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001270121879 832501957 /nfs/dbraw/zinc/50/19/57/832501957.db2.gz PMOCSTWIYDFOQT-CQSZACIVSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270697394 832566816 /nfs/dbraw/zinc/56/68/16/832566816.db2.gz HHJYZHCWPOVAGW-YOEHRIQHSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271076527 832615670 /nfs/dbraw/zinc/61/56/70/832615670.db2.gz TURBCKNOHQBKMB-MJBXVCDLSA-N 2 0 323.441 -0.207 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001271081826 832616660 /nfs/dbraw/zinc/61/66/60/832616660.db2.gz GTVUJRCNYALLGY-GFCCVEGCSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001277075340 833924067 /nfs/dbraw/zinc/92/40/67/833924067.db2.gz VKLXNTLHHCPYFD-MGPQQGTHSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839363 832850799 /nfs/dbraw/zinc/85/07/99/832850799.db2.gz ZHIMPINYHNKMHI-OAHLLOKOSA-N 2 0 322.453 -0.190 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932981 832860664 /nfs/dbraw/zinc/86/06/64/832860664.db2.gz XGLADDZBNSDWHK-TZMCWYRMSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160867940 832955179 /nfs/dbraw/zinc/95/51/79/832955179.db2.gz IZYXYKMZYNNOLR-LSDHHAIUSA-N 2 0 320.437 -0.151 20 30 DBEDRP CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161064321 832971546 /nfs/dbraw/zinc/97/15/46/832971546.db2.gz PIBVMLWRKZGSQU-RHYQMDGZSA-N 2 0 319.427 -0.579 20 30 DBEDRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)CC[N@@H+]1C ZINC001178731378 833521986 /nfs/dbraw/zinc/52/19/86/833521986.db2.gz UBKBSQGHSSCOLN-RQJABVFESA-N 2 0 321.425 -0.455 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534218 833549610 /nfs/dbraw/zinc/54/96/10/833549610.db2.gz BDSABSYEXZWMAP-KKUMJFAQSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925550 833563705 /nfs/dbraw/zinc/56/37/05/833563705.db2.gz QLBIUULUKVHCBZ-ZNMIVQPWSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCCC[NH+](C)C ZINC001179968385 833565431 /nfs/dbraw/zinc/56/54/31/833565431.db2.gz SOPHXRNABGNEAI-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124751 833570473 /nfs/dbraw/zinc/57/04/73/833570473.db2.gz QIXUOGYZSPDSED-MJBXVCDLSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001182472603 833678496 /nfs/dbraw/zinc/67/84/96/833678496.db2.gz GBSPCWYQXQOACL-CABCVRRESA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962491 833776249 /nfs/dbraw/zinc/77/62/49/833776249.db2.gz ZLWIHCZRPBXAEV-KFWWJZLASA-N 2 0 320.437 -0.201 20 30 DBEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](CC)CC ZINC001185609816 833800667 /nfs/dbraw/zinc/80/06/67/833800667.db2.gz PMIOVVMMBUQNGM-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C 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RIEDWXGJEFYIOF-LSDHHAIUSA-N 2 0 320.437 -0.342 20 30 DBEDRP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246310493 834428347 /nfs/dbraw/zinc/42/83/47/834428347.db2.gz CWAXIYGDWXBUJO-GFCCVEGCSA-N 2 0 322.434 -0.111 20 30 DBEDRP N#C[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CCN1 ZINC001246677643 834448023 /nfs/dbraw/zinc/44/80/23/834448023.db2.gz VYXARXKEPWUJRW-GJZGRUSLSA-N 2 0 305.426 -0.226 20 30 DBEDRP COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193084884 834460945 /nfs/dbraw/zinc/46/09/45/834460945.db2.gz DKSARNSTQXPKMR-KBUPBQIOSA-N 2 0 309.410 -0.862 20 30 DBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765972 834528621 /nfs/dbraw/zinc/52/86/21/834528621.db2.gz LXOZJIVVTGEJRN-ZIAGYGMSSA-N 2 0 311.426 -0.165 20 30 DBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676729 834713619 /nfs/dbraw/zinc/71/36/19/834713619.db2.gz IZNDRIFIHMTHGM-ZIAGYGMSSA-N 2 0 311.426 -0.308 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001263851521 834991005 /nfs/dbraw/zinc/99/10/05/834991005.db2.gz MEVWSIGHRFJPMX-OKILXGFUSA-N 2 0 308.426 -0.440 20 30 DBEDRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001264395048 835027217 /nfs/dbraw/zinc/02/72/17/835027217.db2.gz JHNYLSXCOSNWFP-FRRDWIJNSA-N 2 0 309.414 -0.549 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199827551 835060240 /nfs/dbraw/zinc/06/02/40/835060240.db2.gz ZEFMWEFSCYHPAC-AWEZNQCLSA-N 2 0 308.426 -0.037 20 30 DBEDRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001265446231 835141780 /nfs/dbraw/zinc/14/17/80/835141780.db2.gz BNTQSPPSMDNLOX-ZDUSSCGKSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265454103 835143117 /nfs/dbraw/zinc/14/31/17/835143117.db2.gz FBHIKCLHWOBCNM-KBPBESRZSA-N 2 0 318.421 -0.589 20 30 DBEDRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265454051 835143132 /nfs/dbraw/zinc/14/31/32/835143132.db2.gz DOKUKVZABBONFZ-OLZOCXBDSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265478806 835146273 /nfs/dbraw/zinc/14/62/73/835146273.db2.gz PLSNYVUTAGTBGS-AAVRWANBSA-N 2 0 306.410 -0.687 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265490695 835147117 /nfs/dbraw/zinc/14/71/17/835147117.db2.gz JPCREYKSJBZNMV-IHRRRGAJSA-N 2 0 306.410 -0.543 20 30 DBEDRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001265492180 835147230 /nfs/dbraw/zinc/14/72/30/835147230.db2.gz NBIGOLPILCULPH-XUXIUFHCSA-N 2 0 321.425 -0.407 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265494966 835148185 /nfs/dbraw/zinc/14/81/85/835148185.db2.gz XKLCWTSAYZQZDG-IHRRRGAJSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265558309 835153014 /nfs/dbraw/zinc/15/30/14/835153014.db2.gz UVUAEMSWDNBFGA-LJISPDSOSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001201150119 835172116 /nfs/dbraw/zinc/17/21/16/835172116.db2.gz XIKIVEAEUMCWIV-INIZCTEOSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265942155 835203475 /nfs/dbraw/zinc/20/34/75/835203475.db2.gz WVMGSCDLZYDQHV-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266037464 835220475 /nfs/dbraw/zinc/22/04/75/835220475.db2.gz SDRMLNTZJKEEIW-KBPBESRZSA-N 2 0 308.426 -0.322 20 30 DBEDRP C#CCNC(=O)C[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001266080624 835227681 /nfs/dbraw/zinc/22/76/81/835227681.db2.gz OFQAIRYWDGCQQN-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202503431 835252195 /nfs/dbraw/zinc/25/21/95/835252195.db2.gz MWKGLHLQNVEVPB-HIFRSBDPSA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203004803 835277214 /nfs/dbraw/zinc/27/72/14/835277214.db2.gz HABLWIGBGMOTGE-UHFFFAOYSA-N 2 0 308.426 -0.342 20 30 DBEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203347561 835293727 /nfs/dbraw/zinc/29/37/27/835293727.db2.gz AJHFFBANEMBQTG-OLZOCXBDSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203358986 835294620 /nfs/dbraw/zinc/29/46/20/835294620.db2.gz LWQGFQCPZISALO-ZIAGYGMSSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001266410000 835302055 /nfs/dbraw/zinc/30/20/55/835302055.db2.gz WARLOJXESRTWPJ-BPLDGKMQSA-N 2 0 320.437 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266545002 835333704 /nfs/dbraw/zinc/33/37/04/835333704.db2.gz BAEMEUUWLKWPMV-KKUMJFAQSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC001266652043 835352531 /nfs/dbraw/zinc/35/25/31/835352531.db2.gz OTNHBUPKCXZMTG-AGUYFDCRSA-N 2 0 321.425 -0.311 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266725326 835369929 /nfs/dbraw/zinc/36/99/29/835369929.db2.gz CZRORLINGDVGKJ-MCIONIFRSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206074517 835376573 /nfs/dbraw/zinc/37/65/73/835376573.db2.gz QRJFGJKLTYRURY-UHFFFAOYSA-N 2 0 323.441 -0.204 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266778083 835381216 /nfs/dbraw/zinc/38/12/16/835381216.db2.gz HUMJZYHOPIULFN-GJZGRUSLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206145825 835382468 /nfs/dbraw/zinc/38/24/68/835382468.db2.gz GOJVOVMLVXGXDF-UHFFFAOYSA-N 2 0 309.414 -0.594 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266993826 835424065 /nfs/dbraw/zinc/42/40/65/835424065.db2.gz GDLIMPABHQHEIM-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001266995545 835424509 /nfs/dbraw/zinc/42/45/09/835424509.db2.gz UYZRZQCJVYCYRJ-DZGCQCFKSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267571887 835532478 /nfs/dbraw/zinc/53/24/78/835532478.db2.gz UPZANERBGFYHTM-CABCVRRESA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267594748 835537451 /nfs/dbraw/zinc/53/74/51/835537451.db2.gz BRTCUIOPNBDCHA-CABCVRRESA-N 2 0 320.437 -0.532 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)COC)C2)CC1 ZINC001267735445 835580585 /nfs/dbraw/zinc/58/05/85/835580585.db2.gz VKGYRPGPOARWDX-JKSUJKDBSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001267754794 835589989 /nfs/dbraw/zinc/58/99/89/835589989.db2.gz VKGYRPGPOARWDX-CVEARBPZSA-N 2 0 323.437 -0.471 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267987323 835616291 /nfs/dbraw/zinc/61/62/91/835616291.db2.gz UCKVWMXINABHMS-MGPQQGTHSA-N 2 0 310.442 -0.029 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001268100524 835632782 /nfs/dbraw/zinc/63/27/82/835632782.db2.gz XRGDWSGINLRBJD-UKRRQHHQSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC)CC1 ZINC001268099632 835632966 /nfs/dbraw/zinc/63/29/66/835632966.db2.gz OHTAARZMELFWAR-AWEZNQCLSA-N 2 0 322.453 -0.096 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001268138206 835635807 /nfs/dbraw/zinc/63/58/07/835635807.db2.gz AWIVEIXOGVFTFX-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001268336111 835671821 /nfs/dbraw/zinc/67/18/21/835671821.db2.gz ZGIFZLARTSJUHW-GDBMZVCRSA-N 2 0 323.437 -0.565 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268380140 835681649 /nfs/dbraw/zinc/68/16/49/835681649.db2.gz YEYUSYLCMFWAKE-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268479951 835704725 /nfs/dbraw/zinc/70/47/25/835704725.db2.gz YFQDFBJVHIJLHW-AWEZNQCLSA-N 2 0 308.426 -0.484 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268648271 835765836 /nfs/dbraw/zinc/76/58/36/835765836.db2.gz AMXHYYGLWQFPGQ-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268706641 835784779 /nfs/dbraw/zinc/78/47/79/835784779.db2.gz OPLCDMHUAZWARM-KBPBESRZSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268812110 835813218 /nfs/dbraw/zinc/81/32/18/835813218.db2.gz RFYXHQRSXQFWAD-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001268958494 835849852 /nfs/dbraw/zinc/84/98/52/835849852.db2.gz LCTGSOPGDHTPRS-ZDUSSCGKSA-N 2 0 308.426 -0.357 20 30 DBEDRP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485714222 1013332995 /nfs/dbraw/zinc/33/29/95/1013332995.db2.gz CGXKAVVUBGVFKP-CHWSQXEVSA-N 2 0 309.414 -0.405 20 30 DBEDRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485819742 1013375999 /nfs/dbraw/zinc/37/59/99/1013375999.db2.gz JJCGAYSHLKZWQN-ZIAGYGMSSA-N 2 0 321.425 -0.453 20 30 DBEDRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NCC#N ZINC001485895321 1013416542 /nfs/dbraw/zinc/41/65/42/1013416542.db2.gz KNKUPSCHLILRCW-ZDUSSCGKSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NCC#N ZINC001485945335 1013443906 /nfs/dbraw/zinc/44/39/06/1013443906.db2.gz VSILEJFWPORYHR-LBPRGKRZSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C12CCC[NH+]1CCC2 ZINC001497416441 1017371507 /nfs/dbraw/zinc/37/15/07/1017371507.db2.gz VBDUPMFCUXPPBT-UHFFFAOYSA-N 2 0 320.437 -0.198 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486093324 1013672861 /nfs/dbraw/zinc/67/28/61/1013672861.db2.gz LJCPQDKSADYJNB-OLZOCXBDSA-N 2 0 309.414 -0.453 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486093323 1013672581 /nfs/dbraw/zinc/67/25/81/1013672581.db2.gz LJCPQDKSADYJNB-CHWSQXEVSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001486240604 1013727156 /nfs/dbraw/zinc/72/71/56/1013727156.db2.gz NMKXRDAWZZMOPJ-CYBMUJFWSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001486251258 1013730083 /nfs/dbraw/zinc/73/00/83/1013730083.db2.gz XZTUBMRXZBCGRN-CYBMUJFWSA-N 2 0 323.441 -0.207 20 30 DBEDRP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC#CCOC)[NH+](C)C ZINC001486350429 1013826047 /nfs/dbraw/zinc/82/60/47/1013826047.db2.gz ZEEKEBOYOHOJCV-CABCVRRESA-N 2 0 313.442 -0.273 20 30 DBEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001527802414 1014296640 /nfs/dbraw/zinc/29/66/40/1014296640.db2.gz ACZSUPBUTLTERH-GDBMZVCRSA-N 2 0 304.438 -0.021 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207685147 978231985 /nfs/dbraw/zinc/23/19/85/978231985.db2.gz XLXIMNOIASFTMZ-UONOGXRCSA-N 2 0 306.410 -0.589 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334137 978346620 /nfs/dbraw/zinc/34/66/20/978346620.db2.gz FZWVMBGGXJLMMO-GOEBONIOSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643633 978468807 /nfs/dbraw/zinc/46/88/07/978468807.db2.gz UOYRONZIMPSNPR-KGLIPLIRSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001210674269 978525903 /nfs/dbraw/zinc/52/59/03/978525903.db2.gz QKWYEYCEKFMHIH-UONOGXRCSA-N 2 0 321.425 -0.451 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674454 978526425 /nfs/dbraw/zinc/52/64/25/978526425.db2.gz WOAIWXQATREMQZ-CQSZACIVSA-N 2 0 320.437 -0.035 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674559 978526445 /nfs/dbraw/zinc/52/64/45/978526445.db2.gz ZDHSZGIKZODBBI-AWEZNQCLSA-N 2 0 318.421 -0.588 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211268265 978562946 /nfs/dbraw/zinc/56/29/46/978562946.db2.gz HMDZGSCOYFYIOR-AWEZNQCLSA-N 2 0 308.426 -0.343 20 30 DBEDRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214860993 978754020 /nfs/dbraw/zinc/75/40/20/978754020.db2.gz DORWYGKCPBCSBN-TZMCWYRMSA-N 2 0 321.425 -0.453 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214855891 978754290 /nfs/dbraw/zinc/75/42/90/978754290.db2.gz QTCYKJGGCWRCHN-UXIGCNINSA-N 2 0 321.425 -0.597 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855370 978754497 /nfs/dbraw/zinc/75/44/97/978754497.db2.gz CTWYZLVCQGFXFM-XPKDYRNWSA-N 2 0 320.437 -0.488 20 30 DBEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215453728 978769808 /nfs/dbraw/zinc/76/98/08/978769808.db2.gz PETDCFZNOAJWSZ-TZMCWYRMSA-N 2 0 321.425 -0.596 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458989 978771342 /nfs/dbraw/zinc/77/13/42/978771342.db2.gz SLFNZMDZUIMJRS-HZSPNIEDSA-N 2 0 308.426 -0.488 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757734 978793581 /nfs/dbraw/zinc/79/35/81/978793581.db2.gz KIZRKHZCNYXNJC-QLFBSQMISA-N 2 0 320.437 -0.343 20 30 DBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001218596078 978835435 /nfs/dbraw/zinc/83/54/35/978835435.db2.gz URQIAPWTEAXUPM-QMMMGPOBSA-N 2 0 302.342 -0.542 20 30 DBEDRP C#Cc1cnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C#C)n1 ZINC001218657735 978842892 /nfs/dbraw/zinc/84/28/92/978842892.db2.gz RKZGAUPFFOUNNI-CYBMUJFWSA-N 2 0 312.377 -0.872 20 30 DBEDRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001219651880 978987288 /nfs/dbraw/zinc/98/72/88/978987288.db2.gz YRYSQHKESXPVPK-KXNHARMFSA-N 2 0 319.427 -0.945 20 30 DBEDRP COC(=O)[C@H](CS)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220036015 979072629 /nfs/dbraw/zinc/07/26/29/979072629.db2.gz IVGSAWCHHUBIRU-ZJUUUORDSA-N 2 0 301.412 -0.552 20 30 DBEDRP C[NH2+]CCNC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH2+]CC1 ZINC001220054687 979080072 /nfs/dbraw/zinc/08/00/72/979080072.db2.gz NQLFZZWBQVSKKY-HNNXBMFYSA-N 2 0 301.394 -0.160 20 30 DBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)OCC ZINC001220571461 979234834 /nfs/dbraw/zinc/23/48/34/979234834.db2.gz RTFXVWOACFDAPP-NRUUGDAUSA-N 2 0 301.412 -0.370 20 30 DBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220572748 979236557 /nfs/dbraw/zinc/23/65/57/979236557.db2.gz ADLKZAVPIKWCJT-KFNAQCHYSA-N 2 0 324.425 -0.639 20 30 DBEDRP N=C(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccc(C(N)=O)cc1 ZINC001220643339 979253345 /nfs/dbraw/zinc/25/33/45/979253345.db2.gz BBXZURUFRFKGNY-GFCCVEGCSA-N 2 0 303.366 -0.656 20 30 DBEDRP CNC(CCCC[NH3+])=C(O)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001220643824 979254185 /nfs/dbraw/zinc/25/41/85/979254185.db2.gz UWJLUEVMTZJASC-LBPRGKRZSA-N 2 0 305.382 -0.266 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOC)C[C@@H]2O)CC1 ZINC001221066228 979358522 /nfs/dbraw/zinc/35/85/22/979358522.db2.gz MHNJGFHYERAPNK-CVEARBPZSA-N 2 0 323.437 -0.471 20 30 DBEDRP C=CC[C@@](C)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OC ZINC001221381910 979411162 /nfs/dbraw/zinc/41/11/62/979411162.db2.gz MIOCYKSTOCLZHI-IUODEOHRSA-N 2 0 312.414 -0.639 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224583064 979577194 /nfs/dbraw/zinc/57/71/94/979577194.db2.gz JYGOUYUDHXKLHD-HNNXBMFYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228542 979594589 /nfs/dbraw/zinc/59/45/89/979594589.db2.gz PALNJICAUBIGJY-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC001326261538 979732791 /nfs/dbraw/zinc/73/27/91/979732791.db2.gz RRKSOKWJZGYKHM-UONOGXRCSA-N 2 0 323.441 -0.253 20 30 DBEDRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)NCC#N ZINC001331599601 979890833 /nfs/dbraw/zinc/89/08/33/979890833.db2.gz YXWLLMZITIGGHF-AWEZNQCLSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)CC1 ZINC001488880659 1014628387 /nfs/dbraw/zinc/62/83/87/1014628387.db2.gz UAKUWLDFQUNSDD-CTYIDZIISA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC001346373498 980136189 /nfs/dbraw/zinc/13/61/89/980136189.db2.gz GHIPIXQZNRNAAV-LSDHHAIUSA-N 2 0 309.458 -0.125 20 30 DBEDRP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)CC(=O)NCC#N)CCC1 ZINC001490205895 1014892250 /nfs/dbraw/zinc/89/22/50/1014892250.db2.gz PTUQOFJOMCLKMW-UHFFFAOYSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270353 1014914579 /nfs/dbraw/zinc/91/45/79/1014914579.db2.gz LSOUNTPVSYIDGA-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490356635 1014942715 /nfs/dbraw/zinc/94/27/15/1014942715.db2.gz JOKPLPZVWLUIKY-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001490956387 1015171820 /nfs/dbraw/zinc/17/18/20/1015171820.db2.gz GVYKQHQXEZGKEJ-JYJNAYRXSA-N 2 0 323.437 -0.159 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001491171247 1015267999 /nfs/dbraw/zinc/26/79/99/1015267999.db2.gz VGRMXOAKTZYYJU-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001491171245 1015269290 /nfs/dbraw/zinc/26/92/90/1015269290.db2.gz VGRMXOAKTZYYJU-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC(=O)NCC#N ZINC001491455503 1015431083 /nfs/dbraw/zinc/43/10/83/1015431083.db2.gz HANKKLQVGHEBPH-ZDUSSCGKSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NCC#N ZINC001491684501 1015569114 /nfs/dbraw/zinc/56/91/14/1015569114.db2.gz WAHFOJCBRLDPQK-CYBMUJFWSA-N 2 0 309.414 -0.404 20 30 DBEDRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NCC#N ZINC001491684504 1015569638 /nfs/dbraw/zinc/56/96/38/1015569638.db2.gz WAHFOJCBRLDPQK-ZDUSSCGKSA-N 2 0 309.414 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492078006 1015708913 /nfs/dbraw/zinc/70/89/13/1015708913.db2.gz NBTBXZIWDOECLO-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC001492129275 1015721054 /nfs/dbraw/zinc/72/10/54/1015721054.db2.gz NABJIVTZNOGYIF-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1CC(=O)NCC#N)[NH+](C)C ZINC001493108391 1015850298 /nfs/dbraw/zinc/85/02/98/1015850298.db2.gz AWGIIUNYBXAJEF-ZFWWWQNUSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495095841 1016549448 /nfs/dbraw/zinc/54/94/48/1016549448.db2.gz XPLADNBTWZGFSZ-ZDUSSCGKSA-N 2 0 306.410 -0.684 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001419715397 1004951042 /nfs/dbraw/zinc/95/10/42/1004951042.db2.gz UFAHTGIKMPNGPA-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479285678 1010235226 /nfs/dbraw/zinc/23/52/26/1010235226.db2.gz TZGUVOXNXCPRAO-MJBXVCDLSA-N 2 0 308.426 -0.133 20 30 DBEDRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001480119001 1010540256 /nfs/dbraw/zinc/54/02/56/1010540256.db2.gz UWNSUMMDNULMPY-AWEZNQCLSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497205397 1017309844 /nfs/dbraw/zinc/30/98/44/1017309844.db2.gz IQHLFGBFEUPNEJ-ZDUSSCGKSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480524102 1010678464 /nfs/dbraw/zinc/67/84/64/1010678464.db2.gz KFZYSSIMICSUIZ-QWHCGFSZSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480524103 1010679624 /nfs/dbraw/zinc/67/96/24/1010679624.db2.gz KFZYSSIMICSUIZ-STQMWFEESA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480595844 1010708580 /nfs/dbraw/zinc/70/85/80/1010708580.db2.gz DWFCDUBZFUNDEL-GOEBONIOSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230967 1010867215 /nfs/dbraw/zinc/86/72/15/1010867215.db2.gz KVEONPMBUWBZES-HIFRSBDPSA-N 2 0 320.437 -0.486 20 30 DBEDRP CCN1CCO[C@@H](C(=O)NCC2CN(CC#CCOC)C2)C1 ZINC001481660624 1010955077 /nfs/dbraw/zinc/95/50/77/1010955077.db2.gz GJKRRIORXNLJJG-OAHLLOKOSA-N 2 0 309.410 -0.595 20 30 DBEDRP COCC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001481719579 1010978165 /nfs/dbraw/zinc/97/81/65/1010978165.db2.gz IEHQTFZIHKZWLY-GJZGRUSLSA-N 2 0 309.410 -0.501 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001481818428 1011007635 /nfs/dbraw/zinc/00/76/35/1011007635.db2.gz ITAOORLRCWMPBM-ZDUSSCGKSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481824289 1011008615 /nfs/dbraw/zinc/00/86/15/1011008615.db2.gz SAWNYPHBJKCFDN-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NCC#N ZINC001481829880 1011010745 /nfs/dbraw/zinc/01/07/45/1011010745.db2.gz ZFMWBWWPHQOFEN-CYBMUJFWSA-N 2 0 321.425 -0.261 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329611 1011120064 /nfs/dbraw/zinc/12/00/64/1011120064.db2.gz CRDYJKPLIIPJPT-STQMWFEESA-N 2 0 309.414 -0.596 20 30 DBEDRP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482391462 1011139703 /nfs/dbraw/zinc/13/97/03/1011139703.db2.gz SMGFSXSJNPOPCI-ZIAGYGMSSA-N 2 0 323.441 -0.159 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483010712 1011596647 /nfs/dbraw/zinc/59/66/47/1011596647.db2.gz MUZPEXWIMXYGPB-RDFMZFSFSA-N 2 0 321.425 -0.239 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483046930 1011637642 /nfs/dbraw/zinc/63/76/42/1011637642.db2.gz JCWPYIDVAQCODY-WJNHHXLDSA-N 2 0 320.437 -0.129 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483046918 1011639817 /nfs/dbraw/zinc/63/98/17/1011639817.db2.gz JCWPYIDVAQCODY-BEWKBBBFSA-N 2 0 320.437 -0.129 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483127427 1011707022 /nfs/dbraw/zinc/70/70/22/1011707022.db2.gz QACCUIXZGCLCCF-ZIAGYGMSSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483466802 1011882597 /nfs/dbraw/zinc/88/25/97/1011882597.db2.gz PZWPJVLHQVLXQP-RBSFLKMASA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001483933872 1012218612 /nfs/dbraw/zinc/21/86/12/1012218612.db2.gz CTMYYQHAIUKWHD-LSDHHAIUSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001484415207 1012616144 /nfs/dbraw/zinc/61/61/44/1012616144.db2.gz SDFZTEQIMOYQFT-GASCZTMLSA-N 2 0 318.421 -0.778 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001484532834 1012761303 /nfs/dbraw/zinc/76/13/03/1012761303.db2.gz OFIMJSPKWLFDQU-UONOGXRCSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001484886865 1012887942 /nfs/dbraw/zinc/88/79/42/1012887942.db2.gz CBGFECBFEINCSE-QWHCGFSZSA-N 2 0 321.425 -0.453 20 30 DBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484906042 1012894199 /nfs/dbraw/zinc/89/41/99/1012894199.db2.gz JAOWAOFQVRRZNG-OLZOCXBDSA-N 2 0 307.398 -0.842 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001485041594 1012959311 /nfs/dbraw/zinc/95/93/11/1012959311.db2.gz XNZYKQRDAIOXNO-KBPBESRZSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001497825051 1017515313 /nfs/dbraw/zinc/51/53/13/1017515313.db2.gz HJLKAQDPJRVWOV-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001497829787 1017515774 /nfs/dbraw/zinc/51/57/74/1017515774.db2.gz QTAWSUYICVYHMP-OLZOCXBDSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001498605609 1017836241 /nfs/dbraw/zinc/83/62/41/1017836241.db2.gz AENIIBRXZZTZJU-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001499243446 1018039441 /nfs/dbraw/zinc/03/94/41/1018039441.db2.gz HCYGWSOKVAOHRE-AWEZNQCLSA-N 2 0 320.437 -0.151 20 30 DBEDRP CN1CCO[C@H](C(=O)NCC[NH+]2CCC(NCC#N)CC2)C1 ZINC001501251894 1018611826 /nfs/dbraw/zinc/61/18/26/1018611826.db2.gz XXJCXRNDDGLTLK-AWEZNQCLSA-N 2 0 309.414 -0.989 20 30 DBEDRP COCC#CC[NH2+]CCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001501493133 1018800020 /nfs/dbraw/zinc/80/00/20/1018800020.db2.gz RQEHOGLQVQYBCG-HNNXBMFYSA-N 2 0 311.426 -0.612 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001502072525 1018973725 /nfs/dbraw/zinc/97/37/25/1018973725.db2.gz OZTHSRAVYZPCLB-OAHLLOKOSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001502568254 1019092056 /nfs/dbraw/zinc/09/20/56/1019092056.db2.gz PFQFKUSCWZXYJO-NVXWUHKLSA-N 2 0 305.422 -0.096 20 30 DBEDRP C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC001574948191 1019322529 /nfs/dbraw/zinc/32/25/29/1019322529.db2.gz XBAQLRHOQOSXJV-LBPRGKRZSA-N 2 0 303.428 -0.626 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NCCNC(=O)CC[N@@H+](C)CC ZINC001575416540 1019567187 /nfs/dbraw/zinc/56/71/87/1019567187.db2.gz XDRMCTPRZPPGAD-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP 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304.398 -0.100 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070209351 820425361 /nfs/dbraw/zinc/42/53/61/820425361.db2.gz ZUOBSCSZHWNJSM-QLFBSQMISA-N 2 0 316.409 -0.407 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070267774 820438802 /nfs/dbraw/zinc/43/88/02/820438802.db2.gz PRWHCBLLPXZVKS-CABCVRRESA-N 2 0 316.409 -0.405 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327143 820444993 /nfs/dbraw/zinc/44/49/93/820444993.db2.gz UQLWISPWTFDIGN-MCIONIFRSA-N 2 0 302.382 -0.796 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563401 820498932 /nfs/dbraw/zinc/49/89/32/820498932.db2.gz BKJCZDMOQXPSOZ-OFQRWUPVSA-N 2 0 315.421 -0.111 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001073899510 821265766 /nfs/dbraw/zinc/26/57/66/821265766.db2.gz VVSDOSPWMDSMJW-INIZCTEOSA-N 2 0 323.437 -0.469 20 30 DBEDRP 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COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161487733 833025877 /nfs/dbraw/zinc/02/58/77/833025877.db2.gz ICMJLNZOAGITLU-NSHDSACASA-N 2 0 306.366 -0.899 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001274279171 833055031 /nfs/dbraw/zinc/05/50/31/833055031.db2.gz DRGIYXPHSYTVEG-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532701 826496675 /nfs/dbraw/zinc/49/66/75/826496675.db2.gz AWBNJXPICGATKI-UHFFFAOYSA-N 2 0 311.426 -0.517 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001274579250 833104005 /nfs/dbraw/zinc/10/40/05/833104005.db2.gz TWMJTUFWFSQGFR-LAWSMPECSA-N 2 0 308.426 -0.109 20 30 DBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050059 826797103 /nfs/dbraw/zinc/79/71/03/826797103.db2.gz BLHDFVNABZSLRQ-CVEARBPZSA-N 2 0 323.437 -0.328 20 30 DBEDRP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074161 826826774 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323.441 -0.350 20 30 DBEDRP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001275284893 833167230 /nfs/dbraw/zinc/16/72/30/833167230.db2.gz VFENFVICEZAHRG-IYXRBSQSSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001275284603 833167638 /nfs/dbraw/zinc/16/76/38/833167638.db2.gz NHZMTFZBOOTYDI-NFOMZHRRSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163822356 833170896 /nfs/dbraw/zinc/17/08/96/833170896.db2.gz ZWNIOMSKZIGDIW-CQSZACIVSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163822355 833171079 /nfs/dbraw/zinc/17/10/79/833171079.db2.gz ZWNIOMSKZIGDIW-AWEZNQCLSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC001275459827 833181080 /nfs/dbraw/zinc/18/10/80/833181080.db2.gz WGTRBXLMMXWFNI-DZGCQCFKSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C)CC1 ZINC001275459024 833181175 /nfs/dbraw/zinc/18/11/75/833181175.db2.gz JWDNEUGCZHIKCT-AWEZNQCLSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)[NH+](C)C ZINC001106308874 827649257 /nfs/dbraw/zinc/64/92/57/827649257.db2.gz FPDNEEOTLYRORZ-MGPQQGTHSA-N 2 0 323.441 -0.350 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001276012781 833234520 /nfs/dbraw/zinc/23/45/20/833234520.db2.gz SWRXTTQTEPDTJQ-UKRRQHHQSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N ZINC001276012136 833235142 /nfs/dbraw/zinc/23/51/42/833235142.db2.gz PMMDHWBLNZFALI-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N ZINC001276012392 833235212 /nfs/dbraw/zinc/23/52/12/833235212.db2.gz PMMDHWBLNZFALI-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677777 833277809 /nfs/dbraw/zinc/27/78/09/833277809.db2.gz MWFXIAKJIGLPBM-UONOGXRCSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCCC1 ZINC001167610550 833305136 /nfs/dbraw/zinc/30/51/36/833305136.db2.gz SXVARQZEYVOJCE-AWEZNQCLSA-N 2 0 323.441 -0.013 20 30 DBEDRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167814843 833311149 /nfs/dbraw/zinc/31/11/49/833311149.db2.gz HBCCPOSYLGBFCM-UHFFFAOYSA-N 2 0 323.441 -0.156 20 30 DBEDRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001169128050 833335169 /nfs/dbraw/zinc/33/51/69/833335169.db2.gz ZJOTZICVXOELAK-UHFFFAOYSA-N 2 0 309.414 -0.546 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001117532327 828989454 /nfs/dbraw/zinc/98/94/54/828989454.db2.gz BUYAQCZQHYVLMU-JKSUJKDBSA-N 2 0 305.422 -0.001 20 30 DBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169798433 833344790 /nfs/dbraw/zinc/34/47/90/833344790.db2.gz PBNFMJDFJWKCMO-KGLIPLIRSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171161523 833367214 /nfs/dbraw/zinc/36/72/14/833367214.db2.gz NUPPQXNMOKWALH-KGLIPLIRSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303627 833368883 /nfs/dbraw/zinc/36/88/83/833368883.db2.gz ULGRFMCLWPFDBM-ZDUSSCGKSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171353961 833368997 /nfs/dbraw/zinc/36/89/97/833368997.db2.gz FTBRQSSFCQZNCY-UHFFFAOYSA-N 2 0 317.393 -0.394 20 30 DBEDRP C#CCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001119249922 829240431 /nfs/dbraw/zinc/24/04/31/829240431.db2.gz HMPLKCIJCSLRRO-UHFFFAOYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)CC[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC001120503746 829385353 /nfs/dbraw/zinc/38/53/53/829385353.db2.gz XWJGNZCOSNTGEG-UHFFFAOYSA-N 2 0 308.426 -0.292 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563950 833408991 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DBEDRP CC(C)(C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCC1 ZINC001127317870 830001830 /nfs/dbraw/zinc/00/18/30/830001830.db2.gz XZOZPOBAUSLBHW-UHFFFAOYSA-N 2 0 309.414 -0.404 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128528405 830093951 /nfs/dbraw/zinc/09/39/51/830093951.db2.gz MDNNBKUIIFQWKO-LBPRGKRZSA-N 2 0 302.394 -0.326 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362571 830175594 /nfs/dbraw/zinc/17/55/94/830175594.db2.gz ADRPVAIEFSIOOT-MRXNPFEDSA-N 2 0 323.437 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429207 830180622 /nfs/dbraw/zinc/18/06/22/830180622.db2.gz DPYIZOILHHYDOC-OAHLLOKOSA-N 2 0 320.437 -0.151 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1=O ZINC001129443034 830181535 /nfs/dbraw/zinc/18/15/35/830181535.db2.gz GXEFSQNEOKCPEZ-KBPBESRZSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129845925 830217556 /nfs/dbraw/zinc/21/75/56/830217556.db2.gz KTUVZELVZXXHNT-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910134 830227385 /nfs/dbraw/zinc/22/73/85/830227385.db2.gz FGCDWXKGCZWTRK-KFWWJZLASA-N 2 0 318.425 -0.017 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130009323 830246153 /nfs/dbraw/zinc/24/61/53/830246153.db2.gz JGHSZFOWEKBXJE-ILXRZTDVSA-N 2 0 318.425 -0.017 20 30 DBEDRP C=CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086154 830261466 /nfs/dbraw/zinc/26/14/66/830261466.db2.gz NTIGQGUNXLSUBN-KGLIPLIRSA-N 2 0 322.413 -0.616 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107001 830264644 /nfs/dbraw/zinc/26/46/44/830264644.db2.gz CUECAOIOWYAAHE-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130300151 830293867 /nfs/dbraw/zinc/29/38/67/830293867.db2.gz JLJJHTVYMNJDCK-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893405 830711215 /nfs/dbraw/zinc/71/12/15/830711215.db2.gz PHKBQZYNDUWEEJ-IHRRRGAJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983870 830726581 /nfs/dbraw/zinc/72/65/81/830726581.db2.gz NXBHBYWCCFBYRB-UHFFFAOYSA-N 2 0 308.382 -0.037 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001133288188 830763274 /nfs/dbraw/zinc/76/32/74/830763274.db2.gz RUHNBQSVRRRBNO-AWEZNQCLSA-N 2 0 308.426 -0.179 20 30 DBEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294777 830763911 /nfs/dbraw/zinc/76/39/11/830763911.db2.gz TWQTYBHBQHLKKR-NSHDSACASA-N 2 0 313.402 -0.956 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093141 831009487 /nfs/dbraw/zinc/00/94/87/831009487.db2.gz ITYIUGGQCGIYBG-OLZOCXBDSA-N 2 0 307.398 -0.651 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095656 831010947 /nfs/dbraw/zinc/01/09/47/831010947.db2.gz MYEUARJKBYBGLE-ZIAGYGMSSA-N 2 0 306.410 -0.542 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114975 831012191 /nfs/dbraw/zinc/01/21/91/831012191.db2.gz QZOMNHVPJDKPMQ-UHFFFAOYSA-N 2 0 322.413 -0.934 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182615708 833683665 /nfs/dbraw/zinc/68/36/65/833683665.db2.gz NBXBQNMSPDHSKU-CABCVRRESA-N 2 0 320.437 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377573 831063251 /nfs/dbraw/zinc/06/32/51/831063251.db2.gz ATNICQYFTQVFLT-UONOGXRCSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266840 833711351 /nfs/dbraw/zinc/71/13/51/833711351.db2.gz GMRBSTSDXICBOX-HIFRSBDPSA-N 2 0 306.410 -0.734 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135858503 831130784 /nfs/dbraw/zinc/13/07/84/831130784.db2.gz YVHYTLGLMRDYRX-KBPBESRZSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135858504 831131160 /nfs/dbraw/zinc/13/11/60/831131160.db2.gz YVHYTLGLMRDYRX-KGLIPLIRSA-N 2 0 310.442 -0.050 20 30 DBEDRP C=C(C[NH+](C)C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001136833313 831166759 /nfs/dbraw/zinc/16/67/59/831166759.db2.gz LCVNFKPTNJFJAE-UHFFFAOYSA-N 2 0 322.413 -0.383 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146592294 831285335 /nfs/dbraw/zinc/28/53/35/831285335.db2.gz IZRFFDIOIIXJMP-STQMWFEESA-N 2 0 311.430 -0.161 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718904 831292424 /nfs/dbraw/zinc/29/24/24/831292424.db2.gz KRFNDYGCSWAQIY-UHFFFAOYSA-N 2 0 313.402 -0.954 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185071956 833779664 /nfs/dbraw/zinc/77/96/64/833779664.db2.gz CDDGWFZQOYTSKV-CABCVRRESA-N 2 0 322.453 -0.238 20 30 DBEDRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147824507 831409963 /nfs/dbraw/zinc/40/99/63/831409963.db2.gz KPDPFTQSDFFMNE-CHWSQXEVSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCN2CCCC2=O)CC1 ZINC001152330355 831740695 /nfs/dbraw/zinc/74/06/95/831740695.db2.gz MMRWFECKRDUKSS-UHFFFAOYSA-N 2 0 320.437 -0.340 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NCC=C)CC1 ZINC001152330450 831740767 /nfs/dbraw/zinc/74/07/67/831740767.db2.gz NJNPMZGCOPBIAN-CQSZACIVSA-N 2 0 320.437 -0.272 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001152330265 831740845 /nfs/dbraw/zinc/74/08/45/831740845.db2.gz KISDJRASKFXNEK-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC)CC1 ZINC001152335044 831742177 /nfs/dbraw/zinc/74/21/77/831742177.db2.gz XPAMRJLCSXPXJT-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccnn2C)CC1 ZINC001152334328 831742209 /nfs/dbraw/zinc/74/22/09/831742209.db2.gz AMUHDIUNHSXBAM-UHFFFAOYSA-N 2 0 303.410 -0.029 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152384841 831745127 /nfs/dbraw/zinc/74/51/27/831745127.db2.gz ZSSYROLCRIJYNX-UHFFFAOYSA-N 2 0 316.405 -0.183 20 30 DBEDRP CC(C)C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C(=O)NO ZINC001157303540 832032259 /nfs/dbraw/zinc/03/22/59/832032259.db2.gz JCUNPXFTHFGFEB-RYUDHWBXSA-N 2 0 312.414 -0.103 20 30 DBEDRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001157842388 832065979 /nfs/dbraw/zinc/06/59/79/832065979.db2.gz KXKVRTMWFLRZGA-YFKTTZPYSA-N 2 0 319.427 -0.721 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157886534 832070049 /nfs/dbraw/zinc/07/00/49/832070049.db2.gz IMHWNOWHMBCCIP-ZDUSSCGKSA-N 2 0 309.414 -0.405 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039749 832085727 /nfs/dbraw/zinc/08/57/27/832085727.db2.gz UBVZBRAYQONALR-KGLIPLIRSA-N 2 0 321.425 -0.404 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486570 832117203 /nfs/dbraw/zinc/11/72/03/832117203.db2.gz OHYHHNPXWCCRIL-KGLIPLIRSA-N 2 0 324.425 -0.752 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001269115204 832141637 /nfs/dbraw/zinc/14/16/37/832141637.db2.gz HRDKNFXNLLCECH-DZGCQCFKSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001269115208 832141693 /nfs/dbraw/zinc/14/16/93/832141693.db2.gz HRDKNFXNLLCECH-UKRRQHHQSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001269136124 832147748 /nfs/dbraw/zinc/14/77/48/832147748.db2.gz UXEHOCOAKQILDD-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159148386 832159857 /nfs/dbraw/zinc/15/98/57/832159857.db2.gz FEDRHHLBAQTEQP-CYBMUJFWSA-N 2 0 314.405 -0.488 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001269428305 832431969 /nfs/dbraw/zinc/43/19/69/832431969.db2.gz KSVUZBAPUFYWRN-KBPBESRZSA-N 2 0 318.421 -0.447 20 30 DBEDRP C[C@H](CC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1)n1ccnc1 ZINC001269496830 832441852 /nfs/dbraw/zinc/44/18/52/832441852.db2.gz BWTZEBOSCIXAFM-GFCCVEGCSA-N 2 0 318.381 -0.288 20 30 DBEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001270259690 832517424 /nfs/dbraw/zinc/51/74/24/832517424.db2.gz SARZLFKDBZPHOC-UKRRQHHQSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001270506049 832541058 /nfs/dbraw/zinc/54/10/58/832541058.db2.gz AAFQTLGEIPJHAA-KBPBESRZSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271145295 832628486 /nfs/dbraw/zinc/62/84/86/832628486.db2.gz LOXGRPVGVXTQOD-RDJZCZTQSA-N 2 0 305.422 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CC#CC)C2)CC1 ZINC001271227293 832643408 /nfs/dbraw/zinc/64/34/08/832643408.db2.gz DRRQHKFNLPDYOH-GOSISDBHSA-N 2 0 317.433 -0.092 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277020321 833920265 /nfs/dbraw/zinc/92/02/65/833920265.db2.gz OBCBPQDGEYRMFL-STQMWFEESA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001277075339 833924109 /nfs/dbraw/zinc/92/41/09/833924109.db2.gz VKLXNTLHHCPYFD-IHRRRGAJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159328640 832805492 /nfs/dbraw/zinc/80/54/92/832805492.db2.gz VABCAKZDYHDTMX-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)OC)CC1 ZINC001272582878 832808080 /nfs/dbraw/zinc/80/80/80/832808080.db2.gz CIXNCGYTQAZYMR-UKRRQHHQSA-N 2 0 311.426 -0.567 20 30 DBEDRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001159846724 832851766 /nfs/dbraw/zinc/85/17/66/832851766.db2.gz RZUMLBQQUKMWRG-CQSZACIVSA-N 2 0 323.441 -0.300 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932978 832861846 /nfs/dbraw/zinc/86/18/46/832861846.db2.gz XGLADDZBNSDWHK-GXTWGEPZSA-N 2 0 308.426 -0.440 20 30 DBEDRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001160698623 832935475 /nfs/dbraw/zinc/93/54/75/832935475.db2.gz NTLWZEHRRCBKCX-TUAOUCFPSA-N 2 0 319.427 -0.849 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160825958 832947744 /nfs/dbraw/zinc/94/77/44/832947744.db2.gz CTWGQCJYWAYVAM-UHFFFAOYSA-N 2 0 321.425 -0.402 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867967 832955255 /nfs/dbraw/zinc/95/52/55/832955255.db2.gz JCNIBEPRDAZFPW-KGLIPLIRSA-N 2 0 321.425 -0.261 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001276702638 833451416 /nfs/dbraw/zinc/45/14/16/833451416.db2.gz HYOHMMNPLKGRCM-ZDUSSCGKSA-N 2 0 307.398 -0.794 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001178355900 833502721 /nfs/dbraw/zinc/50/27/21/833502721.db2.gz DAMQXOKILOKOPO-RWMBFGLXSA-N 2 0 307.398 -0.701 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461402 833548191 /nfs/dbraw/zinc/54/81/91/833548191.db2.gz JUYBSWJDZHGVTE-UHFFFAOYSA-N 2 0 310.442 -0.046 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179476097 833548292 /nfs/dbraw/zinc/54/82/92/833548292.db2.gz JVWIWQRIPGMQCW-JSGCOSHPSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534217 833549793 /nfs/dbraw/zinc/54/97/93/833549793.db2.gz BDSABSYEXZWMAP-ILXRZTDVSA-N 2 0 320.437 -0.201 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124324 833569978 /nfs/dbraw/zinc/56/99/78/833569978.db2.gz HCTBPCULZDRDTP-XQQFMLRXSA-N 2 0 307.398 -0.843 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180132232 833570568 /nfs/dbraw/zinc/57/05/68/833570568.db2.gz ZAYVBTTVLPRFDN-KKUMJFAQSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180259487 833576718 /nfs/dbraw/zinc/57/67/18/833576718.db2.gz IOJMKXOGWOARQQ-OAHLLOKOSA-N 2 0 322.453 -0.046 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274616 833578562 /nfs/dbraw/zinc/57/85/62/833578562.db2.gz NIAZRXLDSQSMIE-UHFFFAOYSA-N 2 0 323.441 -0.012 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106417 833903067 /nfs/dbraw/zinc/90/30/67/833903067.db2.gz GMCWRNMJJGTMNI-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001188091808 833964724 /nfs/dbraw/zinc/96/47/24/833964724.db2.gz OJLVZNIHTJAGHQ-OAHLLOKOSA-N 2 0 320.437 -0.390 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277676970 833982826 /nfs/dbraw/zinc/98/28/26/833982826.db2.gz FBACIFKYXALOKI-CABCVRRESA-N 2 0 320.437 -0.343 20 30 DBEDRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C 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FLQUBNIRKXNFPY-KFWWJZLASA-N 2 0 311.426 -0.310 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194293681 834588308 /nfs/dbraw/zinc/58/83/08/834588308.db2.gz ILBOKCQLLKIWIT-GJZGRUSLSA-N 2 0 322.453 -0.003 20 30 DBEDRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001263835061 834988995 /nfs/dbraw/zinc/98/89/95/834988995.db2.gz DJSWCCODOLRONH-BETUJISGSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001264025778 835001342 /nfs/dbraw/zinc/00/13/42/835001342.db2.gz XEXJLCBJEINMCV-LBPRGKRZSA-N 2 0 303.366 -0.385 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001264408653 835028587 /nfs/dbraw/zinc/02/85/87/835028587.db2.gz PMOJPZKVPMPMBK-SOUVJXGZSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001264431277 835031312 /nfs/dbraw/zinc/03/13/12/835031312.db2.gz XKZUEUJEBXJVQJ-CTYIDZIISA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788424 835056217 /nfs/dbraw/zinc/05/62/17/835056217.db2.gz PWFRCJVYTUCJAY-CQSZACIVSA-N 2 0 306.410 -0.589 20 30 DBEDRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001265128637 835096674 /nfs/dbraw/zinc/09/66/74/835096674.db2.gz XVJASVZFFPQIOD-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC001265127831 835097557 /nfs/dbraw/zinc/09/75/57/835097557.db2.gz KMYZGPHCYIDJJE-AWEZNQCLSA-N 2 0 323.441 -0.061 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265509144 835148720 /nfs/dbraw/zinc/14/87/20/835148720.db2.gz UNLOXVTWCCKSBX-HDJSIYSDSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265566945 835154123 /nfs/dbraw/zinc/15/41/23/835154123.db2.gz QCEMCPTWPDAQIA-MQYQWHSLSA-N 2 0 308.426 -0.299 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265744619 835167192 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DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202503427 835252327 /nfs/dbraw/zinc/25/23/27/835252327.db2.gz MWKGLHLQNVEVPB-DZGCQCFKSA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202496014 835252366 /nfs/dbraw/zinc/25/23/66/835252366.db2.gz MKLWQYJFINYPFU-AWEZNQCLSA-N 2 0 320.437 -0.342 20 30 DBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349392 835293150 /nfs/dbraw/zinc/29/31/50/835293150.db2.gz MMZLEEZWFHRLOP-UHFFFAOYSA-N 2 0 319.409 -0.697 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203431388 835295909 /nfs/dbraw/zinc/29/59/09/835295909.db2.gz FJLVJXXTYAXEHO-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705341 835306068 /nfs/dbraw/zinc/30/60/68/835306068.db2.gz VEZCNFVXGRHBTL-UHFFFAOYSA-N 2 0 306.410 -0.588 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714100 835306146 /nfs/dbraw/zinc/30/61/46/835306146.db2.gz FTAHFXGKZKGCCT-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266547672 835334683 /nfs/dbraw/zinc/33/46/83/835334683.db2.gz YANJSKBXMWHTAY-DZGCQCFKSA-N 2 0 308.426 -0.488 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266551279 835335278 /nfs/dbraw/zinc/33/52/78/835335278.db2.gz OVEHZXIVPRAJBK-GJZGRUSLSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266725434 835370069 /nfs/dbraw/zinc/37/00/69/835370069.db2.gz HRHNCNOBISAMEW-MCIONIFRSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266752070 835376262 /nfs/dbraw/zinc/37/62/62/835376262.db2.gz NRJIJCSVPMTKBR-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206138065 835381886 /nfs/dbraw/zinc/38/18/86/835381886.db2.gz FYCGIJRMBZQJTM-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206794154 835416479 /nfs/dbraw/zinc/41/64/79/835416479.db2.gz JKRMVWNRPRLJNW-UHFFFAOYSA-N 2 0 323.441 -0.204 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267023360 835431052 /nfs/dbraw/zinc/43/10/52/835431052.db2.gz XFDMASJRWCXDSV-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001267046447 835435841 /nfs/dbraw/zinc/43/58/41/835435841.db2.gz DLHLVDZHRBDHBN-CHWSQXEVSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267069521 835439239 /nfs/dbraw/zinc/43/92/39/835439239.db2.gz YKKHVJZPUOGNDE-ZIAGYGMSSA-N 2 0 306.410 -0.874 20 30 DBEDRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1 ZINC001267416093 835507831 /nfs/dbraw/zinc/50/78/31/835507831.db2.gz CLUWMURMEQRKRP-AWEZNQCLSA-N 2 0 323.441 -0.204 20 30 DBEDRP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267571891 835532366 /nfs/dbraw/zinc/53/23/66/835532366.db2.gz UPZANERBGFYHTM-HUUCEWRRSA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267594750 835538910 /nfs/dbraw/zinc/53/89/10/835538910.db2.gz BRTCUIOPNBDCHA-HUUCEWRRSA-N 2 0 320.437 -0.532 20 30 DBEDRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC(=O)NCC#N ZINC001267831969 835604984 /nfs/dbraw/zinc/60/49/84/835604984.db2.gz VXLCZGCKXFPAPQ-UONOGXRCSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CCC1 ZINC001267958043 835612986 /nfs/dbraw/zinc/61/29/86/835612986.db2.gz SVHHFHQUAZRNMF-CYBMUJFWSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC(=O)NCC#N ZINC001267985541 835616216 /nfs/dbraw/zinc/61/62/16/835616216.db2.gz FNOBQOHXNNBYMP-JSGCOSHPSA-N 2 0 321.425 -0.690 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268094320 835632067 /nfs/dbraw/zinc/63/20/67/835632067.db2.gz NRBIYZROSZQALJ-CYBMUJFWSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NCCC)CC1 ZINC001268673052 835772718 /nfs/dbraw/zinc/77/27/18/835772718.db2.gz AFAGBBCDEVNTMG-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C=CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001485594949 1013288781 /nfs/dbraw/zinc/28/87/81/1013288781.db2.gz RPTBMWVHATZMKN-XQLPTFJDSA-N 2 0 320.437 -0.323 20 30 DBEDRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001485686015 1013323921 /nfs/dbraw/zinc/32/39/21/1013323921.db2.gz FFUIAEQSPVSJOD-JOCQHMNTSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485915152 1013428588 /nfs/dbraw/zinc/42/85/88/1013428588.db2.gz SKYBBYDUEWFHGC-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207688052 978235550 /nfs/dbraw/zinc/23/55/50/978235550.db2.gz LKEMCEBFMCKXJQ-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207688059 978236476 /nfs/dbraw/zinc/23/64/76/978236476.db2.gz LKEMCEBFMCKXJQ-KGLIPLIRSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208373150 978352057 /nfs/dbraw/zinc/35/20/57/978352057.db2.gz GYJFTZZBGBIZLD-HOCLYGCPSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424416 978363775 /nfs/dbraw/zinc/36/37/75/978363775.db2.gz YLTMCOBRALQUQS-ZIAGYGMSSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324760 978446472 /nfs/dbraw/zinc/44/64/72/978446472.db2.gz VAPUCLWEPSKCER-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001209670310 978471859 /nfs/dbraw/zinc/47/18/59/978471859.db2.gz YDEJDTDHIREFRD-STQMWFEESA-N 2 0 309.414 -0.453 20 30 DBEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210683800 978527408 /nfs/dbraw/zinc/52/74/08/978527408.db2.gz BNEPMIZUQIKAPN-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082729 978551977 /nfs/dbraw/zinc/55/19/77/978551977.db2.gz UMYVQXLKPVGWPJ-CQSZACIVSA-N 2 0 308.426 -0.035 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211065514 978553733 /nfs/dbraw/zinc/55/37/33/978553733.db2.gz WCGCUNGKCHSIGQ-OLZOCXBDSA-N 2 0 307.398 -0.842 20 30 DBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857788 978695074 /nfs/dbraw/zinc/69/50/74/978695074.db2.gz WHOJCLCFMAWLMQ-RBSFLKMASA-N 2 0 311.426 -0.044 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336088 978726179 /nfs/dbraw/zinc/72/61/79/978726179.db2.gz TYKKSAOIPDYLHP-MCIONIFRSA-N 2 0 306.410 -0.734 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214344215 978726396 /nfs/dbraw/zinc/72/63/96/978726396.db2.gz OSEATIYCNWSNRP-JHJVBQTASA-N 2 0 307.398 -0.843 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453545 978769713 /nfs/dbraw/zinc/76/97/13/978769713.db2.gz HNGRKWXLYFJMMR-UKRRQHHQSA-N 2 0 320.437 -0.486 20 30 DBEDRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001215476688 978771642 /nfs/dbraw/zinc/77/16/42/978771642.db2.gz QGTWSBQQGIDOFD-UMVBOHGHSA-N 2 0 323.441 -0.351 20 30 DBEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001215994029 978779418 /nfs/dbraw/zinc/77/94/18/978779418.db2.gz MTUIUOHYNYHYBU-CHWSQXEVSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C2)CC1 ZINC001216837678 978796006 /nfs/dbraw/zinc/79/60/06/978796006.db2.gz MHAXBYCYAUASLG-UKRRQHHQSA-N 2 0 320.437 -0.486 20 30 DBEDRP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]([NH3+])CCCC[NH3+])c1N ZINC001218596877 978835853 /nfs/dbraw/zinc/83/58/53/978835853.db2.gz OFBPZKJAXVFOFZ-JTQLQIEISA-N 2 0 318.385 -0.921 20 30 DBEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971286 978863016 /nfs/dbraw/zinc/86/30/16/978863016.db2.gz WBIOCVMHUAEJIC-LSDHHAIUSA-N 2 0 309.410 -0.501 20 30 DBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714597 978998946 /nfs/dbraw/zinc/99/89/46/978998946.db2.gz PVKKMFZWVFIMDW-LXTVHRRPSA-N 2 0 300.362 -0.690 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737582 979003435 /nfs/dbraw/zinc/00/34/35/979003435.db2.gz ZOBHBQOBWZTLQK-GJZGRUSLSA-N 2 0 314.389 -0.077 20 30 DBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC001220496369 979212130 /nfs/dbraw/zinc/21/21/30/979212130.db2.gz BJKNAASYJOQXTR-ZJUUUORDSA-N 2 0 305.400 -0.919 20 30 DBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(=O)OCC ZINC001220572746 979236512 /nfs/dbraw/zinc/23/65/12/979236512.db2.gz ADLKZAVPIKWCJT-AXAPSJFSSA-N 2 0 324.425 -0.639 20 30 DBEDRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCS ZINC001220588103 979241724 /nfs/dbraw/zinc/24/17/24/979241724.db2.gz QOBGKNGHFKGADM-RYUDHWBXSA-N 2 0 316.471 -0.130 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331154223 979861544 /nfs/dbraw/zinc/86/15/44/979861544.db2.gz GDWKOODKEPLTCJ-BETUJISGSA-N 2 0 308.426 -0.003 20 30 DBEDRP C[NH+]1CCN(CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC001331322605 979872061 /nfs/dbraw/zinc/87/20/61/979872061.db2.gz RERJKPLCRPOJHH-CKDBGZEDSA-N 2 0 319.453 -0.121 20 30 DBEDRP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]CC(=O)NCC#N ZINC001331584521 979891105 /nfs/dbraw/zinc/89/11/05/979891105.db2.gz LRKBXZPPLSDPLL-RYUDHWBXSA-N 2 0 320.397 -0.335 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490356634 1014940327 /nfs/dbraw/zinc/94/03/27/1014940327.db2.gz JOKPLPZVWLUIKY-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490727276 1015096877 /nfs/dbraw/zinc/09/68/77/1015096877.db2.gz AQNSNSBSMQDGST-ZFWWWQNUSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490953962 1015170498 /nfs/dbraw/zinc/17/04/98/1015170498.db2.gz BPJPPYQGICPDAM-IHRRRGAJSA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)CC1 ZINC001490958345 1015171145 /nfs/dbraw/zinc/17/11/45/1015171145.db2.gz WAQOGGQYBSNBJR-HDJSIYSDSA-N 2 0 306.410 -0.686 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491017681 1015193288 /nfs/dbraw/zinc/19/32/88/1015193288.db2.gz SPTPDLFPWWRXJQ-HZSPNIEDSA-N 2 0 321.425 -0.264 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491041677 1015203110 /nfs/dbraw/zinc/20/31/10/1015203110.db2.gz FHDSYSNFMCPMJI-OKILXGFUSA-N 2 0 320.437 -0.153 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183164 1015278725 /nfs/dbraw/zinc/27/87/25/1015278725.db2.gz AIZYOQCGNBRSKW-ZIAGYGMSSA-N 2 0 321.425 -0.594 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001491270418 1015326130 /nfs/dbraw/zinc/32/61/30/1015326130.db2.gz BCNSDGWREQYKEE-CQSZACIVSA-N 2 0 323.441 -0.063 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640175 1015538914 /nfs/dbraw/zinc/53/89/14/1015538914.db2.gz JEBOSJLSGPTIPH-QWHCGFSZSA-N 2 0 308.426 -0.133 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491732896 1015596501 /nfs/dbraw/zinc/59/65/01/1015596501.db2.gz QNHOPZXOQFZZHP-ZDUSSCGKSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829212 1015644399 /nfs/dbraw/zinc/64/43/99/1015644399.db2.gz HDYINAWEZZARKW-AWEZNQCLSA-N 2 0 320.437 -0.484 20 30 DBEDRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001492078032 1015710583 /nfs/dbraw/zinc/71/05/83/1015710583.db2.gz NXTKAEFZBBUBRJ-GFCCVEGCSA-N 2 0 309.414 -0.548 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001494169626 1016181084 /nfs/dbraw/zinc/18/10/84/1016181084.db2.gz LYCXHKWVLHUJBV-CQSZACIVSA-N 2 0 323.441 -0.252 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001495231320 1016588984 /nfs/dbraw/zinc/58/89/84/1016588984.db2.gz DFJBRCSOSXZOQQ-YOEHRIQHSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495301362 1016606247 /nfs/dbraw/zinc/60/62/47/1016606247.db2.gz UDVLWCQVFDMESU-CXAGYDPISA-N 2 0 320.437 -0.438 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC#N)CC1 ZINC001495481208 1016631715 /nfs/dbraw/zinc/63/17/15/1016631715.db2.gz GLPBOBLJWDMMQU-HDJSIYSDSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001495784927 1016720651 /nfs/dbraw/zinc/72/06/51/1016720651.db2.gz JNIHLKDJVZXUCK-KGLIPLIRSA-N 2 0 308.426 -0.581 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496149076 1016852727 /nfs/dbraw/zinc/85/27/27/1016852727.db2.gz KBXZPUWGUIJRAR-KBPBESRZSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001496365300 1016897724 /nfs/dbraw/zinc/89/77/24/1016897724.db2.gz YOMFBXJJOXQRPV-CHWSQXEVSA-N 2 0 309.414 -0.596 20 30 DBEDRP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573765 1016954672 /nfs/dbraw/zinc/95/46/72/1016954672.db2.gz HQEXIUKJSDLXBC-UONOGXRCSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479407413 1010278701 /nfs/dbraw/zinc/27/87/01/1010278701.db2.gz BQKSADKEVAHLDW-IIAWOOMASA-N 2 0 322.453 -0.194 20 30 DBEDRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001479408425 1010285005 /nfs/dbraw/zinc/28/50/05/1010285005.db2.gz JHNYLSXCOSNWFP-AVGNSLFASA-N 2 0 309.414 -0.549 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480109420 1010538134 /nfs/dbraw/zinc/53/81/34/1010538134.db2.gz DOGSHPJFCVCUAC-LSDHHAIUSA-N 2 0 318.421 -0.732 20 30 DBEDRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001480163545 1010562730 /nfs/dbraw/zinc/56/27/30/1010562730.db2.gz DSAWSYIURXXUDZ-HDJSIYSDSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480524100 1010679179 /nfs/dbraw/zinc/67/91/79/1010679179.db2.gz KFZYSSIMICSUIZ-CHWSQXEVSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480595845 1010709530 /nfs/dbraw/zinc/70/95/30/1010709530.db2.gz DWFCDUBZFUNDEL-HOCLYGCPSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480608790 1010716057 /nfs/dbraw/zinc/71/60/57/1010716057.db2.gz PBENFBZBADJPTL-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480619752 1010719263 /nfs/dbraw/zinc/71/92/63/1010719263.db2.gz WHDXIUVKQNHAGH-HIFRSBDPSA-N 2 0 320.437 -0.343 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480709830 1010740582 /nfs/dbraw/zinc/74/05/82/1010740582.db2.gz GUMPPCWBQQAZDQ-KBPBESRZSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230969 1010867054 /nfs/dbraw/zinc/86/70/54/1010867054.db2.gz KVEONPMBUWBZES-ZFWWWQNUSA-N 2 0 320.437 -0.486 20 30 DBEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481251449 1010874814 /nfs/dbraw/zinc/87/48/14/1010874814.db2.gz AQUQBFLRPHCTGS-CQSZACIVSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481522331 1010897525 /nfs/dbraw/zinc/89/75/25/1010897525.db2.gz YUBICKRXYXGJBF-SOUVJXGZSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001482226824 1011091357 /nfs/dbraw/zinc/09/13/57/1011091357.db2.gz WKMMQIKYLIKTHV-CQSZACIVSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482331224 1011119974 /nfs/dbraw/zinc/11/99/74/1011119974.db2.gz OTGYVVSIKKCSKU-UONOGXRCSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482353990 1011126834 /nfs/dbraw/zinc/12/68/34/1011126834.db2.gz MVINSMWKTUPYBT-CHWSQXEVSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC)CC1 ZINC001482366481 1011130797 /nfs/dbraw/zinc/13/07/97/1011130797.db2.gz ANDYYVSYDVIEHM-CYBMUJFWSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001482369070 1011131824 /nfs/dbraw/zinc/13/18/24/1011131824.db2.gz UDBKWGQNOJPILY-OLZOCXBDSA-N 2 0 308.426 -0.358 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O)CC1 ZINC001482369069 1011131907 /nfs/dbraw/zinc/13/19/07/1011131907.db2.gz UDBKWGQNOJPILY-CHWSQXEVSA-N 2 0 308.426 -0.358 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482970166 1011567420 /nfs/dbraw/zinc/56/74/20/1011567420.db2.gz OVRPFZQKKIVQNX-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001483054613 1011648376 /nfs/dbraw/zinc/64/83/76/1011648376.db2.gz OWWNLRBKNRIYHN-PLNGDYQASA-N 2 0 306.410 -0.660 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001483791460 1012141502 /nfs/dbraw/zinc/14/15/02/1012141502.db2.gz VPFPSYJXTSGDAI-CYBMUJFWSA-N 2 0 306.410 -0.542 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484124101 1012318236 /nfs/dbraw/zinc/31/82/36/1012318236.db2.gz FCUOSZVXOPXHSS-RHSMWYFYSA-N 2 0 320.437 -0.484 20 30 DBEDRP C=CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484250178 1012459697 /nfs/dbraw/zinc/45/96/97/1012459697.db2.gz CTZCMMWKNTVSFB-GOEBONIOSA-N 2 0 311.426 -0.306 20 30 DBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497018595 1017198731 /nfs/dbraw/zinc/19/87/31/1017198731.db2.gz RIOABKRHKSDJKC-AWEZNQCLSA-N 2 0 313.361 -0.029 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497261599 1017327229 /nfs/dbraw/zinc/32/72/29/1017327229.db2.gz DYIXALSIMBFGAD-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[NH+]1CCC(C)CC1 ZINC001497470860 1017391676 /nfs/dbraw/zinc/39/16/76/1017391676.db2.gz FOBLRLIRLQVDQO-UHFFFAOYSA-N 2 0 323.441 -0.204 20 30 DBEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001498190634 1017670726 /nfs/dbraw/zinc/67/07/26/1017670726.db2.gz PICOWHDMLOTBTM-GJZGRUSLSA-N 2 0 311.426 -0.301 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001498197247 1017674645 /nfs/dbraw/zinc/67/46/45/1017674645.db2.gz HONUZPFGPHEIQW-STQMWFEESA-N 2 0 308.426 -0.440 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863683 1017877696 /nfs/dbraw/zinc/87/76/96/1017877696.db2.gz MQWNYNGAGQOPPQ-CHWSQXEVSA-N 2 0 307.398 -0.938 20 30 DBEDRP CC#CC[NH2+]CCN(CCO)C(=O)COC1CC[NH+](C)CC1 ZINC001501503842 1018806619 /nfs/dbraw/zinc/80/66/19/1018806619.db2.gz JUAXLAYISKPZTL-UHFFFAOYSA-N 2 0 311.426 -0.469 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001502026255 1018923233 /nfs/dbraw/zinc/92/32/33/1018923233.db2.gz OCOXBUOSGXZYEG-UHFFFAOYSA-N 2 0 306.410 -0.540 20 30 DBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001502072524 1018971459 /nfs/dbraw/zinc/97/14/59/1018971459.db2.gz OZTHSRAVYZPCLB-HNNXBMFYSA-N 2 0 323.437 -0.205 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001502086308 1018986022 /nfs/dbraw/zinc/98/60/22/1018986022.db2.gz BZYBKCZHPURCFB-JKSUJKDBSA-N 2 0 323.437 -0.205 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001502754873 1019168150 /nfs/dbraw/zinc/16/81/50/1019168150.db2.gz YMQBLUHQTANBOE-KBPBESRZSA-N 2 0 323.441 -0.205 20 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C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001565496646 1024056944 /nfs/dbraw/zinc/05/69/44/1024056944.db2.gz NFDHLTKZACVKBO-OAHLLOKOSA-N 2 0 309.458 -0.123 20 30 DBEDRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001565909401 1024090408 /nfs/dbraw/zinc/09/04/08/1024090408.db2.gz DHDPRYHPCNFOBU-MJBXVCDLSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001566573176 1024259761 /nfs/dbraw/zinc/25/97/61/1024259761.db2.gz WAHPGIONBUHPGI-UHFFFAOYSA-N 2 0 320.437 -0.340 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001566814079 1024381547 /nfs/dbraw/zinc/38/15/47/1024381547.db2.gz XJMZKLNQLVAPJK-BPLDGKMQSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566841685 1024385460 /nfs/dbraw/zinc/38/54/60/1024385460.db2.gz DRNMIFCEENASKF-BETUJISGSA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 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/nfs/dbraw/zinc/85/60/51/1024856051.db2.gz RFMKCAJPFRELMJ-HUUCEWRRSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC001569026265 1025119807 /nfs/dbraw/zinc/11/98/07/1025119807.db2.gz DSZJHBLVICKBDT-CYBMUJFWSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001569404408 1025241140 /nfs/dbraw/zinc/24/11/40/1025241140.db2.gz NUAZIBZMLUBGRL-KGLIPLIRSA-N 2 0 322.453 -0.051 20 30 DBEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001569735504 1025314909 /nfs/dbraw/zinc/31/49/09/1025314909.db2.gz AHTMAGVNCMGRPA-OAHLLOKOSA-N 2 0 323.437 -0.157 20 30 DBEDRP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569757125 1025335080 /nfs/dbraw/zinc/33/50/80/1025335080.db2.gz BBFWISITTSCFCD-WBVHZDCISA-N 2 0 323.437 -0.469 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569824739 1025371473 /nfs/dbraw/zinc/37/14/73/1025371473.db2.gz SVIZTVTYAVXTBG-LSDHHAIUSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569828745 1025374082 /nfs/dbraw/zinc/37/40/82/1025374082.db2.gz NVWCPUHXOZRQJW-GJZGRUSLSA-N 2 0 322.453 -0.097 20 30 DBEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001570157341 1025503314 /nfs/dbraw/zinc/50/33/14/1025503314.db2.gz DADRGSUBMBUFCS-INIZCTEOSA-N 2 0 323.437 -0.063 20 30 DBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001570288737 1025558294 /nfs/dbraw/zinc/55/82/94/1025558294.db2.gz BBOJLBYZTAWSMF-NVXWUHKLSA-N 2 0 323.437 -0.327 20 30 DBEDRP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570294279 1025568027 /nfs/dbraw/zinc/56/80/27/1025568027.db2.gz RFIBTHNFDNJTMC-WBVHZDCISA-N 2 0 323.437 -0.469 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC(=O)NC)C2)CC1 ZINC001570582521 1025671545 /nfs/dbraw/zinc/67/15/45/1025671545.db2.gz LWFOGLYTDCBGOE-UHFFFAOYSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001570631629 1025688688 /nfs/dbraw/zinc/68/86/88/1025688688.db2.gz XNNKBSASSSFFAK-RYUDHWBXSA-N 2 0 309.414 -0.549 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001570629960 1025691611 /nfs/dbraw/zinc/69/16/11/1025691611.db2.gz CYMAPZXUDFEMBE-QWHCGFSZSA-N 2 0 308.426 -0.440 20 30 DBEDRP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001571392959 1025921774 /nfs/dbraw/zinc/92/17/74/1025921774.db2.gz GYWZFMTZXOILHZ-CHWSQXEVSA-N 2 0 309.414 -0.453 20 30 DBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001571432672 1025988895 /nfs/dbraw/zinc/98/88/95/1025988895.db2.gz SWIXQSNIILUJOP-GJZGRUSLSA-N 2 0 311.426 -0.423 20 30 DBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001571432674 1025992404 /nfs/dbraw/zinc/99/24/04/1025992404.db2.gz SWIXQSNIILUJOP-LSDHHAIUSA-N 2 0 311.426 -0.423 20 30 DBEDRP C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001571462062 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C=C(CNC(=O)[C@@H]1CCC[NH+]1C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000620747495 382455017 /nfs/dbraw/zinc/45/50/17/382455017.db2.gz AXPDIZMKLYTVNV-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=C(CNC(=O)[C@H]1CCC[NH+]1C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000620747497 382455146 /nfs/dbraw/zinc/45/51/46/382455146.db2.gz AXPDIZMKLYTVNV-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627386140 382621132 /nfs/dbraw/zinc/62/11/32/382621132.db2.gz GXLKTXLBGWZTHX-CQSZACIVSA-N 2 0 324.425 -0.752 20 30 DBEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000521227333 391948027 /nfs/dbraw/zinc/94/80/27/391948027.db2.gz DRONAJJASCAIAD-INIZCTEOSA-N 2 0 311.474 -0.192 20 30 DBEDRP CNC(=O)[C@@H]([NH2+]CC#CC[NH2+][C@H](C(=O)NC)C(C)C)C(C)C ZINC000341904662 392987333 /nfs/dbraw/zinc/98/73/33/392987333.db2.gz QPVATKHJIKILQA-KBPBESRZSA-N 2 0 310.442 -0.290 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419738778 393590504 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C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001317127159 806093510 /nfs/dbraw/zinc/09/35/10/806093510.db2.gz DIHIBVSRBGTXJM-ZNMIVQPWSA-N 2 0 320.437 -0.153 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001317213664 806106840 /nfs/dbraw/zinc/10/68/40/806106840.db2.gz RCAKZEUVUVTLBT-QMIVOQANSA-N 2 0 320.437 -0.489 20 30 DBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001317210925 806107555 /nfs/dbraw/zinc/10/75/55/806107555.db2.gz MJIIKMQNBIVYTP-SBJFKYEJSA-N 2 0 320.437 -0.182 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001317272848 806120574 /nfs/dbraw/zinc/12/05/74/806120574.db2.gz VFYFDLVVZJAENK-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@H](O)COC)CC1 ZINC001317292237 806123626 /nfs/dbraw/zinc/12/36/26/806123626.db2.gz AIFMFGSMZZWMBP-ZFWWWQNUSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]C[C@H](O)COC)CC1 ZINC001317292230 806124093 /nfs/dbraw/zinc/12/40/93/806124093.db2.gz AIFMFGSMZZWMBP-HIFRSBDPSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001317294978 806126190 /nfs/dbraw/zinc/12/61/90/806126190.db2.gz SQSLVYVWZDOXJH-DZGCQCFKSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317336751 806135590 /nfs/dbraw/zinc/13/55/90/806135590.db2.gz WLZADBWFAOLNFA-KGLIPLIRSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317392706 806143251 /nfs/dbraw/zinc/14/32/51/806143251.db2.gz FFYFIVLZCINAQO-KGLIPLIRSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536210 806180755 /nfs/dbraw/zinc/18/07/55/806180755.db2.gz KLUQWUCDEGDXEK-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536208 806180825 /nfs/dbraw/zinc/18/08/25/806180825.db2.gz KLUQWUCDEGDXEK-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317593239 806198316 /nfs/dbraw/zinc/19/83/16/806198316.db2.gz QNEAZFVPVUDHER-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001317790157 806233271 /nfs/dbraw/zinc/23/32/71/806233271.db2.gz SMSLSAUXHMKUBE-UONOGXRCSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](O)COC)C2)CC1 ZINC001318177308 806269514 /nfs/dbraw/zinc/26/95/14/806269514.db2.gz UKMOCNXKMSXNIO-INIZCTEOSA-N 2 0 323.437 -0.613 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001319084301 806343967 /nfs/dbraw/zinc/34/39/67/806343967.db2.gz CTMYYQHAIUKWHD-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)NCC#N ZINC001319237803 806356511 /nfs/dbraw/zinc/35/65/11/806356511.db2.gz ITSGZAZRECZTHL-LBPRGKRZSA-N 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C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321978987 806696951 /nfs/dbraw/zinc/69/69/51/806696951.db2.gz URQYHIXSBYKKQL-BFHYXJOUSA-N 2 0 310.442 -0.195 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001322090081 806709349 /nfs/dbraw/zinc/70/93/49/806709349.db2.gz YNVMQEMQQGDNDF-JSGCOSHPSA-N 2 0 306.410 -0.686 20 30 DBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000876965093 806816392 /nfs/dbraw/zinc/81/63/92/806816392.db2.gz AMUYYNSFFSCLOX-LLVKDONJSA-N 2 0 304.822 -0.065 20 30 DBEDRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877000896 806819388 /nfs/dbraw/zinc/81/93/88/806819388.db2.gz XBHAOLPKNDHPIH-AWEZNQCLSA-N 2 0 306.410 -0.555 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001324278289 806959164 /nfs/dbraw/zinc/95/91/64/806959164.db2.gz UFDQLYCMQUTMRE-CHWSQXEVSA-N 2 0 307.398 -0.842 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278201400 803767435 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323.437 -0.327 20 30 DBEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001281603664 804194866 /nfs/dbraw/zinc/19/48/66/804194866.db2.gz VRFQDANLHGWMAL-AWEZNQCLSA-N 2 0 309.410 -0.717 20 30 DBEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000764327093 804281904 /nfs/dbraw/zinc/28/19/04/804281904.db2.gz PVQLTJUIIJYILP-MRXNPFEDSA-N 2 0 304.438 -0.020 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001283899926 804604377 /nfs/dbraw/zinc/60/43/77/804604377.db2.gz RKXFDUASEWCGIK-UONOGXRCSA-N 2 0 320.437 -0.343 20 30 DBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884249164 807043435 /nfs/dbraw/zinc/04/34/35/807043435.db2.gz FLYREQZVVQPWLX-QWHCGFSZSA-N 2 0 300.366 -0.667 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001324782107 807005962 /nfs/dbraw/zinc/00/59/62/807005962.db2.gz DOFIBZUOGHTIPU-PBHICJAKSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001324782109 807006074 /nfs/dbraw/zinc/00/60/74/807006074.db2.gz DOFIBZUOGHTIPU-WMLDXEAASA-N 2 0 322.453 -0.096 20 30 DBEDRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1)[NH+](C)C ZINC001325773164 807102529 /nfs/dbraw/zinc/10/25/29/807102529.db2.gz VPJMXWKKACFZDY-HZSPNIEDSA-N 2 0 321.425 -0.643 20 30 DBEDRP C#CC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001326250234 807164025 /nfs/dbraw/zinc/16/40/25/807164025.db2.gz SVHAXBXJRFVWGE-UHFFFAOYSA-N 2 0 322.453 -0.190 20 30 DBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001327606447 807313046 /nfs/dbraw/zinc/31/30/46/807313046.db2.gz CCJHSOHFXOLFKG-WBVHZDCISA-N 2 0 323.437 -0.469 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001327869656 807350217 /nfs/dbraw/zinc/35/02/17/807350217.db2.gz XACNOXOCBLVIDE-KBPBESRZSA-N 2 0 320.437 -0.343 20 30 DBEDRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C#CC3CC[NH2+]CC3)C2)nn1 ZINC001328456442 807429581 /nfs/dbraw/zinc/42/95/81/807429581.db2.gz WVNRDYMGFYOQFK-HNNXBMFYSA-N 2 0 316.409 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]cn1 ZINC001329051158 807511291 /nfs/dbraw/zinc/51/12/91/807511291.db2.gz WZBZSTYJSCQZRO-NWDGAFQWSA-N 2 0 305.382 -0.426 20 30 DBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001329203342 807538128 /nfs/dbraw/zinc/53/81/28/807538128.db2.gz SIGPRJWPOYPZDE-KGLIPLIRSA-N 2 0 323.441 -0.015 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923456017 807671472 /nfs/dbraw/zinc/67/14/72/807671472.db2.gz NRZJXKLQLYUWHS-GFCCVEGCSA-N 2 0 310.398 -0.172 20 30 DBEDRP C[NH+](C)CCCC(=O)N[C@@H]1CN(CC(=O)NCC#N)CC1(C)C ZINC001330230979 807689183 /nfs/dbraw/zinc/68/91/83/807689183.db2.gz UPICNWVWZWNEDF-CYBMUJFWSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001332112735 807872918 /nfs/dbraw/zinc/87/29/18/807872918.db2.gz QWHIQTSOFBQTCC-RHSMWYFYSA-N 2 0 320.437 -0.199 20 30 DBEDRP 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319.409 -0.757 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001086278030 825219007 /nfs/dbraw/zinc/21/90/07/825219007.db2.gz DSZYNXJDBWTGFI-NFAWXSAZSA-N 2 0 320.437 -0.310 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000623 828774141 /nfs/dbraw/zinc/77/41/41/828774141.db2.gz JDZQZEMJNPWFIC-NYTXWWLZSA-N 2 0 320.437 -0.488 20 30 DBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242917 828812896 /nfs/dbraw/zinc/81/28/96/828812896.db2.gz GGBOQJIHRGBLHS-TTZDDIAXSA-N 2 0 320.437 -0.181 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CC)C[C@H]2O)CC1 ZINC001090830015 825863596 /nfs/dbraw/zinc/86/35/96/825863596.db2.gz HSMYYVQIDHXPRF-DLBZAZTESA-N 2 0 317.433 -0.094 20 30 DBEDRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001274033976 833009311 /nfs/dbraw/zinc/00/93/11/833009311.db2.gz AWMGAQAERUKRBC-FGTRRKKMSA-N 2 0 307.398 -0.772 20 30 DBEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161536272 833032605 /nfs/dbraw/zinc/03/26/05/833032605.db2.gz BEMPYKJCFZCRSW-CHWSQXEVSA-N 2 0 322.409 -0.301 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161644105 833043386 /nfs/dbraw/zinc/04/33/86/833043386.db2.gz HZKMPRGQSVOVEV-OAHLLOKOSA-N 2 0 322.453 -0.048 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001274299070 833058314 /nfs/dbraw/zinc/05/83/14/833058314.db2.gz SGAACCMTDGXYGT-OLZOCXBDSA-N 2 0 309.414 -0.597 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001274299069 833058987 /nfs/dbraw/zinc/05/89/87/833058987.db2.gz SGAACCMTDGXYGT-CHWSQXEVSA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274555709 833099688 /nfs/dbraw/zinc/09/96/88/833099688.db2.gz ZFQYFEXIUNCNTE-RDJZCZTQSA-N 2 0 323.437 -0.374 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001274612474 833109857 /nfs/dbraw/zinc/10/98/57/833109857.db2.gz ZRLZFYAZAMOWQU-YVACAVLKSA-N 2 0 320.437 -0.143 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001274612473 833110333 /nfs/dbraw/zinc/11/03/33/833110333.db2.gz ZRLZFYAZAMOWQU-NFAHFFEMSA-N 2 0 320.437 -0.143 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617356 833114192 /nfs/dbraw/zinc/11/41/92/833114192.db2.gz HNJBWAQJSGTIQP-UHFFFAOYSA-N 2 0 314.349 -0.316 20 30 DBEDRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001100405606 826958604 /nfs/dbraw/zinc/95/86/04/826958604.db2.gz DJSWCCODOLRONH-UHFFFAOYSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619934 826991591 /nfs/dbraw/zinc/99/15/91/826991591.db2.gz OXWPUHSVLQJIQF-UHFFFAOYSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100673869 826999822 /nfs/dbraw/zinc/99/98/22/826999822.db2.gz CNDFZHIBUCDUAG-HSBZDZAISA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100770922 827020267 /nfs/dbraw/zinc/02/02/67/827020267.db2.gz QBGJPWDPKGCMPQ-WLYUNCDWSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100874591 827040032 /nfs/dbraw/zinc/04/00/32/827040032.db2.gz OCWREKJYWJZUOX-UHFFFAOYSA-N 2 0 320.437 -0.131 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224111 833139502 /nfs/dbraw/zinc/13/95/02/833139502.db2.gz SGCLUFSQGMUKLG-MRXNPFEDSA-N 2 0 320.437 -0.294 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100982526 827058534 /nfs/dbraw/zinc/05/85/34/827058534.db2.gz YEDBDCRVAZJMRZ-ROKHWSDSSA-N 2 0 308.426 -0.275 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001275173270 833155498 /nfs/dbraw/zinc/15/54/98/833155498.db2.gz DAFCUWRLIQZDSR-QWHCGFSZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102525387 827220161 /nfs/dbraw/zinc/22/01/61/827220161.db2.gz ZYXBGWFCXZZDMS-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001275334051 833170499 /nfs/dbraw/zinc/17/04/99/833170499.db2.gz AZVLAAXSCPBJSB-LBPRGKRZSA-N 2 0 309.414 -0.548 20 30 DBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164450073 833210879 /nfs/dbraw/zinc/21/08/79/833210879.db2.gz XOKSSXYGHFBZTL-AWEZNQCLSA-N 2 0 323.441 -0.156 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622583 827665988 /nfs/dbraw/zinc/66/59/88/827665988.db2.gz GLNUYJJMJWQXNW-ZIAGYGMSSA-N 2 0 310.442 -0.076 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165269932 833233347 /nfs/dbraw/zinc/23/33/47/833233347.db2.gz AFQXDKBKSCUXDY-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166765142 833280686 /nfs/dbraw/zinc/28/06/86/833280686.db2.gz UCCLLVFWAJJQOM-UHFFFAOYSA-N 2 0 308.426 -0.436 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167260813 833294005 /nfs/dbraw/zinc/29/40/05/833294005.db2.gz KZDXSPWMPNAJSA-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226667 833367724 /nfs/dbraw/zinc/36/77/24/833367724.db2.gz JCHDTTJAONNQQP-KBPBESRZSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303399 833368877 /nfs/dbraw/zinc/36/88/77/833368877.db2.gz IUJQUCQHPVCDIR-ZDUSSCGKSA-N 2 0 308.426 -0.131 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176096319 833400301 /nfs/dbraw/zinc/40/03/01/833400301.db2.gz PMHSQJPSGQCZLH-UHFFFAOYSA-N 2 0 323.441 -0.060 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCn2cncn2)CC1 ZINC001176926935 833437731 /nfs/dbraw/zinc/43/77/31/833437731.db2.gz ZGALUAYFLWAXAO-UHFFFAOYSA-N 2 0 318.425 -0.281 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2cn(C)nn2)CC1 ZINC001176926085 833436865 /nfs/dbraw/zinc/43/68/65/833436865.db2.gz GELDIVJAAINACC-UHFFFAOYSA-N 2 0 318.425 -0.244 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001176926202 833436971 /nfs/dbraw/zinc/43/69/71/833436971.db2.gz IYUALPIWRAPYBZ-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176986224 833445231 /nfs/dbraw/zinc/44/52/31/833445231.db2.gz IAJHRIZZRFPJOD-ZDUSSCGKSA-N 2 0 309.414 -0.404 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481769 830014816 /nfs/dbraw/zinc/01/48/16/830014816.db2.gz WREUQLAJAVIGOD-CABCVRRESA-N 2 0 320.437 -0.179 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127559045 830017603 /nfs/dbraw/zinc/01/76/03/830017603.db2.gz YTQXREPCADRRRC-UHFFFAOYSA-N 2 0 307.398 -0.586 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001127638180 830020579 /nfs/dbraw/zinc/02/05/79/830020579.db2.gz GBLLEFCIWDJUPB-MCIONIFRSA-N 2 0 308.426 -0.181 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001127638181 830021382 /nfs/dbraw/zinc/02/13/82/830021382.db2.gz GBLLEFCIWDJUPB-MGPQQGTHSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327787 830172138 /nfs/dbraw/zinc/17/21/38/830172138.db2.gz IXOZGENPXUOETA-CQSZACIVSA-N 2 0 308.426 -0.581 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129350654 830174813 /nfs/dbraw/zinc/17/48/13/830174813.db2.gz CYIGYCIKHJWMLJ-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436517 830181320 /nfs/dbraw/zinc/18/13/20/830181320.db2.gz QDMIWFNPCIQREV-OAHLLOKOSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992151 830241564 /nfs/dbraw/zinc/24/15/64/830241564.db2.gz NNKNBMDUGUFLIO-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047693 830252785 /nfs/dbraw/zinc/25/27/85/830252785.db2.gz NZPKGNJCKXFBCT-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047459 830253161 /nfs/dbraw/zinc/25/31/61/830253161.db2.gz BTTQTIZLISBIRU-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130167355 830272054 /nfs/dbraw/zinc/27/20/54/830272054.db2.gz UEIVXCFGODRGLO-UHFFFAOYSA-N 2 0 308.426 -0.130 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874924 830403662 /nfs/dbraw/zinc/40/36/62/830403662.db2.gz UPFBTUKMYKIQIU-LBPRGKRZSA-N 2 0 313.361 -0.208 20 30 DBEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692782 830510379 /nfs/dbraw/zinc/51/03/79/830510379.db2.gz KQYZZPNSDLSMQA-RDJZCZTQSA-N 2 0 323.437 -0.110 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132858921 830707187 /nfs/dbraw/zinc/70/71/87/830707187.db2.gz PAHZVWJHVODPRN-ZDUSSCGKSA-N 2 0 312.414 -0.896 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285868 830762952 /nfs/dbraw/zinc/76/29/52/830762952.db2.gz LZXIDUBSJBRESP-UHFFFAOYSA-N 2 0 323.441 -0.204 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690918 830810596 /nfs/dbraw/zinc/81/05/96/830810596.db2.gz WZTDHOUVFACMRR-KGLIPLIRSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896869 830850519 /nfs/dbraw/zinc/85/05/19/830850519.db2.gz SOFLDVVWGBHPDE-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896868 830851221 /nfs/dbraw/zinc/85/12/21/830851221.db2.gz SOFLDVVWGBHPDE-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908438 830853866 /nfs/dbraw/zinc/85/38/66/830853866.db2.gz QWFDJFMTHRFXON-ZDUSSCGKSA-N 2 0 310.442 -0.192 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CC(=O)NCC#N ZINC001135317548 831050820 /nfs/dbraw/zinc/05/08/20/831050820.db2.gz ZBEILTTZLMTHEY-OLZOCXBDSA-N 2 0 311.430 -0.159 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183648032 833725900 /nfs/dbraw/zinc/72/59/00/833725900.db2.gz MSVHUDUHDMDDSZ-OLZOCXBDSA-N 2 0 307.398 -0.699 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135882278 831131737 /nfs/dbraw/zinc/13/17/37/831131737.db2.gz JTGSZPFOQXTXOW-QWHCGFSZSA-N 2 0 311.430 -0.159 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135882279 831132139 /nfs/dbraw/zinc/13/21/39/831132139.db2.gz JTGSZPFOQXTXOW-STQMWFEESA-N 2 0 311.430 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939340 831139709 /nfs/dbraw/zinc/13/97/09/831139709.db2.gz YOUISSGYZYJDOG-UONOGXRCSA-N 2 0 320.437 -0.296 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146592292 831285874 /nfs/dbraw/zinc/28/58/74/831285874.db2.gz IZRFFDIOIIXJMP-OLZOCXBDSA-N 2 0 311.430 -0.161 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O)CC1 ZINC001146585475 831285913 /nfs/dbraw/zinc/28/59/13/831285913.db2.gz YFUGMYPRQLGUTH-STQMWFEESA-N 2 0 308.426 -0.310 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638676 831468235 /nfs/dbraw/zinc/46/82/35/831468235.db2.gz MWJAHYAOIFMKHA-UHFFFAOYSA-N 2 0 313.402 -0.954 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001152323713 831740612 /nfs/dbraw/zinc/74/06/12/831740612.db2.gz CCOONPYTJXYGFK-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NCC=C)CC1 ZINC001152330449 831741007 /nfs/dbraw/zinc/74/10/07/831741007.db2.gz NJNPMZGCOPBIAN-AWEZNQCLSA-N 2 0 320.437 -0.272 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001152330318 831741183 /nfs/dbraw/zinc/74/11/83/831741183.db2.gz LSIFQTIIWCLRJF-AWEZNQCLSA-N 2 0 306.410 -0.732 20 30 DBEDRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001152473578 831754044 /nfs/dbraw/zinc/75/40/44/831754044.db2.gz WWFGJCZUXWPMOJ-AWEZNQCLSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152480543 831754438 /nfs/dbraw/zinc/75/44/38/831754438.db2.gz WQJVASWWHOJGQE-MRXNPFEDSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887416 832070022 /nfs/dbraw/zinc/07/00/22/832070022.db2.gz VHAQWEUAGKQOQW-AWEZNQCLSA-N 2 0 308.426 -0.296 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039742 832085034 /nfs/dbraw/zinc/08/50/34/832085034.db2.gz UBVZBRAYQONALR-KBPBESRZSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202153 832099382 /nfs/dbraw/zinc/09/93/82/832099382.db2.gz DOZKGFSPYCUYKD-ZFWWWQNUSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#C[C@](C)([NH3+])C(=O)N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001158891124 832143250 /nfs/dbraw/zinc/14/32/50/832143250.db2.gz UCQIFUKYSSWZPJ-HNNXBMFYSA-N 2 0 306.410 -0.460 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185659567 833804788 /nfs/dbraw/zinc/80/47/88/833804788.db2.gz KPNQURNKGFOIAV-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403208 832427735 /nfs/dbraw/zinc/42/77/35/832427735.db2.gz UGKOGETWZCWKNJ-KBPBESRZSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001269991125 832488785 /nfs/dbraw/zinc/48/87/85/832488785.db2.gz HJVCRHLHNDVNFE-KKUMJFAQSA-N 2 0 320.437 -0.153 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001270287675 832519487 /nfs/dbraw/zinc/51/94/87/832519487.db2.gz NHWGIWQTJRULAX-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001270518764 832542779 /nfs/dbraw/zinc/54/27/79/832542779.db2.gz YPNYAYLDBJZEOA-KGLIPLIRSA-N 2 0 308.426 -0.581 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001270605352 832552751 /nfs/dbraw/zinc/55/27/51/832552751.db2.gz ZCNNWPHJVSHRNH-DZGCQCFKSA-N 2 0 322.453 -0.063 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001270605355 832552845 /nfs/dbraw/zinc/55/28/45/832552845.db2.gz ZCNNWPHJVSHRNH-ZFWWWQNUSA-N 2 0 322.453 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270697388 832566703 /nfs/dbraw/zinc/56/67/03/832566703.db2.gz HHJYZHCWPOVAGW-PBHICJAKSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001271458555 832670543 /nfs/dbraw/zinc/67/05/43/832670543.db2.gz NQWQFZXGKTZADS-GJZGRUSLSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271659491 832691133 /nfs/dbraw/zinc/69/11/33/832691133.db2.gz JASKYTYUNOWSRU-KGLIPLIRSA-N 2 0 308.426 -0.628 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271659492 832691137 /nfs/dbraw/zinc/69/11/37/832691137.db2.gz JASKYTYUNOWSRU-UONOGXRCSA-N 2 0 308.426 -0.628 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001271922377 832715885 /nfs/dbraw/zinc/71/58/85/832715885.db2.gz GUWUWDZAMQTQHF-CQSZACIVSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)OC)CC1 ZINC001272582877 832807082 /nfs/dbraw/zinc/80/70/82/832807082.db2.gz CIXNCGYTQAZYMR-HIFRSBDPSA-N 2 0 311.426 -0.567 20 30 DBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272780569 832832716 /nfs/dbraw/zinc/83/27/16/832832716.db2.gz ALDLMGGQTNDZTB-TZMCWYRMSA-N 2 0 321.425 -0.548 20 30 DBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272865543 832844914 /nfs/dbraw/zinc/84/49/14/832844914.db2.gz MFPAOTRDBJJTFE-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272865541 832845150 /nfs/dbraw/zinc/84/51/50/832845150.db2.gz MFPAOTRDBJJTFE-CHWSQXEVSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122961 832882928 /nfs/dbraw/zinc/88/29/28/832882928.db2.gz KMUSCJQGQFLTFQ-UONOGXRCSA-N 2 0 320.437 -0.296 20 30 DBEDRP CCN1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193969 832891887 /nfs/dbraw/zinc/89/18/87/832891887.db2.gz ZYPOBWKIXLPKAC-GJZGRUSLSA-N 2 0 311.426 -0.159 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC)CC1 ZINC001273202257 832894092 /nfs/dbraw/zinc/89/40/92/832894092.db2.gz DWFNQNFLLZTGCZ-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426501 832902114 /nfs/dbraw/zinc/90/21/14/832902114.db2.gz GKOFUCZMTBNOCR-KGLIPLIRSA-N 2 0 310.442 -0.194 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C1CC[NH+](C)CC1 ZINC001273588469 832941182 /nfs/dbraw/zinc/94/11/82/832941182.db2.gz MGPZFFVNJMXHBQ-UHFFFAOYSA-N 2 0 309.414 -0.594 20 30 DBEDRP C=CCN1CC[C@@]2(CC[N@@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273836082 832970526 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ISMLRFXCGMQFBW-LSDHHAIUSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643631 978469871 /nfs/dbraw/zinc/46/98/71/978469871.db2.gz UOYRONZIMPSNPR-KBPBESRZSA-N 2 0 321.425 -0.451 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674453 978525940 /nfs/dbraw/zinc/52/59/40/978525940.db2.gz WOAIWXQATREMQZ-AWEZNQCLSA-N 2 0 320.437 -0.035 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210789705 978533314 /nfs/dbraw/zinc/53/33/14/978533314.db2.gz QXAWAEPYWJRDCK-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210789385 978534502 /nfs/dbraw/zinc/53/45/02/978534502.db2.gz OIZPVFLDFDZAEE-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638518 978681727 /nfs/dbraw/zinc/68/17/27/978681727.db2.gz RXOPFHANWPIXFI-HZPDHXFCSA-N 2 0 323.437 -0.064 20 30 DBEDRP 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N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC001219737105 979002367 /nfs/dbraw/zinc/00/23/67/979002367.db2.gz OSSMVVDARYHRNP-CABCVRRESA-N 2 0 314.389 -0.077 20 30 DBEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219836804 979027959 /nfs/dbraw/zinc/02/79/59/979027959.db2.gz FIHYTZWFEVJGKZ-BPUTZDHNSA-N 2 0 309.410 -0.194 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387105 979187024 /nfs/dbraw/zinc/18/70/24/979187024.db2.gz BVGOZDZRGHWJOJ-XHSDSOJGSA-N 2 0 323.437 -0.328 20 30 DBEDRP COC(=O)c1ccc(C(=[NH2+])NC([O-])=C2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001220577160 979239472 /nfs/dbraw/zinc/23/94/72/979239472.db2.gz GIXPXGMBNPTUJM-LBPRGKRZSA-N 2 0 316.361 -0.486 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643306 979253197 /nfs/dbraw/zinc/25/31/97/979253197.db2.gz ZPDPVAFNWSKABL-CABCVRRESA-N 2 0 309.410 -0.718 20 30 DBEDRP N=C(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccc(C(N)=O)cc1 ZINC001220643340 979253822 /nfs/dbraw/zinc/25/38/22/979253822.db2.gz BBXZURUFRFKGNY-LBPRGKRZSA-N 2 0 303.366 -0.656 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225577404 979598225 /nfs/dbraw/zinc/59/82/25/979598225.db2.gz GFMQJGJSEDJWIF-UHFFFAOYSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001229504546 979677567 /nfs/dbraw/zinc/67/75/67/979677567.db2.gz VKUDQEIJRRAYOS-ZIAGYGMSSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[N@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001331074768 979854504 /nfs/dbraw/zinc/85/45/04/979854504.db2.gz NRFXOFUQZXTACJ-CYBMUJFWSA-N 2 0 321.425 -0.499 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001331470924 979880890 /nfs/dbraw/zinc/88/08/90/979880890.db2.gz VFFGZRHROBJBRB-CYBMUJFWSA-N 2 0 308.426 -0.343 20 30 DBEDRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)NCC#N ZINC001331599610 979891366 /nfs/dbraw/zinc/89/13/66/979891366.db2.gz YXWLLMZITIGGHF-CQSZACIVSA-N 2 0 323.441 -0.205 20 30 DBEDRP C/C(=C/C(=O)NCC#CC[NH+](C)C)C(=O)NCC#CC[NH+](C)C ZINC001347143314 980200687 /nfs/dbraw/zinc/20/06/87/980200687.db2.gz OZOFNCNONPSUBE-PFONDFGASA-N 2 0 318.421 -0.705 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270351 1014911363 /nfs/dbraw/zinc/91/13/63/1014911363.db2.gz LSOUNTPVSYIDGA-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC(=O)NCC)CC1 ZINC001490281099 1014917060 /nfs/dbraw/zinc/91/70/60/1014917060.db2.gz FQMMMYYVDADYRQ-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001490890044 1015148134 /nfs/dbraw/zinc/14/81/34/1015148134.db2.gz QYHXTTWGMTYZPU-KKUMJFAQSA-N 2 0 320.437 -0.133 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491046903 1015205361 /nfs/dbraw/zinc/20/53/61/1015205361.db2.gz CDCOBHHAEOJRFX-MELADBBJSA-N 2 0 320.437 -0.297 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001491273102 1015328072 /nfs/dbraw/zinc/32/80/72/1015328072.db2.gz PEXORQDGERRFIQ-CQSZACIVSA-N 2 0 321.425 -0.307 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001491365849 1015373764 /nfs/dbraw/zinc/37/37/64/1015373764.db2.gz YLWRSLSQGYYHHX-HNNXBMFYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001491560556 1015490086 /nfs/dbraw/zinc/49/00/86/1015490086.db2.gz PUYFPWIXWBOGDO-AGIUHOORSA-N 2 0 309.414 -0.549 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491826191 1015642623 /nfs/dbraw/zinc/64/26/23/1015642623.db2.gz RTSHMMMNIRAFQB-KBPBESRZSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829213 1015645390 /nfs/dbraw/zinc/64/53/90/1015645390.db2.gz HDYINAWEZZARKW-CQSZACIVSA-N 2 0 320.437 -0.484 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890753 1015664668 /nfs/dbraw/zinc/66/46/68/1015664668.db2.gz FSRSVKJZKSMOAV-KGLIPLIRSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493664898 1016031350 /nfs/dbraw/zinc/03/13/50/1016031350.db2.gz RKJCEWPVEQYRES-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=O)NC(C)C)CC1 ZINC001493806696 1016067698 /nfs/dbraw/zinc/06/76/98/1016067698.db2.gz NGGOGFVGCQWTSL-UHFFFAOYSA-N 2 0 322.453 -0.096 20 30 DBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001422396729 1000858001 /nfs/dbraw/zinc/85/80/01/1000858001.db2.gz QRTDBDUYFWMIOH-GFCCVEGCSA-N 2 0 319.833 -0.084 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001496239050 1016872380 /nfs/dbraw/zinc/87/23/80/1016872380.db2.gz PEPOHJKICAICJK-ZIAGYGMSSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496361247 1016897099 /nfs/dbraw/zinc/89/70/99/1016897099.db2.gz JGGDQHCYOJBUCW-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573762 1016954960 /nfs/dbraw/zinc/95/49/60/1016954960.db2.gz HQEXIUKJSDLXBC-KGLIPLIRSA-N 2 0 323.441 -0.159 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001480038261 1010508833 /nfs/dbraw/zinc/50/88/33/1010508833.db2.gz FAVZJEQSXSGBDU-QWHCGFSZSA-N 2 0 307.398 -0.795 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480163870 1010561856 /nfs/dbraw/zinc/56/18/56/1010561856.db2.gz NPISLVADZAMPBV-SHTZXODSSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001480209467 1010575109 /nfs/dbraw/zinc/57/51/09/1010575109.db2.gz VEVRZZVJDXOGQI-XHSDSOJGSA-N 2 0 303.406 -0.029 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001480267353 1010598673 /nfs/dbraw/zinc/59/86/73/1010598673.db2.gz LKYWVPNGZIKBRF-OAHLLOKOSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001480494718 1010668101 /nfs/dbraw/zinc/66/81/01/1010668101.db2.gz GMMQGUUIZHZRDP-CYBMUJFWSA-N 2 0 306.410 -0.542 20 30 DBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521607 1010678622 /nfs/dbraw/zinc/67/86/22/1010678622.db2.gz KOTDJEMLWJOEIG-KBPBESRZSA-N 2 0 323.441 -0.158 20 30 DBEDRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521623 1010678927 /nfs/dbraw/zinc/67/89/27/1010678927.db2.gz KOTDJEMLWJOEIG-KGLIPLIRSA-N 2 0 323.441 -0.158 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521627 1010679545 /nfs/dbraw/zinc/67/95/45/1010679545.db2.gz KOTDJEMLWJOEIG-ZIAGYGMSSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480608789 1010715943 /nfs/dbraw/zinc/71/59/43/1010715943.db2.gz PBENFBZBADJPTL-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001480616228 1010718911 /nfs/dbraw/zinc/71/89/11/1010718911.db2.gz HWBHFMUTPRPMGN-KBPBESRZSA-N 2 0 306.410 -0.589 20 30 DBEDRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001480649494 1010729713 /nfs/dbraw/zinc/72/97/13/1010729713.db2.gz WWXDSWLVXFIDJI-CYBMUJFWSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001480765252 1010756381 /nfs/dbraw/zinc/75/63/81/1010756381.db2.gz CIHQLXVYTXYNCU-YNEHKIRRSA-N 2 0 309.414 -0.549 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481278939 1010880069 /nfs/dbraw/zinc/88/00/69/1010880069.db2.gz COBPYPLVTSJVMD-UONOGXRCSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001481358097 1010892817 /nfs/dbraw/zinc/89/28/17/1010892817.db2.gz MIRGRPSDZHSMCA-AWEZNQCLSA-N 2 0 323.441 -0.205 20 30 DBEDRP COCC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001481719570 1010978674 /nfs/dbraw/zinc/97/86/74/1010978674.db2.gz IEHQTFZIHKZWLY-CABCVRRESA-N 2 0 309.410 -0.501 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481824288 1011009896 /nfs/dbraw/zinc/00/98/96/1011009896.db2.gz SAWNYPHBJKCFDN-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC)CC1 ZINC001482366485 1011131157 /nfs/dbraw/zinc/13/11/57/1011131157.db2.gz ANDYYVSYDVIEHM-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537456 1011171467 /nfs/dbraw/zinc/17/14/67/1011171467.db2.gz CRBQBUMKSHYNRE-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001482684845 1011264491 /nfs/dbraw/zinc/26/44/91/1011264491.db2.gz DACGMRZGBVPWKV-KGLIPLIRSA-N 2 0 308.426 -0.438 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482970168 1011567591 /nfs/dbraw/zinc/56/75/91/1011567591.db2.gz OVRPFZQKKIVQNX-OKILXGFUSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001483054614 1011649019 /nfs/dbraw/zinc/64/90/19/1011649019.db2.gz OWWNLRBKNRIYHN-SNAWJCMRSA-N 2 0 306.410 -0.660 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483096505 1011684529 /nfs/dbraw/zinc/68/45/29/1011684529.db2.gz CDGFXSSLCFMPCZ-ISZGNANSSA-N 2 0 321.425 -0.237 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001483740478 1012103837 /nfs/dbraw/zinc/10/38/37/1012103837.db2.gz HYZHLWAUKRFLOV-UHFFFAOYSA-N 2 0 306.410 -0.542 20 30 DBEDRP COCC#CC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001483779011 1012132844 /nfs/dbraw/zinc/13/28/44/1012132844.db2.gz PTHFPLOWEQMCFZ-UHFFFAOYSA-N 2 0 323.437 -0.015 20 30 DBEDRP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCC[NH+](C)C ZINC001483909226 1012201239 /nfs/dbraw/zinc/20/12/39/1012201239.db2.gz QUPOHUIICNZXNF-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955694 1012228803 /nfs/dbraw/zinc/22/88/03/1012228803.db2.gz OXLWXICISXGNFJ-ZDUSSCGKSA-N 2 0 307.398 -0.697 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001484253620 1012466186 /nfs/dbraw/zinc/46/61/86/1012466186.db2.gz YVLZOEINYKOLHM-RHSMWYFYSA-N 2 0 323.437 -0.735 20 30 DBEDRP COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001484488356 1012722598 /nfs/dbraw/zinc/72/25/98/1012722598.db2.gz XNJYZZZWIPNJPS-OAHLLOKOSA-N 2 0 311.426 -0.469 20 30 DBEDRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484886866 1012887642 /nfs/dbraw/zinc/88/76/42/1012887642.db2.gz CBGFECBFEINCSE-STQMWFEESA-N 2 0 321.425 -0.453 20 30 DBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497018226 1017198957 /nfs/dbraw/zinc/19/89/57/1017198957.db2.gz QUDKNCDCQDWSPV-AWEZNQCLSA-N 2 0 313.361 -0.029 20 30 DBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001497018596 1017199346 /nfs/dbraw/zinc/19/93/46/1017199346.db2.gz RIOABKRHKSDJKC-CQSZACIVSA-N 2 0 313.361 -0.029 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001497486289 1017394737 /nfs/dbraw/zinc/39/47/37/1017394737.db2.gz KFCWGJLMAYPFIV-AWEZNQCLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586530 1017432731 /nfs/dbraw/zinc/43/27/31/1017432731.db2.gz WMNVZZPMIHMANY-DWMWFBOSSA-N 2 0 320.437 -0.274 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001497622502 1017446583 /nfs/dbraw/zinc/44/65/83/1017446583.db2.gz BCUXUVOJBAASRX-ARJAWSKDSA-N 2 0 318.421 -0.374 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497888889 1017539674 /nfs/dbraw/zinc/53/96/74/1017539674.db2.gz AKRDNGFIRZDCEI-BARDWOONSA-N 2 0 322.453 -0.051 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498055886 1017597413 /nfs/dbraw/zinc/59/74/13/1017597413.db2.gz XVDMYWRMYBJCPI-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001499942011 1018218017 /nfs/dbraw/zinc/21/80/17/1018218017.db2.gz PSAPAWBEYZYBBD-AWEZNQCLSA-N 2 0 320.437 -0.035 20 30 DBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706635 1018420536 /nfs/dbraw/zinc/42/05/36/1018420536.db2.gz KLHBANHSHNVOJX-GDBMZVCRSA-N 2 0 309.410 -0.717 20 30 DBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001502568255 1019089961 /nfs/dbraw/zinc/08/99/61/1019089961.db2.gz PFQFKUSCWZXYJO-RDJZCZTQSA-N 2 0 305.422 -0.096 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001506825997 1019952342 /nfs/dbraw/zinc/95/23/42/1019952342.db2.gz OGPAFDFZEBKAJA-APIJFGDWSA-N 2 0 320.437 -0.630 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+][C@@H](C)COC)CC1 ZINC001507265986 1020262404 /nfs/dbraw/zinc/26/24/04/1020262404.db2.gz WUNAKRZSAIRTHC-ZFWWWQNUSA-N 2 0 311.426 -0.567 20 30 DBEDRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001507451839 1020330006 /nfs/dbraw/zinc/33/00/06/1020330006.db2.gz AJFAXFKSNSPSQR-CYBMUJFWSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CC(=O)NCC#N)C1 ZINC001566491277 1024208577 /nfs/dbraw/zinc/20/85/77/1024208577.db2.gz SAJGQGKPEDGZGW-ZDUSSCGKSA-N 2 0 309.414 -0.594 20 30 DBEDRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001566793244 1024373905 /nfs/dbraw/zinc/37/39/05/1024373905.db2.gz MQCSIGXYSUKLHH-HAQNSBGRSA-N 2 0 307.398 -0.653 20 30 DBEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001566850340 1024389412 /nfs/dbraw/zinc/38/94/12/1024389412.db2.gz ACFWVBSDJXCUTJ-MJBXVCDLSA-N 2 0 308.426 -0.038 20 30 DBEDRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001566852783 1024391442 /nfs/dbraw/zinc/39/14/42/1024391442.db2.gz GOSAMCJTPLYYEE-BETUJISGSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567088548 1024515871 /nfs/dbraw/zinc/51/58/71/1024515871.db2.gz PBENFBZBADJPTL-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567096832 1024517443 /nfs/dbraw/zinc/51/74/43/1024517443.db2.gz UVIITGZDLVQYCL-KBPBESRZSA-N 2 0 321.425 -0.309 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001567146813 1024550374 /nfs/dbraw/zinc/55/03/74/1024550374.db2.gz JMXSMTXSBQMGJD-ZDUSSCGKSA-N 2 0 309.414 -0.594 20 30 DBEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001567150753 1024552471 /nfs/dbraw/zinc/55/24/71/1024552471.db2.gz IVUODYVODPNHGB-UKRRQHHQSA-N 2 0 323.441 -0.350 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153116 1024553914 /nfs/dbraw/zinc/55/39/14/1024553914.db2.gz HVILRXXYMIPBPZ-QWHCGFSZSA-N 2 0 307.398 -0.984 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001567238374 1024592043 /nfs/dbraw/zinc/59/20/43/1024592043.db2.gz UPSRJYYWKLCZLD-PBHICJAKSA-N 2 0 320.437 -0.294 20 30 DBEDRP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567708508 1024812400 /nfs/dbraw/zinc/81/24/00/1024812400.db2.gz UATIGMDHSJPAOY-ZDUSSCGKSA-N 2 0 309.414 -0.594 20 30 DBEDRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NCC#N ZINC001567957906 1024850661 /nfs/dbraw/zinc/85/06/61/1024850661.db2.gz DNMWHBYOYNXPPS-KGLIPLIRSA-N 2 0 321.425 -0.548 20 30 DBEDRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NCC#N ZINC001567957905 1024850989 /nfs/dbraw/zinc/85/09/89/1024850989.db2.gz DNMWHBYOYNXPPS-KBPBESRZSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001567979935 1024854084 /nfs/dbraw/zinc/85/40/84/1024854084.db2.gz RMMVJDNCDIYWGX-OAHLLOKOSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001568176768 1024869965 /nfs/dbraw/zinc/86/99/65/1024869965.db2.gz XVAXMMMNYZUXDT-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001568470105 1024907354 /nfs/dbraw/zinc/90/73/54/1024907354.db2.gz HMFLVOVGJGQZAA-UONOGXRCSA-N 2 0 310.442 -0.029 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC(=O)NC)CC1 ZINC001568713691 1024993967 /nfs/dbraw/zinc/99/39/67/1024993967.db2.gz IJUPAAMELAHQMC-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568849960 1025046641 /nfs/dbraw/zinc/04/66/41/1025046641.db2.gz CXSXAAGBPJVEQL-LLYBFZRZSA-N 2 0 320.437 -0.129 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568849959 1025048333 /nfs/dbraw/zinc/04/83/33/1025048333.db2.gz CXSXAAGBPJVEQL-IYKSTZQJSA-N 2 0 320.437 -0.129 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)CC)CC1 ZINC001569099144 1025142523 /nfs/dbraw/zinc/14/25/23/1025142523.db2.gz RXNBHBNBEHOFPG-AWEZNQCLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC(=O)NCC)CC1 ZINC001569268699 1025189698 /nfs/dbraw/zinc/18/96/98/1025189698.db2.gz JNAZYYIBFGATDD-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001569416896 1025244357 /nfs/dbraw/zinc/24/43/57/1025244357.db2.gz TXJYSRQQDROBIE-ZDUSSCGKSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001569824737 1025371573 /nfs/dbraw/zinc/37/15/73/1025371573.db2.gz SVIZTVTYAVXTBG-GJZGRUSLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001569854392 1025375829 /nfs/dbraw/zinc/37/58/29/1025375829.db2.gz BFTSKTGCHYDZTE-HIFRSBDPSA-N 2 0 320.437 -0.499 20 30 DBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001569956376 1025444649 /nfs/dbraw/zinc/44/46/49/1025444649.db2.gz WWRSICOWPFZTNO-HNNXBMFYSA-N 2 0 311.426 -0.612 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001570163826 1025509448 /nfs/dbraw/zinc/50/94/48/1025509448.db2.gz PZVULGAVJYTOIB-INIZCTEOSA-N 2 0 323.437 -0.469 20 30 DBEDRP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570294277 1025567549 /nfs/dbraw/zinc/56/75/49/1025567549.db2.gz RFIBTHNFDNJTMC-NVXWUHKLSA-N 2 0 323.437 -0.469 20 30 DBEDRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001570343777 1025581109 /nfs/dbraw/zinc/58/11/09/1025581109.db2.gz DORWYGKCPBCSBN-JSGCOSHPSA-N 2 0 321.425 -0.453 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001570384850 1025594864 /nfs/dbraw/zinc/59/48/64/1025594864.db2.gz TVSPQIBSDNRMPE-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001570671026 1025701089 /nfs/dbraw/zinc/70/10/89/1025701089.db2.gz GNDCXELAHCAXAJ-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NCC#N ZINC001571419764 1025950505 /nfs/dbraw/zinc/95/05/05/1025950505.db2.gz XNJZTGPCCFKHEY-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001571443083 1026013564 /nfs/dbraw/zinc/01/35/64/1026013564.db2.gz ILUHJXRIXVKDGV-AWEZNQCLSA-N 2 0 307.398 -0.852 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)CC1 ZINC001571447999 1026020806 /nfs/dbraw/zinc/02/08/06/1026020806.db2.gz MRJXPBLALCXWGN-INIZCTEOSA-N 2 0 321.421 -0.952 20 30 DBEDRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001571563416 1026070977 /nfs/dbraw/zinc/07/09/77/1026070977.db2.gz JPKAQLGQXDVGHP-GFCCVEGCSA-N 2 0 309.414 -0.596 20 30 DBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595156269 375977955 /nfs/dbraw/zinc/97/79/55/375977955.db2.gz UGVARJKMACQELL-INIZCTEOSA-N 2 0 323.441 -0.300 20 30 DBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000595256789 375983394 /nfs/dbraw/zinc/98/33/94/375983394.db2.gz SBSBSAQYHJZMRH-CYBMUJFWSA-N 2 0 311.430 -0.124 20 30 DBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cnn(C)c1 ZINC000178509804 392790414 /nfs/dbraw/zinc/79/04/14/392790414.db2.gz 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320.437 -0.307 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317124700 806093147 /nfs/dbraw/zinc/09/31/47/806093147.db2.gz VWQRHMYEZUBQBJ-BARDWOONSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]C[C@@H](O)COC)CC1 ZINC001317292202 806123742 /nfs/dbraw/zinc/12/37/42/806123742.db2.gz AIFMFGSMZZWMBP-DZGCQCFKSA-N 2 0 311.426 -0.567 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317344075 806136149 /nfs/dbraw/zinc/13/61/49/806136149.db2.gz OIAOJIUUXLLYGM-CYBMUJFWSA-N 2 0 319.409 -0.840 20 30 DBEDRP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317536806 806181033 /nfs/dbraw/zinc/18/10/33/806181033.db2.gz YMLLDFSHMWFRKW-UONOGXRCSA-N 2 0 306.410 -0.874 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318561230 806312663 /nfs/dbraw/zinc/31/26/63/806312663.db2.gz HBNYPHBJABBMCR-KKUMJFAQSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001319237409 806356304 /nfs/dbraw/zinc/35/63/04/806356304.db2.gz AJKWGUIISDRBRD-ZDUSSCGKSA-N 2 0 308.426 -0.581 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319459570 806382227 /nfs/dbraw/zinc/38/22/27/806382227.db2.gz AHYDITZJHSCKAS-TZMCWYRMSA-N 2 0 321.425 -0.596 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319466542 806382982 /nfs/dbraw/zinc/38/29/82/806382982.db2.gz LYSPHGINLDSXOX-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001320643063 806512970 /nfs/dbraw/zinc/51/29/70/806512970.db2.gz BXAWXCVTICNPPT-DZGCQCFKSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC(=O)N(C)C)CC1 ZINC001320646836 806513512 /nfs/dbraw/zinc/51/35/12/806513512.db2.gz YXBCQDALDUQGHN-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001321567711 806641331 /nfs/dbraw/zinc/64/13/31/806641331.db2.gz MDWYEAFYGQMSQN-CYBMUJFWSA-N 2 0 306.410 -0.542 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001321950189 806692070 /nfs/dbraw/zinc/69/20/70/806692070.db2.gz UPNUBQLSFWOPSI-BFHYXJOUSA-N 2 0 308.426 -0.038 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC000876509406 806787178 /nfs/dbraw/zinc/78/71/78/806787178.db2.gz CSAVXMNKWVLJOE-INIZCTEOSA-N 2 0 313.405 -0.234 20 30 DBEDRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801826 806806033 /nfs/dbraw/zinc/80/60/33/806806033.db2.gz JJXDVQGBOHLYEO-UPJWGTAASA-N 2 0 302.382 -0.043 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877039521 806822284 /nfs/dbraw/zinc/82/22/84/806822284.db2.gz MGJYBQVROZKLFR-UKRRQHHQSA-N 2 0 300.362 -0.150 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001323109295 806825364 /nfs/dbraw/zinc/82/53/64/806825364.db2.gz QCPJMMQZZIBTPD-CQSZACIVSA-N 2 0 306.410 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ZINC001278155173 803761359 /nfs/dbraw/zinc/76/13/59/803761359.db2.gz NQGSVSWTBDLYTH-UONOGXRCSA-N 2 0 304.394 -0.156 20 30 DBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001278155174 803761670 /nfs/dbraw/zinc/76/16/70/803761670.db2.gz NQGSVSWTBDLYTH-ZIAGYGMSSA-N 2 0 304.394 -0.156 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278201403 803767761 /nfs/dbraw/zinc/76/77/61/803767761.db2.gz FZWWXUXTKNFKBK-LSDHHAIUSA-N 2 0 311.426 -0.423 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278418208 803790226 /nfs/dbraw/zinc/79/02/26/803790226.db2.gz ZFYIKAGBGJZCPO-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001278550781 803798725 /nfs/dbraw/zinc/79/87/25/803798725.db2.gz ZIXAMRJHXDJQQH-XJKSGUPXSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001278613182 803802018 /nfs/dbraw/zinc/80/20/18/803802018.db2.gz JDQLMPFEPXZSQZ-GJZGRUSLSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC001278728123 803809773 /nfs/dbraw/zinc/80/97/73/803809773.db2.gz BVINJOSHKTYLBI-HNNXBMFYSA-N 2 0 323.437 -0.157 20 30 DBEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC001278728124 803810085 /nfs/dbraw/zinc/81/00/85/803810085.db2.gz BVINJOSHKTYLBI-OAHLLOKOSA-N 2 0 323.437 -0.157 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1 ZINC001280706474 804006747 /nfs/dbraw/zinc/00/67/47/804006747.db2.gz CYFNBTFTTJPLAO-ZIAGYGMSSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001280884320 804032363 /nfs/dbraw/zinc/03/23/63/804032363.db2.gz ZFIDLWZIMICGAJ-HUUCEWRRSA-N 2 0 322.453 -0.144 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001281991129 804240131 /nfs/dbraw/zinc/24/01/31/804240131.db2.gz RSDPUQMQDZXZMB-WXRRBKDZSA-N 2 0 307.398 -0.795 20 30 DBEDRP CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001282067212 804250835 /nfs/dbraw/zinc/25/08/35/804250835.db2.gz UHRBGTXLDSLJEU-BPCQOVAHSA-N 2 0 309.414 -0.549 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000773530373 804403064 /nfs/dbraw/zinc/40/30/64/804403064.db2.gz KOZJKFFMCUIVFS-MRXNPFEDSA-N 2 0 304.438 -0.162 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001283102799 804414958 /nfs/dbraw/zinc/41/49/58/804414958.db2.gz ZNYXPNSAMKITST-HDJSIYSDSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001283983949 804617797 /nfs/dbraw/zinc/61/77/97/804617797.db2.gz AMCBMAGSWWJRAK-KBPBESRZSA-N 2 0 320.437 -0.201 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001284246095 804666590 /nfs/dbraw/zinc/66/65/90/804666590.db2.gz NACDORQXGAOSAV-UONOGXRCSA-N 2 0 323.441 -0.159 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001284455304 804711951 /nfs/dbraw/zinc/71/19/51/804711951.db2.gz DCMSXPAJYWRLIN-HUUCEWRRSA-N 2 0 313.442 -0.369 20 30 DBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884249162 807043390 /nfs/dbraw/zinc/04/33/90/807043390.db2.gz FLYREQZVVQPWLX-CHWSQXEVSA-N 2 0 300.366 -0.667 20 30 DBEDRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884213951 807040268 /nfs/dbraw/zinc/04/02/68/807040268.db2.gz QDMVVCQXAIMYHE-IOSBVQAASA-N 2 0 306.410 -0.037 20 30 DBEDRP CCO[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1C[NH3+] ZINC000884386697 807047655 /nfs/dbraw/zinc/04/76/55/807047655.db2.gz XIDFSDNWDSTLGT-NTTUHNMPSA-N 2 0 306.410 -0.052 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001325580420 807082580 /nfs/dbraw/zinc/08/25/80/807082580.db2.gz GGAAWOWBRGFNLU-KGLIPLIRSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327188227 807247035 /nfs/dbraw/zinc/24/70/35/807247035.db2.gz IUTJGTKNXIKDNV-CQSZACIVSA-N 2 0 308.426 -0.390 20 30 DBEDRP C=C1[C@H](C(=O)NCCC[NH+](C)C)[C@@H]1C(=O)NCCC[NH+](C)C ZINC000899920340 807276430 /nfs/dbraw/zinc/27/64/30/807276430.db2.gz MZRRJSIASSRPLI-OKILXGFUSA-N 2 0 310.442 -0.076 20 30 DBEDRP C=C1[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000900163655 807291669 /nfs/dbraw/zinc/29/16/69/807291669.db2.gz SNMHAXKFUHHVGN-XCCSTKFXSA-N 2 0 310.442 -0.079 20 30 DBEDRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001328941206 807491367 /nfs/dbraw/zinc/49/13/67/807491367.db2.gz OPEYQRCXWQNNDH-HSBZDZAISA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC)CC1 ZINC001329203999 807538275 /nfs/dbraw/zinc/53/82/75/807538275.db2.gz WYJBAXCCLQAKPM-ZIAGYGMSSA-N 2 0 322.453 -0.050 20 30 DBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001329465602 807570665 /nfs/dbraw/zinc/57/06/65/807570665.db2.gz PVPSPAAUCOKSTR-ZIAGYGMSSA-N 2 0 321.425 -0.322 20 30 DBEDRP 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317.433 -0.142 20 30 DBEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833446 817454971 /nfs/dbraw/zinc/45/49/71/817454971.db2.gz NYIJJAHPIONJTJ-QXSJWSMHSA-N 2 0 303.406 -0.127 20 30 DBEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@H]2C1 ZINC001048862220 817462647 /nfs/dbraw/zinc/46/26/47/817462647.db2.gz UFSJWTMBPAWQLS-XHSDSOJGSA-N 2 0 315.421 -0.163 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275373 820440046 /nfs/dbraw/zinc/44/00/46/820440046.db2.gz IXUVUUPKUMYBMY-KFWWJZLASA-N 2 0 316.409 -0.405 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418511 822107066 /nfs/dbraw/zinc/10/70/66/822107066.db2.gz SBNQDGIUGYYBLD-VXSWHIBVSA-N 2 0 319.405 -0.966 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2OC)CC1 ZINC001082383250 824434048 /nfs/dbraw/zinc/43/40/48/824434048.db2.gz OEWZUAXDHVAXFN-HUUCEWRRSA-N 2 0 309.410 -0.861 20 30 DBEDRP 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CC(C)N(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161353780 833007230 /nfs/dbraw/zinc/00/72/30/833007230.db2.gz ZKGDTNVKPZYRJO-TUAOUCFPSA-N 2 0 319.427 -0.708 20 30 DBEDRP C#CC[C@]1(C(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC001161480203 833022953 /nfs/dbraw/zinc/02/29/53/833022953.db2.gz OEBAALVWUCPWFI-KBRIMQKVSA-N 2 0 319.405 -0.115 20 30 DBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001161492679 833026918 /nfs/dbraw/zinc/02/69/18/833026918.db2.gz UZCKVRLFOOISHM-JTQLQIEISA-N 2 0 314.411 -0.689 20 30 DBEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161536273 833032133 /nfs/dbraw/zinc/03/21/33/833032133.db2.gz BEMPYKJCFZCRSW-OLZOCXBDSA-N 2 0 322.409 -0.301 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161644104 833044047 /nfs/dbraw/zinc/04/40/47/833044047.db2.gz HZKMPRGQSVOVEV-HNNXBMFYSA-N 2 0 322.453 -0.048 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001274299071 833058130 /nfs/dbraw/zinc/05/81/30/833058130.db2.gz SGAACCMTDGXYGT-QWHCGFSZSA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161864068 833061314 /nfs/dbraw/zinc/06/13/14/833061314.db2.gz WHJZBHVNWUZSEH-UHFFFAOYSA-N 2 0 313.361 -0.207 20 30 DBEDRP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274553781 833095919 /nfs/dbraw/zinc/09/59/19/833095919.db2.gz ALPWKWUTOYRQQI-BZUAXINKSA-N 2 0 323.437 -0.376 20 30 DBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050061 826797428 /nfs/dbraw/zinc/79/74/28/826797428.db2.gz BLHDFVNABZSLRQ-HZPDHXFCSA-N 2 0 323.437 -0.328 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100447252 826967054 /nfs/dbraw/zinc/96/70/54/826967054.db2.gz UREXBRUIRKGKMM-NRXISQOPSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100618559 826991710 /nfs/dbraw/zinc/99/17/10/826991710.db2.gz NTBMYLYSKCLNKY-UHFFFAOYSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638491 826995713 /nfs/dbraw/zinc/99/57/13/826995713.db2.gz NMIGPOZDNZCJNG-HSBZDZAISA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635022 826995849 /nfs/dbraw/zinc/99/58/49/826995849.db2.gz XKZUEUJEBXJVQJ-UHFFFAOYSA-N 2 0 320.437 -0.438 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163223499 833139498 /nfs/dbraw/zinc/13/94/98/833139498.db2.gz JUFASZZQCSPKNU-OAHLLOKOSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980905 827056936 /nfs/dbraw/zinc/05/69/36/827056936.db2.gz LUDDJJCGDLHNHL-ROKHWSDSSA-N 2 0 306.410 -0.828 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984293 827058610 /nfs/dbraw/zinc/05/86/10/827058610.db2.gz CLLQFJVLSUHUBJ-WLYUNCDWSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C 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SNGLOGVWDPSJHJ-JHJVBQTASA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941629 827565886 /nfs/dbraw/zinc/56/58/86/827565886.db2.gz FMOUKVSZXSIYAU-RBSFLKMASA-N 2 0 320.437 -0.486 20 30 DBEDRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001165436923 833245326 /nfs/dbraw/zinc/24/53/26/833245326.db2.gz MQXRWGKSZXQGFD-AWEZNQCLSA-N 2 0 315.377 -0.060 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794578 833259382 /nfs/dbraw/zinc/25/93/82/833259382.db2.gz XAMHGKHKBJCGHF-UHFFFAOYSA-N 2 0 311.430 -0.204 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626876 833276574 /nfs/dbraw/zinc/27/65/74/833276574.db2.gz LIZCLIXSORBKEW-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166758068 833280692 /nfs/dbraw/zinc/28/06/92/833280692.db2.gz BSJCKZZFJOAUKZ-UHFFFAOYSA-N 2 0 309.414 -0.546 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167481052 833299971 /nfs/dbraw/zinc/29/99/71/833299971.db2.gz YLHBQHSNSHUJAH-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167640029 833305556 /nfs/dbraw/zinc/30/55/56/833305556.db2.gz KPEJPRYMCWELOY-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167814667 833311369 /nfs/dbraw/zinc/31/13/69/833311369.db2.gz BBABZTMDUHQWHQ-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168023046 833316076 /nfs/dbraw/zinc/31/60/76/833316076.db2.gz SUODBFACIOXZBK-ZIAGYGMSSA-N 2 0 321.425 -0.261 20 30 DBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+](C)C ZINC001175056743 833386948 /nfs/dbraw/zinc/38/69/48/833386948.db2.gz PDCMRMBSMAQEFZ-ZDUSSCGKSA-N 2 0 311.430 -0.158 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176110275 833400684 /nfs/dbraw/zinc/40/06/84/833400684.db2.gz JJCXZLSZNDXHQD-CQSZACIVSA-N 2 0 308.426 -0.035 20 30 DBEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001120588942 829398864 /nfs/dbraw/zinc/39/88/64/829398864.db2.gz IXILXAZZKUSUOD-HZPDHXFCSA-N 2 0 311.474 -0.192 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563951 833408706 /nfs/dbraw/zinc/40/87/06/833408706.db2.gz IMIPBZWQQUQPCZ-HUUCEWRRSA-N 2 0 322.453 -0.048 20 30 DBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563943 833408982 /nfs/dbraw/zinc/40/89/82/833408982.db2.gz IJOVFDRBBSTLLT-KBPBESRZSA-N 2 0 323.441 -0.158 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288078 829566007 /nfs/dbraw/zinc/56/60/07/829566007.db2.gz MELPYTRLFRDPLY-MRXNPFEDSA-N 2 0 313.405 -0.234 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176844955 833424503 /nfs/dbraw/zinc/42/45/03/833424503.db2.gz PAYARRVCHHPXCY-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176844656 833424807 /nfs/dbraw/zinc/42/48/07/833424807.db2.gz NEWOJFRFNJMRCY-STQMWFEESA-N 2 0 309.414 -0.405 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481770 830014767 /nfs/dbraw/zinc/01/47/67/830014767.db2.gz WREUQLAJAVIGOD-GJZGRUSLSA-N 2 0 320.437 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128534115 830096044 /nfs/dbraw/zinc/09/60/44/830096044.db2.gz VXZXSAMCKWYGFJ-GFCCVEGCSA-N 2 0 300.378 -0.879 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328398 830172188 /nfs/dbraw/zinc/17/21/88/830172188.db2.gz PDIGAKAPTYFOJY-HUUCEWRRSA-N 2 0 322.453 -0.192 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129410946 830179419 /nfs/dbraw/zinc/17/94/19/830179419.db2.gz RVVYLGCDWWLJRL-ZDUSSCGKSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129418964 830180236 /nfs/dbraw/zinc/18/02/36/830180236.db2.gz YZFVRWISISJGOV-AWEZNQCLSA-N 2 0 308.426 -0.296 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429933 830181169 /nfs/dbraw/zinc/18/11/69/830181169.db2.gz NBMANZSYBKSDQH-CQSZACIVSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125674 830268318 /nfs/dbraw/zinc/26/83/18/830268318.db2.gz ZWGVRLZMJYNOEF-CABCVRRESA-N 2 0 316.409 -0.261 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187506 830277201 /nfs/dbraw/zinc/27/72/01/830277201.db2.gz WTNUAYVTHBTBMR-ZIAGYGMSSA-N 2 0 306.410 -0.542 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130187503 830278485 /nfs/dbraw/zinc/27/84/85/830278485.db2.gz WTNUAYVTHBTBMR-KBPBESRZSA-N 2 0 306.410 -0.542 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197398 830279781 /nfs/dbraw/zinc/27/97/81/830279781.db2.gz HQCXMGVLAPALSM-LLVKDONJSA-N 2 0 313.402 -0.956 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192660 830279860 /nfs/dbraw/zinc/27/98/60/830279860.db2.gz QMBJMMOHRMXVSP-OLZOCXBDSA-N 2 0 307.398 -0.651 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130229824 830286150 /nfs/dbraw/zinc/28/61/50/830286150.db2.gz AOGKQYAOWDQWQD-UHFFFAOYSA-N 2 0 311.426 -0.300 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130553529 830340033 /nfs/dbraw/zinc/34/00/33/830340033.db2.gz JMRLLTUYEDLOPW-UHFFFAOYSA-N 2 0 319.409 -0.084 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708666 830368070 /nfs/dbraw/zinc/36/80/70/830368070.db2.gz CVQHXAYEENJYPY-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130708664 830368354 /nfs/dbraw/zinc/36/83/54/830368354.db2.gz CVQHXAYEENJYPY-CABCVRRESA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810371 830387398 /nfs/dbraw/zinc/38/73/98/830387398.db2.gz SXPRRVCHZHQYBA-CYBMUJFWSA-N 2 0 306.410 -0.542 20 30 DBEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519966 830478956 /nfs/dbraw/zinc/47/89/56/830478956.db2.gz PFGVTJQNXOSGKC-BBBYJDLNSA-N 2 0 309.410 -0.242 20 30 DBEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692781 830509816 /nfs/dbraw/zinc/50/98/16/830509816.db2.gz KQYZZPNSDLSMQA-NVXWUHKLSA-N 2 0 323.437 -0.110 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790238 830530497 /nfs/dbraw/zinc/53/04/97/830530497.db2.gz JHMRZGUFPIWOGI-ZFWWWQNUSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985543 830726355 /nfs/dbraw/zinc/72/63/55/830726355.db2.gz IICRORLDOHDHET-LBPRGKRZSA-N 2 0 320.393 -0.202 20 30 DBEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133091605 830740170 /nfs/dbraw/zinc/74/01/70/830740170.db2.gz SQFUSXODRSQXCO-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133091603 830740796 /nfs/dbraw/zinc/74/07/96/830740796.db2.gz SQFUSXODRSQXCO-KGLIPLIRSA-N 2 0 323.441 -0.348 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001133824039 830831703 /nfs/dbraw/zinc/83/17/03/830831703.db2.gz WJWXKCVNWSKRML-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853603 830840107 /nfs/dbraw/zinc/84/01/07/830840107.db2.gz LUENQOVBRTVPFP-CQSZACIVSA-N 2 0 323.441 -0.204 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607987 830954459 /nfs/dbraw/zinc/95/44/59/830954459.db2.gz OYJUNFAUAVPDMF-CHWSQXEVSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134763463 830975809 /nfs/dbraw/zinc/97/58/09/830975809.db2.gz ZPKGCARNCFCFDQ-CQSZACIVSA-N 2 0 308.426 -0.296 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093143 831009455 /nfs/dbraw/zinc/00/94/55/831009455.db2.gz ITYIUGGQCGIYBG-STQMWFEESA-N 2 0 307.398 -0.651 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267305 833711242 /nfs/dbraw/zinc/71/12/42/833711242.db2.gz MRZOUDJTIOMBMW-HIFRSBDPSA-N 2 0 308.426 -0.181 20 30 DBEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001135477311 831074896 /nfs/dbraw/zinc/07/48/96/831074896.db2.gz BHKMGOMHZPNQPR-AWEZNQCLSA-N 2 0 311.430 -0.302 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135511175 831079036 /nfs/dbraw/zinc/07/90/36/831079036.db2.gz KFEPSWLUIMRXQY-UHFFFAOYSA-N 2 0 313.402 -0.954 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647038 833725937 /nfs/dbraw/zinc/72/59/37/833725937.db2.gz BRBNRXUIUGPBTG-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939339 831139575 /nfs/dbraw/zinc/13/95/75/831139575.db2.gz YOUISSGYZYJDOG-KGLIPLIRSA-N 2 0 320.437 -0.296 20 30 DBEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135975809 831143715 /nfs/dbraw/zinc/14/37/15/831143715.db2.gz COQDAEXVUTUQLR-STQMWFEESA-N 2 0 311.430 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976942 831143971 /nfs/dbraw/zinc/14/39/71/831143971.db2.gz OLPLJALQKQHHLP-KBPBESRZSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135976943 831144188 /nfs/dbraw/zinc/14/41/88/831144188.db2.gz OLPLJALQKQHHLP-KGLIPLIRSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146391793 831278610 /nfs/dbraw/zinc/27/86/10/831278610.db2.gz KBDVOISOJCCHJN-CQSZACIVSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826215 831409937 /nfs/dbraw/zinc/40/99/37/831409937.db2.gz SKVOXQCFRXIKIA-KBPBESRZSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147977128 831420783 /nfs/dbraw/zinc/42/07/83/831420783.db2.gz KEJURMITAWGUHI-CYBMUJFWSA-N 2 0 306.410 -0.425 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148057834 831427012 /nfs/dbraw/zinc/42/70/12/831427012.db2.gz MSKUTPAFCSASCM-GFCCVEGCSA-N 2 0 317.393 -0.395 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051437 831428196 /nfs/dbraw/zinc/42/81/96/831428196.db2.gz JNLXMCNVAOVNGD-UHFFFAOYSA-N 2 0 305.382 -0.231 20 30 DBEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587431 831630915 /nfs/dbraw/zinc/63/09/15/831630915.db2.gz HODLOHFXLKILOE-HNNXBMFYSA-N 2 0 311.426 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361315 831680027 /nfs/dbraw/zinc/68/00/27/831680027.db2.gz FHFUPOKNHDSJKM-UHFFFAOYSA-N 2 0 308.426 -0.292 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001152330998 831741998 /nfs/dbraw/zinc/74/19/98/831741998.db2.gz YQUXJBMBGOGUFL-CQSZACIVSA-N 2 0 318.421 -0.825 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001152334559 831742530 /nfs/dbraw/zinc/74/25/30/831742530.db2.gz HOAOPNQOZSCOLB-AWEZNQCLSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCCCC)CC1 ZINC001152334359 831742700 /nfs/dbraw/zinc/74/27/00/831742700.db2.gz BRZKGLZKKLWBHJ-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP CN(c1ncc2c(c1C#N)CCC[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156231709 831975770 /nfs/dbraw/zinc/97/57/70/831975770.db2.gz NQVLBYNEBRIFBP-UHFFFAOYSA-N 2 0 309.395 -0.286 20 30 DBEDRP C#CC[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCC[NH2+]1 ZINC001158118987 832091764 /nfs/dbraw/zinc/09/17/64/832091764.db2.gz FLBVPZJMRBZIAM-IAGOWNOFSA-N 2 0 316.405 -0.930 20 30 DBEDRP C=C1C[NH2+][C@](C)(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158121884 832092640 /nfs/dbraw/zinc/09/26/40/832092640.db2.gz XYYGNCYQXKIZTD-GOEBONIOSA-N 2 0 304.394 -0.767 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001158166976 832094691 /nfs/dbraw/zinc/09/46/91/832094691.db2.gz FTBSBLKTIQHRQH-OWCLPIDISA-N 2 0 314.389 -0.125 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001269136126 832147590 /nfs/dbraw/zinc/14/75/90/832147590.db2.gz UXEHOCOAKQILDD-ZFWWWQNUSA-N 2 0 320.437 -0.438 20 30 DBEDRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159155864 832160083 /nfs/dbraw/zinc/16/00/83/832160083.db2.gz VLDHKIUDHXXWIK-LBPRGKRZSA-N 2 0 315.393 -0.598 20 30 DBEDRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185676446 833805752 /nfs/dbraw/zinc/80/57/52/833805752.db2.gz XRIMCJPHYYPFDV-CYBMUJFWSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185724300 833808412 /nfs/dbraw/zinc/80/84/12/833808412.db2.gz XXEYDMYRLOAAJX-CQSZACIVSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001269522418 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DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861848 832853609 /nfs/dbraw/zinc/85/36/09/832853609.db2.gz SFNGLKBRQXHDGK-CYBMUJFWSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159901430 832856292 /nfs/dbraw/zinc/85/62/92/832856292.db2.gz HIICFQUOWDDCRO-AWEZNQCLSA-N 2 0 323.441 -0.015 20 30 DBEDRP CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001161073171 832972776 /nfs/dbraw/zinc/97/27/76/832972776.db2.gz JTGJNEJWFBQGCA-MNOVXSKESA-N 2 0 319.427 -0.706 20 30 DBEDRP C[C@@H](C#N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161144150 832983871 /nfs/dbraw/zinc/98/38/71/832983871.db2.gz IVUSLWLIXWPYRE-AVGNSLFASA-N 2 0 309.414 -0.196 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178357374 833502530 /nfs/dbraw/zinc/50/25/30/833502530.db2.gz ZKVFINRDBVVFEW-MELADBBJSA-N 2 0 306.410 -0.591 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C 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307.398 -0.842 20 30 DBEDRP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277216522 833934540 /nfs/dbraw/zinc/93/45/40/833934540.db2.gz DLYLSMNWSQDPLP-ZIAGYGMSSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001188091751 833964682 /nfs/dbraw/zinc/96/46/82/833964682.db2.gz NUWCPAWIVJSBSA-DZGCQCFKSA-N 2 0 320.437 -0.343 20 30 DBEDRP C=CCCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239451396 834400127 /nfs/dbraw/zinc/40/01/27/834400127.db2.gz KRXWWNUYMQDVOH-UHFFFAOYSA-N 2 0 301.460 -0.447 20 30 DBEDRP CC[NH+](CC)CC(=O)N1CC[C@H](N(C)CC(=O)NCC#N)C1 ZINC001192958075 834447473 /nfs/dbraw/zinc/44/74/73/834447473.db2.gz DRZJPTBDVBAFHO-ZDUSSCGKSA-N 2 0 309.414 -0.499 20 30 DBEDRP N#C[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CCN1 ZINC001246677657 834448474 /nfs/dbraw/zinc/44/84/74/834448474.db2.gz VYXARXKEPWUJRW-LSDHHAIUSA-N 2 0 305.426 -0.226 20 30 DBEDRP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 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CUUTUENHFKGQLP-HIFRSBDPSA-N 2 0 320.437 -0.201 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265360380 835134026 /nfs/dbraw/zinc/13/40/26/835134026.db2.gz KSPUBNPWZOYKRK-ZIAGYGMSSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200637435 835141628 /nfs/dbraw/zinc/14/16/28/835141628.db2.gz UJXBPRVFTZESQC-UKRRQHHQSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001265445348 835141658 /nfs/dbraw/zinc/14/16/58/835141658.db2.gz LKXBXUXDOZDERV-GXTWGEPZSA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265478403 835146227 /nfs/dbraw/zinc/14/62/27/835146227.db2.gz BURGTKDNXSKEQM-AIEDFZFUSA-N 2 0 320.437 -0.299 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265509160 835148569 /nfs/dbraw/zinc/14/85/69/835148569.db2.gz UTGPSWUBXDIFPO-MGPQQGTHSA-N 2 0 308.426 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DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266531707 835330402 /nfs/dbraw/zinc/33/04/02/835330402.db2.gz CEDNAGGZQQOOPT-LSDHHAIUSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001266539996 835333449 /nfs/dbraw/zinc/33/34/49/835333449.db2.gz MYWDWOAMNQXTDG-CQSZACIVSA-N 2 0 308.426 -0.484 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266551278 835334788 /nfs/dbraw/zinc/33/47/88/835334788.db2.gz OVEHZXIVPRAJBK-CABCVRRESA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266686007 835360550 /nfs/dbraw/zinc/36/05/50/835360550.db2.gz QRJIHDVYFOVERM-QLFBSQMISA-N 2 0 318.421 -0.686 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266699861 835364394 /nfs/dbraw/zinc/36/43/94/835364394.db2.gz QWPYXVCCRMFKME-CQSZACIVSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001266729052 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308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267047469 835435707 /nfs/dbraw/zinc/43/57/07/835435707.db2.gz OLPFSXCCORSOMP-UONOGXRCSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267069520 835439586 /nfs/dbraw/zinc/43/95/86/835439586.db2.gz YKKHVJZPUOGNDE-UONOGXRCSA-N 2 0 306.410 -0.874 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206953426 835444084 /nfs/dbraw/zinc/44/40/84/835444084.db2.gz JVHPPLAVZPWGEG-UHFFFAOYSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC)CC1 ZINC001268015305 835620380 /nfs/dbraw/zinc/62/03/80/835620380.db2.gz JPUCRSKVMZKWSR-CQSZACIVSA-N 2 0 322.453 -0.190 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001268100523 835632677 /nfs/dbraw/zinc/63/26/77/835632677.db2.gz XRGDWSGINLRBJD-HIFRSBDPSA-N 2 0 320.437 -0.343 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001268138208 835636000 /nfs/dbraw/zinc/63/60/00/835636000.db2.gz AWIVEIXOGVFTFX-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCOC2)CC1 ZINC001268336118 835671801 /nfs/dbraw/zinc/67/18/01/835671801.db2.gz ZGIFZLARTSJUHW-ZBFHGGJFSA-N 2 0 323.437 -0.565 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001268336117 835671830 /nfs/dbraw/zinc/67/18/30/835671830.db2.gz ZGIFZLARTSJUHW-HOCLYGCPSA-N 2 0 323.437 -0.565 20 30 DBEDRP CC(C)(C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001268572427 835735404 /nfs/dbraw/zinc/73/54/04/835735404.db2.gz LXKXFAZTEMRSGG-ARJAWSKDSA-N 2 0 321.425 -0.237 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001485687096 1013324229 /nfs/dbraw/zinc/32/42/29/1013324229.db2.gz RSXULYDKQBKFOQ-DZKIICNBSA-N 2 0 322.453 -0.194 20 30 DBEDRP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714223 1013334800 /nfs/dbraw/zinc/33/48/00/1013334800.db2.gz CGXKAVVUBGVFKP-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCC[NH+](C)C ZINC001486121295 1013685137 /nfs/dbraw/zinc/68/51/37/1013685137.db2.gz JIAGEWCESUULDU-OLZOCXBDSA-N 2 0 309.414 -0.453 20 30 DBEDRP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCC[NH+](C)C ZINC001486121296 1013685780 /nfs/dbraw/zinc/68/57/80/1013685780.db2.gz JIAGEWCESUULDU-QWHCGFSZSA-N 2 0 309.414 -0.453 20 30 DBEDRP COCC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001486495921 1013849315 /nfs/dbraw/zinc/84/93/15/1013849315.db2.gz GPCGWLCAWDQRNE-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207688061 978236699 /nfs/dbraw/zinc/23/66/99/978236699.db2.gz LKEMCEBFMCKXJQ-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070603 978315318 /nfs/dbraw/zinc/31/53/18/978315318.db2.gz NXVGUPUKLRSWSR-RBSFLKMASA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328982 978344939 /nfs/dbraw/zinc/34/49/39/978344939.db2.gz LTEXQANNMKABID-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001208340782 978346176 /nfs/dbraw/zinc/34/61/76/978346176.db2.gz PTRUCZMUDHIKSR-ZDUSSCGKSA-N 2 0 321.425 -0.309 20 30 DBEDRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001208372713 978352272 /nfs/dbraw/zinc/35/22/72/978352272.db2.gz AEPNTEWQKGSLPJ-ZFWWWQNUSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001208423480 978362445 /nfs/dbraw/zinc/36/24/45/978362445.db2.gz LJBAGFBQVJMLQU-LSDHHAIUSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424415 978364610 /nfs/dbraw/zinc/36/46/10/978364610.db2.gz YLTMCOBRALQUQS-UONOGXRCSA-N 2 0 321.425 -0.309 20 30 DBEDRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001209483685 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N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218637152 978839298 /nfs/dbraw/zinc/83/92/98/978839298.db2.gz GQZJUAUZGBQMJJ-NSHDSACASA-N 2 0 322.332 -0.780 20 30 DBEDRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001219651879 978987079 /nfs/dbraw/zinc/98/70/79/978987079.db2.gz YRYSQHKESXPVPK-KKOKHZNYSA-N 2 0 319.427 -0.945 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737581 979002873 /nfs/dbraw/zinc/00/28/73/979002873.db2.gz ZOBHBQOBWZTLQK-CABCVRRESA-N 2 0 314.389 -0.077 20 30 DBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803772 979018156 /nfs/dbraw/zinc/01/81/56/979018156.db2.gz FLQUBNIRKXNFPY-QLFBSQMISA-N 2 0 311.426 -0.310 20 30 DBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802390 979018795 /nfs/dbraw/zinc/01/87/95/979018795.db2.gz LXOZJIVVTGEJRN-KGLIPLIRSA-N 2 0 311.426 -0.165 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1O ZINC001219821580 979024194 /nfs/dbraw/zinc/02/41/94/979024194.db2.gz RUGXPALCTUXTIK-PMPSAXMXSA-N 2 0 323.437 -0.328 20 30 DBEDRP C#CC[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219839132 979028694 /nfs/dbraw/zinc/02/86/94/979028694.db2.gz XRKBSFVNRPMCEN-HYVNUMGLSA-N 2 0 321.421 -0.357 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387104 979186040 /nfs/dbraw/zinc/18/60/40/979186040.db2.gz BVGOZDZRGHWJOJ-OAGGEKHMSA-N 2 0 323.437 -0.328 20 30 DBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429557 979196820 /nfs/dbraw/zinc/19/68/20/979196820.db2.gz USSQNQDWUYHZOZ-BMFZPTHFSA-N 2 0 314.389 -0.034 20 30 DBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429558 979197523 /nfs/dbraw/zinc/19/75/23/979197523.db2.gz USSQNQDWUYHZOZ-IMJJTQAJSA-N 2 0 314.389 -0.034 20 30 DBEDRP C#CCCC1(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)N=N1 ZINC001221411616 979418959 /nfs/dbraw/zinc/41/89/59/979418959.db2.gz ZMLNAEANDKMWFQ-CYBMUJFWSA-N 2 0 306.414 -0.181 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001222613350 979521783 /nfs/dbraw/zinc/52/17/83/979521783.db2.gz XPNJLMYVXUCLSR-HNNXBMFYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225428240 979597293 /nfs/dbraw/zinc/59/72/93/979597293.db2.gz YYHCOTPJRLZFFR-HNNXBMFYSA-N 2 0 320.437 -0.484 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC(=O)NCC#N)CC1 ZINC001331074834 979854971 /nfs/dbraw/zinc/85/49/71/979854971.db2.gz OTHHOCHWGCBGPR-UHFFFAOYSA-N 2 0 323.441 -0.111 20 30 DBEDRP C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001331584518 979891475 /nfs/dbraw/zinc/89/14/75/979891475.db2.gz LRKBXZPPLSDPLL-NEPJUHHUSA-N 2 0 320.397 -0.335 20 30 DBEDRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001490888599 1015150782 /nfs/dbraw/zinc/15/07/82/1015150782.db2.gz DPHRNLBHIZQSNR-FDYHWXHSSA-N 2 0 307.398 -0.797 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001490947036 1015168524 /nfs/dbraw/zinc/16/85/24/1015168524.db2.gz VWQRHMYEZUBQBJ-AJNGGQMLSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001491017847 1015194430 /nfs/dbraw/zinc/19/44/30/1015194430.db2.gz BURGTKDNXSKEQM-ARILJUKYSA-N 2 0 320.437 -0.299 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491026320 1015196572 /nfs/dbraw/zinc/19/65/72/1015196572.db2.gz NAUUQJUFHYXVQQ-QLFBSQMISA-N 2 0 320.437 -0.153 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001491365874 1015374292 /nfs/dbraw/zinc/37/42/92/1015374292.db2.gz ZCKMJJQJIKVJCN-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001491560948 1015489047 /nfs/dbraw/zinc/48/90/47/1015489047.db2.gz STWHCYOMLHAICV-RDBSUJKOSA-N 2 0 308.426 -0.440 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376874992 990363136 /nfs/dbraw/zinc/36/31/36/990363136.db2.gz FVFRKKNPJPTNHV-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001493186783 1015865135 /nfs/dbraw/zinc/86/51/35/1015865135.db2.gz ZQTUWUFFISIXIW-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494180306 1016185358 /nfs/dbraw/zinc/18/53/58/1016185358.db2.gz JSNYPALHGODZEZ-AWEZNQCLSA-N 2 0 321.425 -0.498 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)COC)C2)CC1 ZINC001494739322 1016408456 /nfs/dbraw/zinc/40/84/56/1016408456.db2.gz VKGYRPGPOARWDX-HOTGVXAUSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001495301367 1016608096 /nfs/dbraw/zinc/60/80/96/1016608096.db2.gz UDVLWCQVFDMESU-GUYCJALGSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1cnn(C)n1 ZINC001496080844 1016833925 /nfs/dbraw/zinc/83/39/25/1016833925.db2.gz RZAILGSYXQMVPG-HIFRSBDPSA-N 2 0 318.425 -0.151 20 30 DBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001496371779 1016898341 /nfs/dbraw/zinc/89/83/41/1016898341.db2.gz UFDYVMNSFWHKHY-KGLIPLIRSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001496371778 1016899179 /nfs/dbraw/zinc/89/91/79/1016899179.db2.gz UFDYVMNSFWHKHY-KBPBESRZSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1C[NH+](C)C ZINC001418944219 1004726735 /nfs/dbraw/zinc/72/67/35/1004726735.db2.gz NCHLIFWLTMHDMJ-CHWSQXEVSA-N 2 0 319.413 -0.652 20 30 DBEDRP CN1CC[NH+](CCCCNC(=O)NCC#CC[NH+](C)C)CC1 ZINC001477923679 1010124081 /nfs/dbraw/zinc/12/40/81/1010124081.db2.gz CSDXXJFDFOGKGN-UHFFFAOYSA-N 2 0 309.458 -0.122 20 30 DBEDRP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NCC#N ZINC001479860190 1010422557 /nfs/dbraw/zinc/42/25/57/1010422557.db2.gz WGQGUPGPJMZVBN-UHFFFAOYSA-N 2 0 321.425 -0.450 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001480117557 1010541607 /nfs/dbraw/zinc/54/16/07/1010541607.db2.gz NJMGBMUFJUUTCR-IHRRRGAJSA-N 2 0 308.426 -0.345 20 30 DBEDRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001480301351 1010606862 /nfs/dbraw/zinc/60/68/62/1010606862.db2.gz VNJBZCRYQLLWGY-UONOGXRCSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NCC#N ZINC001480494918 1010667770 /nfs/dbraw/zinc/66/77/70/1010667770.db2.gz LFVCOOIMQXELSB-GFCCVEGCSA-N 2 0 307.398 -0.651 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480709833 1010740358 /nfs/dbraw/zinc/74/03/58/1010740358.db2.gz GUMPPCWBQQAZDQ-ZIAGYGMSSA-N 2 0 321.425 -0.261 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001481290237 1010882579 /nfs/dbraw/zinc/88/25/79/1010882579.db2.gz FTCQRTVDVHOWTD-CABCVRRESA-N 2 0 320.437 -0.199 20 30 DBEDRP COCC#CCN1CC[C@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001481719581 1010979702 /nfs/dbraw/zinc/97/97/02/1010979702.db2.gz IEHQTFZIHKZWLY-LSDHHAIUSA-N 2 0 309.410 -0.501 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481812741 1011005422 /nfs/dbraw/zinc/00/54/22/1011005422.db2.gz SIZXUCKOSKZCOB-MGPQQGTHSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C1([NH+](C)C)CCC1 ZINC001481818427 1011006492 /nfs/dbraw/zinc/00/64/92/1011006492.db2.gz ITAOORLRCWMPBM-CYBMUJFWSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC#N)CC1 ZINC001482022684 1011039876 /nfs/dbraw/zinc/03/98/76/1011039876.db2.gz LPXLIUSPQUQELJ-HDJSIYSDSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482100188 1011051855 /nfs/dbraw/zinc/05/18/55/1011051855.db2.gz BCBJPZIALRNLKH-GJZGRUSLSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482329608 1011120236 /nfs/dbraw/zinc/12/02/36/1011120236.db2.gz CRDYJKPLIIPJPT-QWHCGFSZSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001482696620 1011270577 /nfs/dbraw/zinc/27/05/77/1011270577.db2.gz CXXNSWPQAXFARX-GJZGRUSLSA-N 2 0 322.453 -0.050 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482970170 1011566151 /nfs/dbraw/zinc/56/61/51/1011566151.db2.gz OVRPFZQKKIVQNX-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483144917 1011736986 /nfs/dbraw/zinc/73/69/86/1011736986.db2.gz GKKWPIWBZNGKMS-KGLIPLIRSA-N 2 0 320.437 -0.153 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001483297127 1011831163 /nfs/dbraw/zinc/83/11/63/1011831163.db2.gz XUWSHSLTOCERIH-JSGCOSHPSA-N 2 0 308.426 -0.310 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483605791 1011962883 /nfs/dbraw/zinc/96/28/83/1011962883.db2.gz SHZJUAYXYJQOJN-KGLIPLIRSA-N 2 0 306.410 -0.828 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001483759464 1012118755 /nfs/dbraw/zinc/11/87/55/1012118755.db2.gz IADLBYKVKWWKST-KBPBESRZSA-N 2 0 320.437 -0.153 20 30 DBEDRP CC(C)[C@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001483765238 1012124402 /nfs/dbraw/zinc/12/44/02/1012124402.db2.gz LDENRTAOLDAIFG-CYBMUJFWSA-N 2 0 309.414 -0.549 20 30 DBEDRP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCC[NH+](C)C ZINC001483909227 1012200142 /nfs/dbraw/zinc/20/01/42/1012200142.db2.gz QUPOHUIICNZXNF-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001483913852 1012204440 /nfs/dbraw/zinc/20/44/40/1012204440.db2.gz KHIRHXXOJYJFQG-KBPBESRZSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001483952369 1012226453 /nfs/dbraw/zinc/22/64/53/1012226453.db2.gz VPZVEKQAHNOATA-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484534788 1012762963 /nfs/dbraw/zinc/76/29/63/1012762963.db2.gz AAVOKHLJCMLVRP-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496991715 1017175222 /nfs/dbraw/zinc/17/52/22/1017175222.db2.gz MOQJRJQPYQKHFH-CABCVRRESA-N 2 0 311.426 -0.423 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497613140 1017443531 /nfs/dbraw/zinc/44/35/31/1017443531.db2.gz XXZHNZGTUCRBNC-OOPCZODUSA-N 2 0 307.398 -0.628 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC)CC1 ZINC001497991178 1017565940 /nfs/dbraw/zinc/56/59/40/1017565940.db2.gz WGTRBXLMMXWFNI-UKRRQHHQSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001497990579 1017566834 /nfs/dbraw/zinc/56/68/34/1017566834.db2.gz MHNWBNYUMFNBNX-CYBMUJFWSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC=C)CC1 ZINC001497990585 1017568450 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C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)CC1 ZINC000491497338 393816385 /nfs/dbraw/zinc/81/63/85/393816385.db2.gz XGCGHUJGDVNDDX-QGZVFWFLSA-N 2 0 305.422 -0.096 20 30 DBEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000491735185 393826915 /nfs/dbraw/zinc/82/69/15/393826915.db2.gz JSBBQCFHCKYKTF-AWEZNQCLSA-N 2 0 324.425 -0.312 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000491782899 393831339 /nfs/dbraw/zinc/83/13/39/393831339.db2.gz MWCVLDXYZJAHAM-HNNXBMFYSA-N 2 0 309.458 -0.123 20 30 DBEDRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC#CC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000560194872 332318490 /nfs/dbraw/zinc/31/84/90/332318490.db2.gz LWBPBRZHQRWEDD-KPWCQOOUSA-N 2 0 306.410 -0.782 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419702822 337491478 /nfs/dbraw/zinc/49/14/78/337491478.db2.gz CBPFTQDMJTZIHH-STQMWFEESA-N 2 0 308.426 -0.038 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)CC(N)=O)C2)CC1 ZINC000980477394 665767484 /nfs/dbraw/zinc/76/74/84/665767484.db2.gz GKYICWIAPROALA-CQSZACIVSA-N 2 0 306.410 -0.650 20 30 DBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCC(=O)N(C)C1 ZINC000261645770 665947846 /nfs/dbraw/zinc/94/78/46/665947846.db2.gz FAVIAFMXWDSUSP-ZIAGYGMSSA-N 2 0 322.457 -0.838 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC000970789069 664050388 /nfs/dbraw/zinc/05/03/88/664050388.db2.gz UJTMXRKMBXUSJF-TZMCWYRMSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC000970789066 664050541 /nfs/dbraw/zinc/05/05/41/664050541.db2.gz UJTMXRKMBXUSJF-GXTWGEPZSA-N 2 0 306.410 -0.604 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911235311 674696074 /nfs/dbraw/zinc/69/60/74/674696074.db2.gz BUNKRZTWWMVZMW-MRXNPFEDSA-N 2 0 324.425 -0.935 20 30 DBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CCN(C)CC1 ZINC000170912769 674908574 /nfs/dbraw/zinc/90/85/74/674908574.db2.gz QBJPRVFOHNNAQG-AWEZNQCLSA-N 3 0 324.473 -0.461 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001028601671 670883904 /nfs/dbraw/zinc/88/39/04/670883904.db2.gz SQDAJRJSMCOIQW-KBPBESRZSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698613 670967637 /nfs/dbraw/zinc/96/76/37/670967637.db2.gz OABKHMLPVIKUKS-UJEKJILKSA-N 2 0 303.406 -0.079 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CCN(C2CC2)C1 ZINC000261976580 671163080 /nfs/dbraw/zinc/16/30/80/671163080.db2.gz NQRBXMYBXFJOLH-UKRRQHHQSA-N 3 0 306.458 -0.612 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H]2C)CC1 ZINC000987577611 671698933 /nfs/dbraw/zinc/69/89/33/671698933.db2.gz VGDCUXDMVJDCDM-OCCSQVGLSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC000999870703 678761444 /nfs/dbraw/zinc/76/14/44/678761444.db2.gz PIVXANANVXZHHL-GRTSSRMGSA-N 2 0 320.437 -0.216 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)CC1 ZINC000999871797 678761546 /nfs/dbraw/zinc/76/15/46/678761546.db2.gz ZITBXUAFMKEVEF-UHFFFAOYSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001002143996 678970259 /nfs/dbraw/zinc/97/02/59/678970259.db2.gz CUQIGGRRUFPBET-UHFFFAOYSA-N 2 0 320.437 -0.355 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000844038119 805642540 /nfs/dbraw/zinc/64/25/40/805642540.db2.gz WJVNRQSKKCRGPI-CQSZACIVSA-N 2 0 320.437 -0.090 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001316620512 805970012 /nfs/dbraw/zinc/97/00/12/805970012.db2.gz NMIGPOZDNZCJNG-MELADBBJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316638830 805973666 /nfs/dbraw/zinc/97/36/66/805973666.db2.gz BLNRACLELIHDMB-IHRRRGAJSA-N 2 0 308.426 -0.440 20 30 DBEDRP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000852873581 805984166 /nfs/dbraw/zinc/98/41/66/805984166.db2.gz ZDEFBSADRXAIHT-OAHLLOKOSA-N 2 0 306.454 -0.011 20 30 DBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852907044 805989640 /nfs/dbraw/zinc/98/96/40/805989640.db2.gz BVOJKMXWYXNBRF-UHFFFAOYSA-N 2 0 308.426 -0.532 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317079281 806083827 /nfs/dbraw/zinc/08/38/27/806083827.db2.gz HSBDOVYCKGGNEJ-TUVASFSCSA-N 2 0 322.453 -0.053 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001317112477 806090864 /nfs/dbraw/zinc/09/08/64/806090864.db2.gz MPIOLRMZYCSUKV-ZNMIVQPWSA-N 2 0 320.437 -0.153 20 30 DBEDRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317189117 806104898 /nfs/dbraw/zinc/10/48/98/806104898.db2.gz LTTXXLQMNXJQHK-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317336753 806135519 /nfs/dbraw/zinc/13/55/19/806135519.db2.gz WLZADBWFAOLNFA-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317344076 806136294 /nfs/dbraw/zinc/13/62/94/806136294.db2.gz OIAOJIUUXLLYGM-ZDUSSCGKSA-N 2 0 319.409 -0.840 20 30 DBEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317392708 806143023 /nfs/dbraw/zinc/14/30/23/806143023.db2.gz FFYFIVLZCINAQO-ZIAGYGMSSA-N 2 0 323.441 -0.017 20 30 DBEDRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001317411247 806145941 /nfs/dbraw/zinc/14/59/41/806145941.db2.gz DCUJIDLBMKHIKF-STQMWFEESA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317536804 806181053 /nfs/dbraw/zinc/18/10/53/806181053.db2.gz YMLLDFSHMWFRKW-KBPBESRZSA-N 2 0 306.410 -0.874 20 30 DBEDRP C#CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422784 806296738 /nfs/dbraw/zinc/29/67/38/806296738.db2.gz BIWUSHMVTNPSKO-LSDHHAIUSA-N 2 0 322.453 -0.001 20 30 DBEDRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243346 806356313 /nfs/dbraw/zinc/35/63/13/806356313.db2.gz CUGFOBHRQQKHOV-OLZOCXBDSA-N 2 0 309.414 -0.690 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001319237408 806356654 /nfs/dbraw/zinc/35/66/54/806356654.db2.gz AJKWGUIISDRBRD-CYBMUJFWSA-N 2 0 308.426 -0.581 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001319942467 806421062 /nfs/dbraw/zinc/42/10/62/806421062.db2.gz BBYYCYSBKHTMMW-GJZGRUSLSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320609999 806509327 /nfs/dbraw/zinc/50/93/27/806509327.db2.gz ZBKKHJMZEFAJJC-KBPBESRZSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321249089 806594610 /nfs/dbraw/zinc/59/46/10/806594610.db2.gz HYSOVNCGVOSQKE-WSNITJDQSA-N 2 0 306.410 -0.660 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321756835 806666652 /nfs/dbraw/zinc/66/66/52/806666652.db2.gz RDAMDLWYHALVOF-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001321756879 806666999 /nfs/dbraw/zinc/66/69/99/806666999.db2.gz SNXFCZCKLWVQAR-CYBMUJFWSA-N 2 0 319.409 -0.934 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001322090080 806709881 /nfs/dbraw/zinc/70/98/81/806709881.db2.gz YNVMQEMQQGDNDF-GXTWGEPZSA-N 2 0 306.410 -0.686 20 30 DBEDRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801828 806805605 /nfs/dbraw/zinc/80/56/05/806805605.db2.gz JJXDVQGBOHLYEO-YNEHKIRRSA-N 2 0 302.382 -0.043 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001323440644 806874537 /nfs/dbraw/zinc/87/45/37/806874537.db2.gz BTWQACQFTTXERE-CHWSQXEVSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278417135 803790191 /nfs/dbraw/zinc/79/01/91/803790191.db2.gz SUBGRKGXINWNRJ-UONOGXRCSA-N 2 0 318.421 -0.589 20 30 DBEDRP CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305065829 803837988 /nfs/dbraw/zinc/83/79/88/803837988.db2.gz IQVWRWHJPALPMC-VXGBXAGGSA-N 2 0 302.444 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC(N)=O)C2)CC1 ZINC001279046802 803871082 /nfs/dbraw/zinc/87/10/82/803871082.db2.gz UAOOEMJXAREMCP-ZFWWWQNUSA-N 2 0 320.437 -0.357 20 30 DBEDRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001280197804 803940267 /nfs/dbraw/zinc/94/02/67/803940267.db2.gz KGTPUAGGPWIOBK-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[NH+](C)C1(C(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)CCC1 ZINC001280485127 803965270 /nfs/dbraw/zinc/96/52/70/803965270.db2.gz DVANLHXMPPFNEG-UHFFFAOYSA-N 2 0 321.425 -0.261 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001280630176 803993951 /nfs/dbraw/zinc/99/39/51/803993951.db2.gz RGJCABVEDHNPJY-CYBMUJFWSA-N 2 0 312.414 -0.943 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1 ZINC001280706460 804006686 /nfs/dbraw/zinc/00/66/86/804006686.db2.gz CYFNBTFTTJPLAO-KBPBESRZSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000773530369 804402716 /nfs/dbraw/zinc/40/27/16/804402716.db2.gz KOZJKFFMCUIVFS-INIZCTEOSA-N 2 0 304.438 -0.162 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C2CC2)CC1 ZINC001283556539 804529058 /nfs/dbraw/zinc/52/90/58/804529058.db2.gz JNTFMMRBYGJGIK-HNNXBMFYSA-N 2 0 320.437 -0.357 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283611670 804538814 /nfs/dbraw/zinc/53/88/14/804538814.db2.gz IRAAZSHYRYKEIA-HIFRSBDPSA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283611669 804539151 /nfs/dbraw/zinc/53/91/51/804539151.db2.gz IRAAZSHYRYKEIA-DZGCQCFKSA-N 2 0 320.437 -0.486 20 30 DBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001283769537 804569796 /nfs/dbraw/zinc/56/97/96/804569796.db2.gz FHTKHKXBOZQMRD-AWEZNQCLSA-N 2 0 309.410 -0.669 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001283922000 804606236 /nfs/dbraw/zinc/60/62/36/804606236.db2.gz FXVHWLWJGFTFJS-UONOGXRCSA-N 2 0 320.437 -0.037 20 30 DBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001284424600 804702727 /nfs/dbraw/zinc/70/27/27/804702727.db2.gz JDGCHTXRHOPITM-CQSZACIVSA-N 2 0 313.442 -0.060 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769861 807005179 /nfs/dbraw/zinc/00/51/79/807005179.db2.gz HEYMYFLTMYBYIF-CZUORRHYSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001326988418 807229697 /nfs/dbraw/zinc/22/96/97/807229697.db2.gz AQZFBYSZVLUJFH-OAHLLOKOSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001327606446 807312597 /nfs/dbraw/zinc/31/25/97/807312597.db2.gz CCJHSOHFXOLFKG-RDJZCZTQSA-N 2 0 323.437 -0.469 20 30 DBEDRP C#C[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001327695129 807325056 /nfs/dbraw/zinc/32/50/56/807325056.db2.gz UZRAOONUCRZTTO-OAHLLOKOSA-N 2 0 322.453 -0.190 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001327971202 807363217 /nfs/dbraw/zinc/36/32/17/807363217.db2.gz ZMLGMIBIIWWPGE-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329203336 807538331 /nfs/dbraw/zinc/53/83/31/807538331.db2.gz SIGPRJWPOYPZDE-KBPBESRZSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001329486292 807575406 /nfs/dbraw/zinc/57/54/06/807575406.db2.gz LMFPCKYKEZBMPT-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN2C)CC1 ZINC000930010907 807859171 /nfs/dbraw/zinc/85/91/71/807859171.db2.gz WNEHMCLKIIVARU-CQSZACIVSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN2C)CC1 ZINC000930010906 807859310 /nfs/dbraw/zinc/85/93/10/807859310.db2.gz WNEHMCLKIIVARU-AWEZNQCLSA-N 2 0 308.426 -0.037 20 30 DBEDRP CC#CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332075833 807869524 /nfs/dbraw/zinc/86/95/24/807869524.db2.gz TXKBOQAVPKIIBU-HUUCEWRRSA-N 2 0 322.453 -0.334 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001332112733 807872436 /nfs/dbraw/zinc/87/24/36/807872436.db2.gz QWHIQTSOFBQTCC-PBHICJAKSA-N 2 0 320.437 -0.199 20 30 DBEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001332676822 807965643 /nfs/dbraw/zinc/96/56/43/807965643.db2.gz FHZOEAKLJVVTHI-HUUCEWRRSA-N 2 0 313.442 -0.108 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001332839348 807986046 /nfs/dbraw/zinc/98/60/46/807986046.db2.gz WJTJQNXMCZBCRV-OLZOCXBDSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCN(C(=O)C(=O)NC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC001340435881 808636872 /nfs/dbraw/zinc/63/68/72/808636872.db2.gz YXIKZPMKQQMYPT-UHFFFAOYSA-N 2 0 320.437 -0.247 20 30 DBEDRP C#CC[NH2+]CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001341601510 808691350 /nfs/dbraw/zinc/69/13/50/808691350.db2.gz VSMOGHUGQDKIQL-UHFFFAOYSA-N 2 0 316.405 -0.183 20 30 DBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001341634675 808693046 /nfs/dbraw/zinc/69/30/46/808693046.db2.gz SAJBWVVDZVTOAC-UONOGXRCSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CC[NH2+]CC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001341691347 808694670 /nfs/dbraw/zinc/69/46/70/808694670.db2.gz WWFUYWRVLZLEAK-UHFFFAOYSA-N 2 0 300.406 -0.069 20 30 DBEDRP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598595 809973937 /nfs/dbraw/zinc/97/39/37/809973937.db2.gz KLGMRZDNSZCIQH-SWLSCSKDSA-N 2 0 302.378 -0.197 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC000958724873 810012908 /nfs/dbraw/zinc/01/29/08/810012908.db2.gz USICKYGSEDQUAZ-HZPDHXFCSA-N 2 0 323.437 -0.877 20 30 DBEDRP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958723909 810013028 /nfs/dbraw/zinc/01/30/28/810013028.db2.gz KJECISJKJPXNJG-IRXDYDNUSA-N 2 0 317.433 -0.236 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCOC)C[C@H]2O)CC1 ZINC000958724366 810013376 /nfs/dbraw/zinc/01/33/76/810013376.db2.gz OCYYJYSRJHNQBW-JKSUJKDBSA-N 2 0 323.437 -0.613 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000968954997 811520464 /nfs/dbraw/zinc/52/04/64/811520464.db2.gz ZLDCRLKXXFCUCR-MCIONIFRSA-N 2 0 304.394 -0.837 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001019814141 814238464 /nfs/dbraw/zinc/23/84/64/814238464.db2.gz UJTMXRKMBXUSJF-OCCSQVGLSA-N 2 0 306.410 -0.604 20 30 DBEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076261 816752040 /nfs/dbraw/zinc/75/20/40/816752040.db2.gz LGFTYWNWHKFFSK-MRXNPFEDSA-N 2 0 316.449 -0.066 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070311057 820443740 /nfs/dbraw/zinc/44/37/40/820443740.db2.gz LUKNEECLVMXUNR-KGLIPLIRSA-N 2 0 314.393 -0.651 20 30 DBEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326874 820445180 /nfs/dbraw/zinc/44/51/80/820445180.db2.gz GZIMRJSVSOVJLS-MJBXVCDLSA-N 2 0 304.398 -0.243 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745672 828735772 /nfs/dbraw/zinc/73/57/72/828735772.db2.gz DCIGIANESZTIIL-TTZDDIAXSA-N 2 0 320.437 -0.488 20 30 DBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086432426 825257512 /nfs/dbraw/zinc/25/75/12/825257512.db2.gz VHLNUKQIBSTLBN-MLURZJSDSA-N 2 0 303.406 -0.033 20 30 DBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126265 828790390 /nfs/dbraw/zinc/79/03/90/828790390.db2.gz LHNKPRZBOGRCDD-FOLVSLTJSA-N 2 0 309.410 -0.739 20 30 DBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090271462 825616928 /nfs/dbraw/zinc/61/69/28/825616928.db2.gz IODIIQJPHLCALF-HIFRSBDPSA-N 2 0 321.425 -0.204 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243519 828814313 /nfs/dbraw/zinc/81/43/13/828814313.db2.gz PHBFJUIMUNKQNJ-TTZDDIAXSA-N 2 0 318.421 -0.734 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226604 832991878 /nfs/dbraw/zinc/99/18/78/832991878.db2.gz KUICXRWPYXOCFE-CYBMUJFWSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(N)=O)C2)CC1 ZINC001091377595 825956449 /nfs/dbraw/zinc/95/64/49/825956449.db2.gz OODHTWFBIRFUGT-UHFFFAOYSA-N 2 0 306.410 -0.699 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001091377250 825957023 /nfs/dbraw/zinc/95/70/23/825957023.db2.gz DSZYNXJDBWTGFI-OPFPJEHXSA-N 2 0 320.437 -0.310 20 30 DBEDRP CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161338582 833007130 /nfs/dbraw/zinc/00/71/30/833007130.db2.gz FTZZIBHZEWIVTN-TUAOUCFPSA-N 2 0 319.427 -0.706 20 30 DBEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161649815 833044993 /nfs/dbraw/zinc/04/49/93/833044993.db2.gz XPKDWLNWIWXACF-AWEZNQCLSA-N 2 0 323.441 -0.158 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)C1 ZINC001274371583 833069721 /nfs/dbraw/zinc/06/97/21/833069721.db2.gz XTGCGXYYQZMZCJ-IBUXWKBASA-N 2 0 307.398 -0.770 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274398233 833071743 /nfs/dbraw/zinc/07/17/43/833071743.db2.gz GWOOESMDNFMCEY-CYBMUJFWSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCOC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274553780 833095648 /nfs/dbraw/zinc/09/56/48/833095648.db2.gz ALPWKWUTOYRQQI-ARFHVFGLSA-N 2 0 323.437 -0.376 20 30 DBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100055981 826800735 /nfs/dbraw/zinc/80/07/35/826800735.db2.gz MLNFNRDHSRFGGJ-HOTGVXAUSA-N 2 0 323.437 -0.328 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001274612470 833110403 /nfs/dbraw/zinc/11/04/03/833110403.db2.gz ZRLZFYAZAMOWQU-LLYBFZRZSA-N 2 0 320.437 -0.143 20 30 DBEDRP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109481 826861428 /nfs/dbraw/zinc/86/14/28/826861428.db2.gz GEGLRCYVTOJMSH-GJZGRUSLSA-N 2 0 311.426 -0.164 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100186043 826905485 /nfs/dbraw/zinc/90/54/85/826905485.db2.gz XJUJBZWUOAEPRX-RUXDESIVSA-N 2 0 306.410 -0.686 20 30 DBEDRP C[N@H+](CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001100411003 826959781 /nfs/dbraw/zinc/95/97/81/826959781.db2.gz ZJTJOFUHFGSBDY-UHFFFAOYSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410636 826959837 /nfs/dbraw/zinc/95/98/37/826959837.db2.gz GJVLTEYSUKCQPH-UHFFFAOYSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100447199 826966908 /nfs/dbraw/zinc/96/69/08/826966908.db2.gz SEBVZFCLAWXZKR-JXQTWKCFSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769676 827020191 /nfs/dbraw/zinc/02/01/91/827020191.db2.gz WGAYQOBHBKNFSO-UHFFFAOYSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100890148 827041151 /nfs/dbraw/zinc/04/11/51/827041151.db2.gz NUOGJSOOACETOX-UHFFFAOYSA-N 2 0 323.441 -0.158 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163223498 833139885 /nfs/dbraw/zinc/13/98/85/833139885.db2.gz JUFASZZQCSPKNU-HNNXBMFYSA-N 2 0 321.425 -0.404 20 30 DBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819446 827152328 /nfs/dbraw/zinc/15/23/28/827152328.db2.gz IIANUYZQAMICMS-MCIONIFRSA-N 2 0 321.425 -0.596 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318636 827198093 /nfs/dbraw/zinc/19/80/93/827198093.db2.gz CAXYJDCYZOVEGQ-ZIAGYGMSSA-N 2 0 308.426 -0.628 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001275305703 833169597 /nfs/dbraw/zinc/16/95/97/833169597.db2.gz XIABGPUTYPJAKY-NFOMZHRRSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163834194 833172145 /nfs/dbraw/zinc/17/21/45/833172145.db2.gz VIPOFEFEPLBWEM-UHFFFAOYSA-N 2 0 308.426 -0.294 20 30 DBEDRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001165246528 833232410 /nfs/dbraw/zinc/23/24/10/833232410.db2.gz SRFOKQNDPOUPKC-UHFFFAOYSA-N 2 0 321.381 -0.310 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106840290 827681806 /nfs/dbraw/zinc/68/18/06/827681806.db2.gz GGAAWOWBRGFNLU-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N ZINC001276012133 833234939 /nfs/dbraw/zinc/23/49/39/833234939.db2.gz PMMDHWBLNZFALI-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP N#Cc1c2c(cnc1N1CCNC(=O)C13C[NH2+]C3)C[NH2+]CCC2 ZINC001165298673 833238475 /nfs/dbraw/zinc/23/84/75/833238475.db2.gz ZUFGIOHQIBKISS-UHFFFAOYSA-N 2 0 312.377 -0.733 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776494 833259021 /nfs/dbraw/zinc/25/90/21/833259021.db2.gz JITJTVWIAJITTN-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744444 833280670 /nfs/dbraw/zinc/28/06/70/833280670.db2.gz XINUYZBYDDBPBS-UHFFFAOYSA-N 2 0 310.442 -0.190 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030384 833316055 /nfs/dbraw/zinc/31/60/55/833316055.db2.gz NVHZCMTVHCTIBJ-GJZGRUSLSA-N 2 0 320.437 -0.151 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001168137461 833318223 /nfs/dbraw/zinc/31/82/23/833318223.db2.gz OAZWFLBRHVRNCD-CYBMUJFWSA-N 2 0 321.425 -0.546 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168146408 833318228 /nfs/dbraw/zinc/31/82/28/833318228.db2.gz HINPIBYLABLBCD-UHFFFAOYSA-N 2 0 320.437 -0.292 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168137526 833318317 /nfs/dbraw/zinc/31/83/17/833318317.db2.gz OOQCMEQKGJYYOW-CQSZACIVSA-N 2 0 320.437 -0.436 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127417 833335117 /nfs/dbraw/zinc/33/51/17/833335117.db2.gz OFYDEGLFMLVVOV-UHFFFAOYSA-N 2 0 308.426 -0.436 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176152805 833401827 /nfs/dbraw/zinc/40/18/27/833401827.db2.gz LEOVGOGMUIRQTR-HNNXBMFYSA-N 2 0 311.426 -0.300 20 30 DBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCCC1 ZINC001176573198 833408743 /nfs/dbraw/zinc/40/87/43/833408743.db2.gz JXZYGJCEAZDKJN-AWEZNQCLSA-N 2 0 323.441 -0.013 20 30 DBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563944 833408914 /nfs/dbraw/zinc/40/89/14/833408914.db2.gz IJOVFDRBBSTLLT-KGLIPLIRSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563952 833409009 /nfs/dbraw/zinc/40/90/09/833409009.db2.gz IMIPBZWQQUQPCZ-LSDHHAIUSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001276390071 833423469 /nfs/dbraw/zinc/42/34/69/833423469.db2.gz WNYVUXIEKXZBPB-BMFZPTHFSA-N 2 0 323.437 -0.472 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nnnn2C)CC1 ZINC001176926422 833437950 /nfs/dbraw/zinc/43/79/50/833437950.db2.gz LSKWLNSODPFXNK-UHFFFAOYSA-N 2 0 319.413 -0.849 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001176926702 833437992 /nfs/dbraw/zinc/43/79/92/833437992.db2.gz UIBDGYWRBBWVQH-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001176997736 833445888 /nfs/dbraw/zinc/44/58/88/833445888.db2.gz YSTBYBQLGPZDRZ-OAHLLOKOSA-N 2 0 323.441 -0.158 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179983112 833565676 /nfs/dbraw/zinc/56/56/76/833565676.db2.gz LKKHWGPBFPCRFP-STQMWFEESA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481266 830014328 /nfs/dbraw/zinc/01/43/28/830014328.db2.gz QRTRPYRTWLHVJJ-TZMCWYRMSA-N 2 0 306.410 -0.828 20 30 DBEDRP C=CCOCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558864 830017597 /nfs/dbraw/zinc/01/75/97/830017597.db2.gz UKJRDIZTIUWWTH-UHFFFAOYSA-N 2 0 309.414 -0.033 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128544521 830095591 /nfs/dbraw/zinc/09/55/91/830095591.db2.gz NUCQBVDNJFSRMC-UHFFFAOYSA-N 2 0 322.434 -0.122 20 30 DBEDRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128551680 830097182 /nfs/dbraw/zinc/09/71/82/830097182.db2.gz FEJULTJOOUQRRW-UHFFFAOYSA-N 2 0 323.422 -0.231 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436516 830182142 /nfs/dbraw/zinc/18/21/42/830182142.db2.gz QDMIWFNPCIQREV-HNNXBMFYSA-N 2 0 323.441 -0.205 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994390 830242934 /nfs/dbraw/zinc/24/29/34/830242934.db2.gz LDQHGEUHQICRFM-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107167 830264225 /nfs/dbraw/zinc/26/42/25/830264225.db2.gz HCRMVCFTRPYXSM-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130166310 830273001 /nfs/dbraw/zinc/27/30/01/830273001.db2.gz GBTQVPQDCZUFEJ-UHFFFAOYSA-N 2 0 307.398 -0.792 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187504 830277151 /nfs/dbraw/zinc/27/71/51/830277151.db2.gz WTNUAYVTHBTBMR-KGLIPLIRSA-N 2 0 306.410 -0.542 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130708667 830368623 /nfs/dbraw/zinc/36/86/23/830368623.db2.gz CVQHXAYEENJYPY-LSDHHAIUSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519967 830479451 /nfs/dbraw/zinc/47/94/51/830479451.db2.gz PFGVTJQNXOSGKC-NPCAHTBFSA-N 2 0 309.410 -0.242 20 30 DBEDRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NCC#N)CCCCC1 ZINC001131794411 830534454 /nfs/dbraw/zinc/53/44/54/830534454.db2.gz YGBAXYYDSZSHIQ-UHFFFAOYSA-N 2 0 323.441 -0.156 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132739573 830689102 /nfs/dbraw/zinc/68/91/02/830689102.db2.gz SFSCLANGWOQEQY-LSDHHAIUSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090196 830740708 /nfs/dbraw/zinc/74/07/08/830740708.db2.gz DHVOFQJEJAGQMB-GJZGRUSLSA-N 2 0 322.453 -0.238 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001133824038 830832267 /nfs/dbraw/zinc/83/22/67/830832267.db2.gz WJWXKCVNWSKRML-KGLIPLIRSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783417 830977818 /nfs/dbraw/zinc/97/78/18/830977818.db2.gz WOHYOMUCKLNBKS-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182615710 833683868 /nfs/dbraw/zinc/68/38/68/833683868.db2.gz NBXBQNMSPDHSKU-HUUCEWRRSA-N 2 0 320.437 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299089 831047438 /nfs/dbraw/zinc/04/74/38/831047438.db2.gz UEQRBHIWWOSDQA-UONOGXRCSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299087 831047795 /nfs/dbraw/zinc/04/77/95/831047795.db2.gz UEQRBHIWWOSDQA-KBPBESRZSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337282 831052362 /nfs/dbraw/zinc/05/23/62/831052362.db2.gz YLDDSCBCZSHKJR-UHFFFAOYSA-N 2 0 316.405 -0.183 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377574 831062949 /nfs/dbraw/zinc/06/29/49/831062949.db2.gz ATNICQYFTQVFLT-ZIAGYGMSSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135391213 831067253 /nfs/dbraw/zinc/06/72/53/831067253.db2.gz RGWULUQEIPYHBY-CHWSQXEVSA-N 2 0 323.441 -0.159 20 30 DBEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C(C)C ZINC001135477312 831075024 /nfs/dbraw/zinc/07/50/24/831075024.db2.gz BHKMGOMHZPNQPR-CQSZACIVSA-N 2 0 311.430 -0.302 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135858505 831130672 /nfs/dbraw/zinc/13/06/72/831130672.db2.gz YVHYTLGLMRDYRX-UONOGXRCSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939341 831139808 /nfs/dbraw/zinc/13/98/08/831139808.db2.gz YOUISSGYZYJDOG-ZIAGYGMSSA-N 2 0 320.437 -0.296 20 30 DBEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CS)NC(C)=O ZINC001144415706 831253825 /nfs/dbraw/zinc/25/38/25/831253825.db2.gz WHHWVQVDSCJTGD-JTQLQIEISA-N 2 0 303.432 -0.515 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146391792 831278948 /nfs/dbraw/zinc/27/89/48/831278948.db2.gz KBDVOISOJCCHJN-AWEZNQCLSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC)CC1 ZINC001146569642 831284436 /nfs/dbraw/zinc/28/44/36/831284436.db2.gz BORHIYDACDQXFR-UONOGXRCSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065850 831661960 /nfs/dbraw/zinc/66/19/60/831661960.db2.gz NRIBDXUZOJPNLZ-CQSZACIVSA-N 2 0 308.426 -0.156 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236884 831735755 /nfs/dbraw/zinc/73/57/55/831735755.db2.gz HIWVEODNDMPNFZ-UHFFFAOYSA-N 2 0 316.405 -0.183 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152458621 831752682 /nfs/dbraw/zinc/75/26/82/831752682.db2.gz RRZIALYABGTWGT-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC1(C#N)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157693959 832057371 /nfs/dbraw/zinc/05/73/71/832057371.db2.gz KGTXXBFZFYMCPW-STQMWFEESA-N 2 0 321.425 -0.194 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039273 832085322 /nfs/dbraw/zinc/08/53/22/832085322.db2.gz RWSTZUOQJPCCNY-LSDHHAIUSA-N 2 0 320.437 -0.294 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196512 832098335 /nfs/dbraw/zinc/09/83/35/832098335.db2.gz NDHHIBAFAADLBN-AWEZNQCLSA-N 2 0 308.426 -0.274 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288242 832103691 /nfs/dbraw/zinc/10/36/91/832103691.db2.gz SFWYWTZBYJNSPD-UHFFFAOYSA-N 2 0 321.425 -0.196 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487039 832117941 /nfs/dbraw/zinc/11/79/41/832117941.db2.gz VISQRRUPBHHTPO-LSDHHAIUSA-N 2 0 309.410 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001269415847 832430409 /nfs/dbraw/zinc/43/04/09/832430409.db2.gz LUPUOSAROUUTNG-CHWSQXEVSA-N 2 0 306.410 -0.686 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001269428306 832431764 /nfs/dbraw/zinc/43/17/64/832431764.db2.gz KSVUZBAPUFYWRN-KGLIPLIRSA-N 2 0 318.421 -0.447 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001269428841 832433026 /nfs/dbraw/zinc/43/30/26/832433026.db2.gz SYIVCXFJRZBHRE-HNNXBMFYSA-N 2 0 303.406 -0.028 20 30 DBEDRP C[C@@H](CC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1)n1ccnc1 ZINC001269496831 832441776 /nfs/dbraw/zinc/44/17/76/832441776.db2.gz BWTZEBOSCIXAFM-LBPRGKRZSA-N 2 0 318.381 -0.288 20 30 DBEDRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492865 832442219 /nfs/dbraw/zinc/44/22/19/832442219.db2.gz PYEODBYCIFGVHX-QWHCGFSZSA-N 2 0 309.414 -0.548 20 30 DBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615388 833859861 /nfs/dbraw/zinc/85/98/61/833859861.db2.gz CRJGMQBBJMPGKD-OAHLLOKOSA-N 2 0 323.437 -0.063 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001270506051 832541092 /nfs/dbraw/zinc/54/10/92/832541092.db2.gz AAFQTLGEIPJHAA-UONOGXRCSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001270605354 832552811 /nfs/dbraw/zinc/55/28/11/832552811.db2.gz ZCNNWPHJVSHRNH-UKRRQHHQSA-N 2 0 322.453 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271093748 832618336 /nfs/dbraw/zinc/61/83/36/832618336.db2.gz RNKDEOCWVUPPHE-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001277074508 833923933 /nfs/dbraw/zinc/92/39/33/833923933.db2.gz ITSFLKCZFYFBPP-UMVBOHGHSA-N 2 0 323.441 -0.303 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272780567 832833025 /nfs/dbraw/zinc/83/30/25/832833025.db2.gz ALDLMGGQTNDZTB-JSGCOSHPSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122960 832882332 /nfs/dbraw/zinc/88/23/32/832882332.db2.gz KMUSCJQGQFLTFQ-KGLIPLIRSA-N 2 0 320.437 -0.296 20 30 DBEDRP N#Cc1nccnc1N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160638153 832927690 /nfs/dbraw/zinc/92/76/90/832927690.db2.gz XDZYDZZCMKJKRA-NSHDSACASA-N 2 0 303.370 -0.937 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867971 832955039 /nfs/dbraw/zinc/95/50/39/832955039.db2.gz JCNIBEPRDAZFPW-ZIAGYGMSSA-N 2 0 321.425 -0.261 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001273771942 832962495 /nfs/dbraw/zinc/96/24/95/832962495.db2.gz NYKZBOKAWCIINU-CQSZACIVSA-N 2 0 323.441 -0.061 20 30 DBEDRP C[C@H](C#N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161144149 832983853 /nfs/dbraw/zinc/98/38/53/832983853.db2.gz IVUSLWLIXWPYRE-AGIUHOORSA-N 2 0 309.414 -0.196 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902302 833528135 /nfs/dbraw/zinc/52/81/35/833528135.db2.gz KEOSYPGTPNITDA-ZFWWWQNUSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179336868 833543608 /nfs/dbraw/zinc/54/36/08/833543608.db2.gz DPPNENFMQTZNAM-KKUMJFAQSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435306 833546116 /nfs/dbraw/zinc/54/61/16/833546116.db2.gz PRFIBZCRTZSQJE-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929168 833563946 /nfs/dbraw/zinc/56/39/46/833563946.db2.gz FXVHWLWJGFTFJS-KBPBESRZSA-N 2 0 320.437 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929830 833564027 /nfs/dbraw/zinc/56/40/27/833564027.db2.gz XBLUHCSSKLLLAK-KBPBESRZSA-N 2 0 318.421 -0.589 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124714 833570616 /nfs/dbraw/zinc/57/06/16/833570616.db2.gz OPFYGLGPZYVWCG-MJBXVCDLSA-N 2 0 306.410 -0.734 20 30 DBEDRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001182677009 833686685 /nfs/dbraw/zinc/68/66/85/833686685.db2.gz VNGQUUJTOAGMRK-JHJVBQTASA-N 2 0 307.398 -0.843 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001182693517 833687108 /nfs/dbraw/zinc/68/71/08/833687108.db2.gz VNCYNZRRULSKKR-HZSPNIEDSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nccn2C)C1 ZINC001184492473 833761033 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C#CC[N@H+](C)CCCNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001527878910 1014304567 /nfs/dbraw/zinc/30/45/67/1014304567.db2.gz UNVSJLUBBAFWKM-UHFFFAOYSA-N 2 0 324.425 -0.311 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414437 978362847 /nfs/dbraw/zinc/36/28/47/978362847.db2.gz POBJEQIRRBNZRE-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001210674268 978524458 /nfs/dbraw/zinc/52/44/58/978524458.db2.gz QKWYEYCEKFMHIH-KGLIPLIRSA-N 2 0 321.425 -0.451 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863526 978695556 /nfs/dbraw/zinc/69/55/56/978695556.db2.gz NADYAHSLKGHKQQ-ARFHVFGLSA-N 2 0 323.437 -0.207 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214343830 978726294 /nfs/dbraw/zinc/72/62/94/978726294.db2.gz HOLFCEGOBZJRTG-MCIONIFRSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214968969 978757455 /nfs/dbraw/zinc/75/74/55/978757455.db2.gz GGPTZLAFQWTVKA-RBSFLKMASA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216001986 978781214 /nfs/dbraw/zinc/78/12/14/978781214.db2.gz NEZYXSZBZZZVLV-QLFBSQMISA-N 2 0 322.453 -0.097 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216754530 978793700 /nfs/dbraw/zinc/79/37/00/978793700.db2.gz ZNYBZHSAFJUFPW-FRRDWIJNSA-N 2 0 307.398 -0.986 20 30 DBEDRP N#Cc1c(NC(=O)/C=C/C(=O)NCC[NH3+])sc2c1CC[NH2+]C2 ZINC001218552743 978831565 /nfs/dbraw/zinc/83/15/65/978831565.db2.gz JVVWYTUSQVCNAJ-OWOJBTEDSA-N 2 0 319.390 -0.165 20 30 DBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cncc(C[NH3+])c2)C1 ZINC001218705494 978847265 /nfs/dbraw/zinc/84/72/65/978847265.db2.gz RCKLHPBMKJSNAL-MNOVXSKESA-N 2 0 314.367 -0.815 20 30 DBEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219836806 979027603 /nfs/dbraw/zinc/02/76/03/979027603.db2.gz FIHYTZWFEVJGKZ-KBMXLJTQSA-N 2 0 309.410 -0.194 20 30 DBEDRP C#CC[C@]1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCC[NH2+]1 ZINC001219839133 979029335 /nfs/dbraw/zinc/02/93/35/979029335.db2.gz XRKBSFVNRPMCEN-USXIJHARSA-N 2 0 321.421 -0.357 20 30 DBEDRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220345370 979177204 /nfs/dbraw/zinc/17/72/04/979177204.db2.gz HRMVOYADRRHUEA-CITMHJQUSA-N 2 0 308.304 -0.502 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001488794503 1014568056 /nfs/dbraw/zinc/56/80/56/1014568056.db2.gz SBVRXTQGRQEZRW-BETUJISGSA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346527 979568864 /nfs/dbraw/zinc/56/88/64/979568864.db2.gz LKQGEAMHZPFKOV-AWEZNQCLSA-N 2 0 322.453 -0.096 20 30 DBEDRP COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001326075109 979728997 /nfs/dbraw/zinc/72/89/97/979728997.db2.gz XNJYZZZWIPNJPS-HNNXBMFYSA-N 2 0 311.426 -0.469 20 30 DBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001330869753 979842565 /nfs/dbraw/zinc/84/25/65/979842565.db2.gz GZAHJOGYAJTSHD-NPCAHTBFSA-N 2 0 305.426 -0.463 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488878502 1014625368 /nfs/dbraw/zinc/62/53/68/1014625368.db2.gz LUDDJJCGDLHNHL-MGPQQGTHSA-N 2 0 306.410 -0.828 20 30 DBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001345488783 980060142 /nfs/dbraw/zinc/06/01/42/980060142.db2.gz VQADSKYRMATKNZ-AWEZNQCLSA-N 2 0 323.441 -0.300 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001346373490 980135525 /nfs/dbraw/zinc/13/55/25/980135525.db2.gz GHIPIXQZNRNAAV-CABCVRRESA-N 2 0 309.458 -0.125 20 30 DBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCc2[nH]cnc2[C@]12CC[NH2+]C2 ZINC001354902272 980877500 /nfs/dbraw/zinc/87/75/00/980877500.db2.gz CBCGAXHZRYWKPT-QGZVFWFLSA-N 2 0 313.405 -0.014 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001355664608 980904210 /nfs/dbraw/zinc/90/42/10/980904210.db2.gz FUJSNPIZESXRAQ-UHFFFAOYSA-N 2 0 322.453 -0.142 20 30 DBEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001490196302 1014889394 /nfs/dbraw/zinc/88/93/94/1014889394.db2.gz NEGPURPCRKUELU-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001490857292 1015132638 /nfs/dbraw/zinc/13/26/38/1015132638.db2.gz FNSVYDJLQZEBCG-CVEARBPZSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491046902 1015205969 /nfs/dbraw/zinc/20/59/69/1015205969.db2.gz CDCOBHHAEOJRFX-MCIONIFRSA-N 2 0 320.437 -0.297 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640177 1015536972 /nfs/dbraw/zinc/53/69/72/1015536972.db2.gz JEBOSJLSGPTIPH-STQMWFEESA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C)CC1 ZINC001491681385 1015566480 /nfs/dbraw/zinc/56/64/80/1015566480.db2.gz DVMKRVHAZAPBBK-AWEZNQCLSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491725009 1015593848 /nfs/dbraw/zinc/59/38/48/1015593848.db2.gz MGUYEGCLTTXWLA-KBPBESRZSA-N 2 0 321.425 -0.311 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491810992 1015635690 /nfs/dbraw/zinc/63/56/90/1015635690.db2.gz QFROOBNJIBRIBU-HOCLYGCPSA-N 2 0 322.453 -0.240 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001494169624 1016182834 /nfs/dbraw/zinc/18/28/34/1016182834.db2.gz LYCXHKWVLHUJBV-AWEZNQCLSA-N 2 0 323.441 -0.252 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1cn(C)nn1 ZINC001496080753 1016834597 /nfs/dbraw/zinc/83/45/97/1016834597.db2.gz RJBJZMOWAWPOSI-HIFRSBDPSA-N 2 0 318.425 -0.151 20 30 DBEDRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001496365303 1016897292 /nfs/dbraw/zinc/89/72/92/1016897292.db2.gz YOMFBXJJOXQRPV-STQMWFEESA-N 2 0 309.414 -0.596 20 30 DBEDRP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573756 1016956399 /nfs/dbraw/zinc/95/63/99/1016956399.db2.gz HQEXIUKJSDLXBC-KBPBESRZSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001479605486 1010311295 /nfs/dbraw/zinc/31/12/95/1010311295.db2.gz ZTICHOWMGAXMPM-GFCCVEGCSA-N 2 0 305.382 -0.139 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001480083638 1010528284 /nfs/dbraw/zinc/52/82/84/1010528284.db2.gz GKWFPMFHMHNRQJ-AWEZNQCLSA-N 2 0 323.441 -0.252 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480139368 1010551690 /nfs/dbraw/zinc/55/16/90/1010551690.db2.gz SPTPDLFPWWRXJQ-MGPQQGTHSA-N 2 0 321.425 -0.264 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001480205947 1010574403 /nfs/dbraw/zinc/57/44/03/1010574403.db2.gz SVPBBWIHWHUABN-YIYPIFLZSA-N 2 0 308.426 -0.134 20 30 DBEDRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480223815 1010581765 /nfs/dbraw/zinc/58/17/65/1010581765.db2.gz JNWJLZCATUGXPP-UPJWGTAASA-N 2 0 307.398 -0.795 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001480267352 1010600616 /nfs/dbraw/zinc/60/06/16/1010600616.db2.gz LKYWVPNGZIKBRF-HNNXBMFYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001480360145 1010618023 /nfs/dbraw/zinc/61/80/23/1010618023.db2.gz URJDITJMQAZSOJ-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001480410904 1010628803 /nfs/dbraw/zinc/62/88/03/1010628803.db2.gz BJGRELZWEQFMNL-HSBZDZAISA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NCC#N ZINC001480494919 1010668478 /nfs/dbraw/zinc/66/84/78/1010668478.db2.gz LFVCOOIMQXELSB-LBPRGKRZSA-N 2 0 307.398 -0.651 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480595843 1010708122 /nfs/dbraw/zinc/70/81/22/1010708122.db2.gz DWFCDUBZFUNDEL-GDBMZVCRSA-N 2 0 322.453 -0.050 20 30 DBEDRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001481358098 1010893855 /nfs/dbraw/zinc/89/38/55/1010893855.db2.gz MIRGRPSDZHSMCA-CQSZACIVSA-N 2 0 323.441 -0.205 20 30 DBEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001482065177 1011044121 /nfs/dbraw/zinc/04/41/21/1011044121.db2.gz NMBQRQHPLKAUNK-OLZOCXBDSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482331226 1011120967 /nfs/dbraw/zinc/12/09/67/1011120967.db2.gz OTGYVVSIKKCSKU-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001497205396 1017310765 /nfs/dbraw/zinc/31/07/65/1017310765.db2.gz IQHLFGBFEUPNEJ-CYBMUJFWSA-N 2 0 308.426 -0.296 20 30 DBEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482773918 1011429836 /nfs/dbraw/zinc/42/98/36/1011429836.db2.gz GRSRYVVLNTWWRS-HNNXBMFYSA-N 2 0 311.426 -0.565 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482962797 1011564497 /nfs/dbraw/zinc/56/44/97/1011564497.db2.gz BHNTWIMCIJYZAM-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482990856 1011576629 /nfs/dbraw/zinc/57/66/29/1011576629.db2.gz IQNLTMKUQZOLEZ-BUHQSOCUSA-N 2 0 306.410 -0.520 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483144919 1011735194 /nfs/dbraw/zinc/73/51/94/1011735194.db2.gz GKKWPIWBZNGKMS-ZIAGYGMSSA-N 2 0 320.437 -0.153 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001483548635 1011898956 /nfs/dbraw/zinc/89/89/56/1011898956.db2.gz BVPGVIMOIHYJPO-ZIAGYGMSSA-N 2 0 308.426 -0.133 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483784317 1012137899 /nfs/dbraw/zinc/13/78/99/1012137899.db2.gz RSJGRGQRTRYGKR-ZDUSSCGKSA-N 2 0 308.426 -0.131 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483784316 1012139669 /nfs/dbraw/zinc/13/96/69/1012139669.db2.gz RSJGRGQRTRYGKR-CYBMUJFWSA-N 2 0 308.426 -0.131 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001483916341 1012205595 /nfs/dbraw/zinc/20/55/95/1012205595.db2.gz ODNANSWQBYLSPX-KGLIPLIRSA-N 2 0 323.441 -0.063 20 30 DBEDRP C=CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484250180 1012460376 /nfs/dbraw/zinc/46/03/76/1012460376.db2.gz CTZCMMWKNTVSFB-ZBFHGGJFSA-N 2 0 311.426 -0.306 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484534791 1012762786 /nfs/dbraw/zinc/76/27/86/1012762786.db2.gz AAVOKHLJCMLVRP-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736102 1012843760 /nfs/dbraw/zinc/84/37/60/1012843760.db2.gz GTJGIJMWDRWHKH-CABCVRRESA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001485110128 1013002348 /nfs/dbraw/zinc/00/23/48/1013002348.db2.gz VVGRRYQECQFPLK-WLYUNCDWSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001497261602 1017328758 /nfs/dbraw/zinc/32/87/58/1017328758.db2.gz DYIXALSIMBFGAD-ZDUSSCGKSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001497501236 1017397941 /nfs/dbraw/zinc/39/79/41/1017397941.db2.gz PYQUCPJOKNGHNZ-ZDUSSCGKSA-N 2 0 308.426 -0.357 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586532 1017432352 /nfs/dbraw/zinc/43/23/52/1017432352.db2.gz WMNVZZPMIHMANY-XQIWKARSSA-N 2 0 320.437 -0.274 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001497622505 1017446362 /nfs/dbraw/zinc/44/63/62/1017446362.db2.gz BCUXUVOJBAASRX-ONEGZZNKSA-N 2 0 318.421 -0.374 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001498819477 1017870691 /nfs/dbraw/zinc/87/06/91/1017870691.db2.gz 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20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567154300 1024553716 /nfs/dbraw/zinc/55/37/16/1024553716.db2.gz DEQBQBWSEPMVJO-AWEZNQCLSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153115 1024555158 /nfs/dbraw/zinc/55/51/58/1024555158.db2.gz HVILRXXYMIPBPZ-OLZOCXBDSA-N 2 0 307.398 -0.984 20 30 DBEDRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NCC#N ZINC001567235456 1024581433 /nfs/dbraw/zinc/58/14/33/1024581433.db2.gz JSUKIVGDQMBAMJ-GFCCVEGCSA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001567511802 1024753679 /nfs/dbraw/zinc/75/36/79/1024753679.db2.gz IRPXYCSMLWAFDZ-KGLIPLIRSA-N 2 0 310.442 -0.242 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567741667 1024817480 /nfs/dbraw/zinc/81/74/80/1024817480.db2.gz HUJFXXKLTAPLMS-GJZGRUSLSA-N 2 0 322.453 -0.144 20 30 DBEDRP 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LNESIDFCUFXPLI-KBPBESRZSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC[NH+](C)C ZINC001569523659 1025269575 /nfs/dbraw/zinc/26/95/75/1025269575.db2.gz UTZBACQTGPWBTD-QWHCGFSZSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569683672 1025305262 /nfs/dbraw/zinc/30/52/62/1025305262.db2.gz OFCSHDGXNKNSRK-YOEHRIQHSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001569764897 1025345744 /nfs/dbraw/zinc/34/57/44/1025345744.db2.gz FXPJPPCCNHDMIO-GDBMZVCRSA-N 2 0 309.410 -0.859 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001569824914 1025371506 /nfs/dbraw/zinc/37/15/06/1025371506.db2.gz BZPZUDOMQPJAEJ-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001570294278 1025565889 /nfs/dbraw/zinc/56/58/89/1025565889.db2.gz RFIBTHNFDNJTMC-RDJZCZTQSA-N 2 0 323.437 -0.469 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC001571333714 1025892993 /nfs/dbraw/zinc/89/29/93/1025892993.db2.gz ZPODSCTXRONHSM-UHFFFAOYSA-N 2 0 309.414 -0.499 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571664787 1026138345 /nfs/dbraw/zinc/13/83/45/1026138345.db2.gz WFPPIQWLJMHJKJ-NFOMZHRRSA-N 2 0 320.437 -0.343 20 30 DBEDRP CNC(=O)CCC[NH+](C)CC#CC[N@@H+](C)CCCC(=O)NC ZINC000283925890 335008667 /nfs/dbraw/zinc/00/86/67/335008667.db2.gz CKDGLPKXHPZUDM-UHFFFAOYSA-N 2 0 310.442 -0.094 20 30 DBEDRP C[C@@]1(C(N)=O)CC[NH+](CC#CC[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000284908496 335015286 /nfs/dbraw/zinc/01/52/86/335015286.db2.gz VEXCMCUMWNGGNL-HZPDHXFCSA-N 2 0 306.410 -0.616 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1cnn(C)c1 ZINC000088799168 375166802 /nfs/dbraw/zinc/16/68/02/375166802.db2.gz FUIZSSAANRKKPA-CQSZACIVSA-N 2 0 307.446 -0.327 20 30 DBEDRP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000591736936 375743943 /nfs/dbraw/zinc/74/39/43/375743943.db2.gz PBEXYXLQIXUHND-RDJZCZTQSA-N 2 0 323.485 -0.049 20 30 DBEDRP C[NH+](CC#CC[N@@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000341923246 392987995 /nfs/dbraw/zinc/98/79/95/392987995.db2.gz PCQWZDZDBHVTQP-HZPDHXFCSA-N 2 0 312.410 -0.844 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419726102 393590579 /nfs/dbraw/zinc/59/05/79/393590579.db2.gz JNCPFVDQJMWGPZ-CYBMUJFWSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000420282587 393591893 /nfs/dbraw/zinc/59/18/93/393591893.db2.gz BRMNYCTUUXHJCC-HUUCEWRRSA-N 2 0 320.437 -0.083 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652690513 411683176 /nfs/dbraw/zinc/68/31/76/411683176.db2.gz JFXWUEJLXHANOE-UHFFFAOYSA-N 2 0 308.426 -0.002 20 30 DBEDRP NC(=O)C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000676923109 544882005 /nfs/dbraw/zinc/88/20/05/544882005.db2.gz BQJSQAPYGJQJMK-KBPBESRZSA-N 2 0 306.410 -0.616 20 30 DBEDRP CC[C@H](C(=O)NCC#CCNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000681340332 544970893 /nfs/dbraw/zinc/97/08/93/544970893.db2.gz GKBVULDYJJYEIN-OKILXGFUSA-N 2 0 310.442 -0.097 20 30 DBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261913850 273481875 /nfs/dbraw/zinc/48/18/75/273481875.db2.gz HVKONJDFIJOJRY-INIZCTEOSA-N 3 0 320.485 -0.222 20 30 DBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCN(C2CC2)C1 ZINC000261945716 278167884 /nfs/dbraw/zinc/16/78/84/278167884.db2.gz LBKKXZUYHDOQNM-GOEBONIOSA-N 2 0 320.485 -0.222 20 30 DBEDRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329671574 336036827 /nfs/dbraw/zinc/03/68/27/336036827.db2.gz NGKJXYVQTINDOP-KBPBESRZSA-N 2 0 313.446 -0.544 20 30 DBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000424164540 337788680 /nfs/dbraw/zinc/78/86/80/337788680.db2.gz ZOXQDRWHEUHWIS-AWEZNQCLSA-N 2 0 321.425 -0.226 20 30 DBEDRP C[NH+]=C(NC[C@@H](O)c1ccc(C)o1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261967253 526368549 /nfs/dbraw/zinc/36/85/49/526368549.db2.gz MZJDAVQNWNZSPS-ZIAGYGMSSA-N 2 0 321.425 -0.214 20 30 DBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc(C(=O)OC)nn1 ZINC000284040606 529073460 /nfs/dbraw/zinc/07/34/60/529073460.db2.gz ORZDFCFUFSHXBK-LLVKDONJSA-N 2 0 323.401 -0.547 20 30 DBEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553219 665543081 /nfs/dbraw/zinc/54/30/81/665543081.db2.gz GVTDWMXLFOAFDV-UEIJKTBSSA-N 2 0 315.417 -0.223 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C2)CC1 ZINC000980479418 665766953 /nfs/dbraw/zinc/76/69/53/665766953.db2.gz VVWIFEWUNOPCGH-UKRRQHHQSA-N 2 0 320.437 -0.262 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C2)CC1 ZINC000980479417 665767150 /nfs/dbraw/zinc/76/71/50/665767150.db2.gz VVWIFEWUNOPCGH-HIFRSBDPSA-N 2 0 320.437 -0.262 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C2)CC1 ZINC000970792599 664051715 /nfs/dbraw/zinc/05/17/15/664051715.db2.gz PJLBTAQOWCDTOY-CABCVRRESA-N 2 0 320.437 -0.214 20 30 DBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911235309 674695772 /nfs/dbraw/zinc/69/57/72/674695772.db2.gz BTSCUQSYXKVIOB-TZMCWYRMSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCO[C@H](COC)C1 ZINC000261755708 670842811 /nfs/dbraw/zinc/84/28/11/670842811.db2.gz CNSJDZYDRMDCQC-KGLIPLIRSA-N 2 0 313.446 -0.845 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261960977 671154372 /nfs/dbraw/zinc/15/43/72/671154372.db2.gz KDLHYHATUFVULJ-FVQBIDKESA-N 3 0 322.501 -0.120 20 30 DBEDRP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NCC1CC[NH+](C)CC1 ZINC000262406775 671448430 /nfs/dbraw/zinc/44/84/30/671448430.db2.gz OVULCQXQTKXHLV-AWEZNQCLSA-N 2 0 308.430 -0.040 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)CC1 ZINC001029597173 671470137 /nfs/dbraw/zinc/47/01/37/671470137.db2.gz KWGMVOQYBVGGPV-IYBDPMFKSA-N 2 0 305.422 -0.001 20 30 DBEDRP C[NH+]=C(NCCN1CCC1)N1CCN(c2ncccn2)CC1 ZINC000261759260 671865268 /nfs/dbraw/zinc/86/52/68/671865268.db2.gz QXAMLZBSKJARBV-UHFFFAOYSA-N 2 0 303.414 -0.120 20 30 DBEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031857075 677637749 /nfs/dbraw/zinc/63/77/49/677637749.db2.gz PYKNRHUZQZXRIT-GNHJJJEISA-N 2 0 303.406 -0.079 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001000994690 678891192 /nfs/dbraw/zinc/89/11/92/678891192.db2.gz WKPHDMHJZUVVDB-CQSZACIVSA-N 2 0 306.410 -0.603 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCOCCO)CC1 ZINC000922121173 679017252 /nfs/dbraw/zinc/01/72/52/679017252.db2.gz OUNBSKTYODQLRD-UHFFFAOYSA-N 2 0 311.426 -0.612 20 30 DBEDRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)ccn2)CC1 ZINC000844194484 805653229 /nfs/dbraw/zinc/65/32/29/805653229.db2.gz ITOQBSFZDGGYIO-KBPBESRZSA-N 2 0 314.393 -0.325 20 30 DBEDRP C#CC[N@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851661361 805923362 /nfs/dbraw/zinc/92/33/62/805923362.db2.gz IKNVCVNPTHQCAL-UHFFFAOYSA-N 2 0 306.370 -0.605 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316619576 805969617 /nfs/dbraw/zinc/96/96/17/805969617.db2.gz JGIRHTVGQFKGSE-APIJFGDWSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001316622698 805970869 /nfs/dbraw/zinc/97/08/69/805970869.db2.gz CLLQFJVLSUHUBJ-KFWWJZLASA-N 2 0 320.437 -0.296 20 30 DBEDRP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NCC#N ZINC001316832876 806001653 /nfs/dbraw/zinc/00/16/53/806001653.db2.gz IDYSNEJYYFCCDR-UHFFFAOYSA-N 2 0 321.425 -0.307 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001317023636 806071941 /nfs/dbraw/zinc/07/19/41/806071941.db2.gz RGXZEIAOCFHVHR-HNNXBMFYSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001317030703 806072904 /nfs/dbraw/zinc/07/29/04/806072904.db2.gz WLUQOXHZCJCBCI-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317092436 806087333 /nfs/dbraw/zinc/08/73/33/806087333.db2.gz IBGMBXXWJYJJJN-AAVRWANBSA-N 2 0 308.426 -0.134 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317092438 806087613 /nfs/dbraw/zinc/08/76/13/806087613.db2.gz IBGMBXXWJYJJJN-XJFOESAGSA-N 2 0 308.426 -0.134 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317115103 806090574 /nfs/dbraw/zinc/09/05/74/806090574.db2.gz JPCREYKSJBZNMV-HZSPNIEDSA-N 2 0 306.410 -0.543 20 30 DBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317293144 806125194 /nfs/dbraw/zinc/12/51/94/806125194.db2.gz YSDWHMASBFCDAX-GJZGRUSLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001317337019 806135488 /nfs/dbraw/zinc/13/54/88/806135488.db2.gz APMCBWWAWYSFKH-AWEZNQCLSA-N 2 0 308.426 -0.484 20 30 DBEDRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317392707 806143297 /nfs/dbraw/zinc/14/32/97/806143297.db2.gz FFYFIVLZCINAQO-UONOGXRCSA-N 2 0 323.441 -0.017 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001317653852 806218022 /nfs/dbraw/zinc/21/80/22/806218022.db2.gz IMIHKMWCQCZDQQ-AWEZNQCLSA-N 2 0 320.437 -0.083 20 30 DBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001317679581 806225067 /nfs/dbraw/zinc/22/50/67/806225067.db2.gz XHBBARUWTDARNN-CYBMUJFWSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)[C@H](C)N1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422780 806296915 /nfs/dbraw/zinc/29/69/15/806296915.db2.gz BIWUSHMVTNPSKO-GJZGRUSLSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001318540871 806310765 /nfs/dbraw/zinc/31/07/65/806310765.db2.gz IANOXVVWCPAAJQ-AWEZNQCLSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001318561232 806311906 /nfs/dbraw/zinc/31/19/06/806311906.db2.gz HBNYPHBJABBMCR-SOUVJXGZSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319189131 806351696 /nfs/dbraw/zinc/35/16/96/806351696.db2.gz MBKZZROOHSNJFY-UKRRQHHQSA-N 2 0 322.453 -0.028 20 30 DBEDRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CC(=O)NCC#N ZINC001319249463 806357081 /nfs/dbraw/zinc/35/70/81/806357081.db2.gz GCNBUXAIZKPWMF-ZDUSSCGKSA-N 2 0 323.441 -0.300 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001319473911 806382948 /nfs/dbraw/zinc/38/29/48/806382948.db2.gz WCOLSKXBHZEWMW-GFCCVEGCSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320415795 806487787 /nfs/dbraw/zinc/48/77/87/806487787.db2.gz SCBZJTPJPGAUQC-DZGCQCFKSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001320606393 806508645 /nfs/dbraw/zinc/50/86/45/806508645.db2.gz GCPPKSAGXOLSHT-LBPRGKRZSA-N 2 0 307.398 -0.794 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001320640632 806512299 /nfs/dbraw/zinc/51/22/99/806512299.db2.gz SILGVMWPJDOPDG-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)C1=O ZINC001321746287 806666075 /nfs/dbraw/zinc/66/60/75/806666075.db2.gz JOSGDOFRQWMPIX-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321755265 806667060 /nfs/dbraw/zinc/66/70/60/806667060.db2.gz BFBNLTCGEZPNEV-OLZOCXBDSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321756834 806667222 /nfs/dbraw/zinc/66/72/22/806667222.db2.gz RDAMDLWYHALVOF-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001321950191 806692045 /nfs/dbraw/zinc/69/20/45/806692045.db2.gz UPNUBQLSFWOPSI-MELADBBJSA-N 2 0 308.426 -0.038 20 30 DBEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876809170 806807325 /nfs/dbraw/zinc/80/73/25/806807325.db2.gz WVMXGCDKJGOVRP-HIFRSBDPSA-N 2 0 300.362 -0.069 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001324097175 806943806 /nfs/dbraw/zinc/94/38/06/806943806.db2.gz HZQWOWZBRPTIRD-UONOGXRCSA-N 2 0 323.441 -0.065 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001324212156 806952501 /nfs/dbraw/zinc/95/25/01/806952501.db2.gz CTMYYQHAIUKWHD-GJZGRUSLSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278418207 803789259 /nfs/dbraw/zinc/78/92/59/803789259.db2.gz ZFYIKAGBGJZCPO-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278568243 803800298 /nfs/dbraw/zinc/80/02/98/803800298.db2.gz VAWRWPPPNTVJLB-INIZCTEOSA-N 2 0 323.441 -0.204 20 30 DBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000104172539 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DBEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100673870 826999415 /nfs/dbraw/zinc/99/94/15/826999415.db2.gz CNDFZHIBUCDUAG-IYXRBSQSSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100675854 826999674 /nfs/dbraw/zinc/99/96/74/826999674.db2.gz AOLGHKXODVYTMI-WLYUNCDWSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678724 827000199 /nfs/dbraw/zinc/00/01/99/827000199.db2.gz VFXKYXLRADPPFX-WLYUNCDWSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678723 827001045 /nfs/dbraw/zinc/00/10/45/827001045.db2.gz VFXKYXLRADPPFX-NFOMZHRRSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683444 827002161 /nfs/dbraw/zinc/00/21/61/827002161.db2.gz BLNRACLELIHDMB-RUXDESIVSA-N 2 0 308.426 -0.440 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100982238 827058845 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320.437 -0.628 20 30 DBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396719 827285533 /nfs/dbraw/zinc/28/55/33/827285533.db2.gz GHLMDHCUBPZASL-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164449024 833210770 /nfs/dbraw/zinc/21/07/70/833210770.db2.gz AUOUMFKAGNESFF-HNNXBMFYSA-N 2 0 322.453 -0.046 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941628 827565649 /nfs/dbraw/zinc/56/56/49/827565649.db2.gz FMOUKVSZXSIYAU-KFWWJZLASA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981088 827689570 /nfs/dbraw/zinc/68/95/70/827689570.db2.gz GBPQGHOXYVSIFC-RBSFLKMASA-N 2 0 320.437 -0.628 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106983751 827690670 /nfs/dbraw/zinc/69/06/70/827690670.db2.gz IEXSNKAFAAOCFM-HUUCEWRRSA-N 2 0 320.437 -0.484 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626877 833276617 /nfs/dbraw/zinc/27/66/17/833276617.db2.gz LIZCLIXSORBKEW-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001166890728 833284198 /nfs/dbraw/zinc/28/41/98/833284198.db2.gz QQICNSXSDIBPNT-UHFFFAOYSA-N 2 0 323.441 -0.156 20 30 DBEDRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001166971165 833288305 /nfs/dbraw/zinc/28/83/05/833288305.db2.gz JVAQXSYNMINEET-UHFFFAOYSA-N 2 0 309.414 -0.546 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166985487 833288879 /nfs/dbraw/zinc/28/88/79/833288879.db2.gz AAIBDHDLKPELBR-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167666755 833306150 /nfs/dbraw/zinc/30/61/50/833306150.db2.gz BCNKIFNPYHKLHC-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168023043 833315546 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C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171731750 833373888 /nfs/dbraw/zinc/37/38/88/833373888.db2.gz OGKNDFGNBRBAHT-CQSZACIVSA-N 2 0 310.442 -0.048 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001176057058 833399560 /nfs/dbraw/zinc/39/95/60/833399560.db2.gz MLZDNGBJGBTTPI-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318112 833403800 /nfs/dbraw/zinc/40/38/00/833403800.db2.gz KGNDRXPDGCLCBE-UHFFFAOYSA-N 2 0 323.441 -0.012 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563949 833408892 /nfs/dbraw/zinc/40/88/92/833408892.db2.gz IMIPBZWQQUQPCZ-CABCVRRESA-N 2 0 322.453 -0.048 20 30 DBEDRP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563945 833409168 /nfs/dbraw/zinc/40/91/68/833409168.db2.gz IJOVFDRBBSTLLT-UONOGXRCSA-N 2 0 323.441 -0.158 20 30 DBEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176844652 833424253 /nfs/dbraw/zinc/42/42/53/833424253.db2.gz NEWOJFRFNJMRCY-BETUJISGSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC(C)C)CC1 ZINC001176926967 833437698 /nfs/dbraw/zinc/43/76/98/833437698.db2.gz ZSOHOZKKCUYUMX-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997599 833445807 /nfs/dbraw/zinc/44/58/07/833445807.db2.gz SXLPBHMOJSIJRB-INIZCTEOSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706154 830025063 /nfs/dbraw/zinc/02/50/63/830025063.db2.gz IXCVERPFCDBHOU-HZSPNIEDSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128543457 830096077 /nfs/dbraw/zinc/09/60/77/830096077.db2.gz DFGZJOJJZLMNSI-CHWSQXEVSA-N 2 0 314.405 -0.490 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128787307 830130054 /nfs/dbraw/zinc/13/00/54/830130054.db2.gz ZFBQHJZVPSESDC-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCN1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129043088 830150223 /nfs/dbraw/zinc/15/02/23/830150223.db2.gz GPCJBQKLAMQXSE-ILXRZTDVSA-N 2 0 316.409 -0.407 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328399 830172616 /nfs/dbraw/zinc/17/26/16/830172616.db2.gz PDIGAKAPTYFOJY-LSDHHAIUSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130007223 830245157 /nfs/dbraw/zinc/24/51/57/830245157.db2.gz FGCDWXKGCZWTRK-ILXRZTDVSA-N 2 0 318.425 -0.017 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123345 830268302 /nfs/dbraw/zinc/26/83/02/830268302.db2.gz OECSNKZLOKLBKH-ZNMIVQPWSA-N 2 0 316.409 -0.405 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1=O ZINC001130300152 830294134 /nfs/dbraw/zinc/29/41/34/830294134.db2.gz JLJJHTVYMNJDCK-KGLIPLIRSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130708665 830367788 /nfs/dbraw/zinc/36/77/88/830367788.db2.gz CVQHXAYEENJYPY-GJZGRUSLSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710815 830368952 /nfs/dbraw/zinc/36/89/52/830368952.db2.gz FXKCJYOMIBFIEZ-AWEZNQCLSA-N 2 0 308.426 -0.438 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993079 830727199 /nfs/dbraw/zinc/72/71/99/830727199.db2.gz MSBJOGAEUIYFIT-UHFFFAOYSA-N 2 0 323.441 -0.204 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090197 830740655 /nfs/dbraw/zinc/74/06/55/830740655.db2.gz DHVOFQJEJAGQMB-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001133845467 830837204 /nfs/dbraw/zinc/83/72/04/830837204.db2.gz GNOKGJFKYBFBKT-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133866942 830842959 /nfs/dbraw/zinc/84/29/59/830842959.db2.gz QAMIFAVVLNBKID-KBPBESRZSA-N 2 0 323.441 -0.348 20 30 DBEDRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N)[NH+](C)C ZINC001133982959 830869898 /nfs/dbraw/zinc/86/98/98/830869898.db2.gz QHMUZMLGGSQLKK-ZDUSSCGKSA-N 2 0 311.430 -0.205 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NCC#N ZINC001134583465 830952314 /nfs/dbraw/zinc/95/23/14/830952314.db2.gz KTQSGQGTCXKPKO-OLZOCXBDSA-N 2 0 323.441 -0.017 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001134607988 830955096 /nfs/dbraw/zinc/95/50/96/830955096.db2.gz OYJUNFAUAVPDMF-OLZOCXBDSA-N 2 0 323.441 -0.017 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607990 830955752 /nfs/dbraw/zinc/95/57/52/830955752.db2.gz OYJUNFAUAVPDMF-STQMWFEESA-N 2 0 323.441 -0.017 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093140 831009865 /nfs/dbraw/zinc/00/98/65/831009865.db2.gz ITYIUGGQCGIYBG-CHWSQXEVSA-N 2 0 307.398 -0.651 20 30 DBEDRP C=CCOCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117939 831012562 /nfs/dbraw/zinc/01/25/62/831012562.db2.gz CVINMAWFOBFHMH-UHFFFAOYSA-N 2 0 309.414 -0.033 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135317351 831049623 /nfs/dbraw/zinc/04/96/23/831049623.db2.gz YBQRDCDSWMIQOQ-KBPBESRZSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240490 833711581 /nfs/dbraw/zinc/71/15/81/833711581.db2.gz HXJOOOUXKVBQPQ-UONOGXRCSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647443 833725473 /nfs/dbraw/zinc/72/54/73/833725473.db2.gz HWBHFMUTPRPMGN-ZIAGYGMSSA-N 2 0 306.410 -0.589 20 30 DBEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135975807 831144261 /nfs/dbraw/zinc/14/42/61/831144261.db2.gz COQDAEXVUTUQLR-OLZOCXBDSA-N 2 0 311.430 -0.159 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185214156 833783336 /nfs/dbraw/zinc/78/33/36/833783336.db2.gz ORGYCACVIQUXOM-UONOGXRCSA-N 2 0 320.437 -0.343 20 30 DBEDRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147358265 831364484 /nfs/dbraw/zinc/36/44/84/831364484.db2.gz DYHSUUZSABQDIT-AWEZNQCLSA-N 2 0 323.441 -0.013 20 30 DBEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590082 831631699 /nfs/dbraw/zinc/63/16/99/831631699.db2.gz YIRIHIRFYGQDBY-HNNXBMFYSA-N 2 0 311.426 -0.205 20 30 DBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065849 831662073 /nfs/dbraw/zinc/66/20/73/831662073.db2.gz NRIBDXUZOJPNLZ-AWEZNQCLSA-N 2 0 308.426 -0.156 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361682 831680355 /nfs/dbraw/zinc/68/03/55/831680355.db2.gz NDQYXPDEJXATPA-UHFFFAOYSA-N 2 0 309.414 -0.402 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCCOC)CC1 ZINC001152324742 831740708 /nfs/dbraw/zinc/74/07/08/831740708.db2.gz ZXERJDGBCVWZJQ-UHFFFAOYSA-N 2 0 311.426 -0.300 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001152330261 831741454 /nfs/dbraw/zinc/74/14/54/831741454.db2.gz KISDJRASKFXNEK-CYBMUJFWSA-N 2 0 308.426 -0.486 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC)CC1 ZINC001152330480 831742418 /nfs/dbraw/zinc/74/24/18/831742418.db2.gz OZZGSUDIXXYDKC-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCCC)CC1 ZINC001152330796 831742525 /nfs/dbraw/zinc/74/25/25/831742525.db2.gz VFDMGWDKQYQSTA-UHFFFAOYSA-N 2 0 308.426 -0.436 20 30 DBEDRP N#Cc1c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ncc2c1CCC[NH2+]C2 ZINC001155571177 831940098 /nfs/dbraw/zinc/94/00/98/831940098.db2.gz RXHVFSAZNWXFMG-CJNGLKHVSA-N 2 0 312.377 -0.021 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380094 832107932 /nfs/dbraw/zinc/10/79/32/832107932.db2.gz MFENCUCVYXAPKF-BFHYXJOUSA-N 2 0 308.426 -0.440 20 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ZINC001271659288 832691158 /nfs/dbraw/zinc/69/11/58/832691158.db2.gz GLNUYJJMJWQXNW-UONOGXRCSA-N 2 0 310.442 -0.076 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271657490 832691196 /nfs/dbraw/zinc/69/11/96/832691196.db2.gz ZKJXTKCCPTYWCG-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001271837469 832705498 /nfs/dbraw/zinc/70/54/98/832705498.db2.gz JBVLKRNAZHGIJL-MCIONIFRSA-N 2 0 323.441 -0.303 20 30 DBEDRP COCC#CC[NH2+]C1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001271925753 832716382 /nfs/dbraw/zinc/71/63/82/832716382.db2.gz QZIJAGVSWBLYHG-UHFFFAOYSA-N 2 0 324.469 -0.242 20 30 DBEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272413451 832783962 /nfs/dbraw/zinc/78/39/62/832783962.db2.gz DASHRRJIHFQBLU-LSDHHAIUSA-N 2 0 311.426 -0.424 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159327383 832805561 /nfs/dbraw/zinc/80/55/61/832805561.db2.gz IEUYOXZGHPYJJS-ZDUSSCGKSA-N 2 0 309.414 -0.404 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)OC)CC1 ZINC001272582879 832807379 /nfs/dbraw/zinc/80/73/79/832807379.db2.gz CIXNCGYTQAZYMR-ZFWWWQNUSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001273100102 832878116 /nfs/dbraw/zinc/87/81/16/832878116.db2.gz MLQIJXYHWICOSE-UHFFFAOYSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001273122962 832882722 /nfs/dbraw/zinc/88/27/22/832882722.db2.gz KMUSCJQGQFLTFQ-ZIAGYGMSSA-N 2 0 320.437 -0.296 20 30 DBEDRP CCN1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193968 832892043 /nfs/dbraw/zinc/89/20/43/832892043.db2.gz ZYPOBWKIXLPKAC-CABCVRRESA-N 2 0 311.426 -0.159 20 30 DBEDRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)CC1 ZINC001160458669 832908221 /nfs/dbraw/zinc/90/82/21/832908221.db2.gz ADGFRMQLOXHMLK-NEPJUHHUSA-N 2 0 319.427 -0.849 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001273588621 832941331 /nfs/dbraw/zinc/94/13/31/832941331.db2.gz RKBKMYKAMYOVNY-UHFFFAOYSA-N 2 0 308.426 -0.484 20 30 DBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791748 832943376 /nfs/dbraw/zinc/94/33/76/832943376.db2.gz AZHHOZAMFYGJFW-KAILXHQESA-N 2 0 319.405 -0.253 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867938 832954952 /nfs/dbraw/zinc/95/49/52/832954952.db2.gz IZYXYKMZYNNOLR-HUUCEWRRSA-N 2 0 320.437 -0.151 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001273771941 832962624 /nfs/dbraw/zinc/96/26/24/832962624.db2.gz NYKZBOKAWCIINU-AWEZNQCLSA-N 2 0 323.441 -0.061 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)Cn1ccnc1 ZINC001177401580 833466561 /nfs/dbraw/zinc/46/65/61/833466561.db2.gz WCCIBDNDCBJYQU-UHFFFAOYSA-N 2 0 320.397 -0.259 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179471875 833548129 /nfs/dbraw/zinc/54/81/29/833548129.db2.gz DTYVFYKTTHUGST-ZFWWWQNUSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180132231 833570514 /nfs/dbraw/zinc/57/05/14/833570514.db2.gz ZAYVBTTVLPRFDN-ILXRZTDVSA-N 2 0 320.437 -0.201 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180259484 833576578 /nfs/dbraw/zinc/57/65/78/833576578.db2.gz IOJMKXOGWOARQQ-HNNXBMFYSA-N 2 0 322.453 -0.046 20 30 DBEDRP C=C(C[NH+]1CCCC1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001183086549 833706410 /nfs/dbraw/zinc/70/64/10/833706410.db2.gz XHOQAVBECRBAIH-UHFFFAOYSA-N 2 0 300.363 -0.697 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183592180 833724059 /nfs/dbraw/zinc/72/40/59/833724059.db2.gz NJMGBMUFJUUTCR-BFHYXJOUSA-N 2 0 308.426 -0.345 20 30 DBEDRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)c1cnc[nH]1 ZINC001187090577 833901613 /nfs/dbraw/zinc/90/16/13/833901613.db2.gz CLULJXZWFDYZTA-LLVKDONJSA-N 2 0 318.381 -0.482 20 30 DBEDRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187239862 833911826 /nfs/dbraw/zinc/91/18/26/833911826.db2.gz FRNIFYNGDCRKRI-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187276927 833914054 /nfs/dbraw/zinc/91/40/54/833914054.db2.gz XFDMASJRWCXDSV-CYBMUJFWSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](O)COC)CC1 ZINC001276977387 833916947 /nfs/dbraw/zinc/91/69/47/833916947.db2.gz HUVXSIIKWHLLOZ-JKSUJKDBSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](O)COC)CC1 ZINC001276977385 833917351 /nfs/dbraw/zinc/91/73/51/833917351.db2.gz HUVXSIIKWHLLOZ-HOTGVXAUSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001277040283 833922218 /nfs/dbraw/zinc/92/22/18/833922218.db2.gz RSXULYDKQBKFOQ-IIAWOOMASA-N 2 0 322.453 -0.194 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277265312 833937995 /nfs/dbraw/zinc/93/79/95/833937995.db2.gz XUENMNIXGBOKHG-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842908 833953283 /nfs/dbraw/zinc/95/32/83/833953283.db2.gz RTPPAGTXRIQRCE-UONOGXRCSA-N 2 0 306.410 -0.589 20 30 DBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850661 833953373 /nfs/dbraw/zinc/95/33/73/833953373.db2.gz FNSVYDJLQZEBCG-JKSUJKDBSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188100453 833965986 /nfs/dbraw/zinc/96/59/86/833965986.db2.gz SZSXRGDRJHNOOS-OAHLLOKOSA-N 2 0 320.437 -0.198 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001277785883 833991440 /nfs/dbraw/zinc/99/14/40/833991440.db2.gz PQHBERVOSPQTOL-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001277982100 834019356 /nfs/dbraw/zinc/01/93/56/834019356.db2.gz RIEDWXGJEFYIOF-CABCVRRESA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001277982102 834019536 /nfs/dbraw/zinc/01/95/36/834019536.db2.gz RIEDWXGJEFYIOF-GJZGRUSLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCOC[C@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001251857981 834510052 /nfs/dbraw/zinc/51/00/52/834510052.db2.gz OOJGSIYOEFPSIX-QGZVFWFLSA-N 2 0 309.454 -0.044 20 30 DBEDRP Cn1cc([C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001261643682 834824671 /nfs/dbraw/zinc/82/46/71/834824671.db2.gz AVMBNIZEBQCYFJ-LSDHHAIUSA-N 2 0 301.394 -0.324 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320435 834856335 /nfs/dbraw/zinc/85/63/35/834856335.db2.gz ZPDPVAFNWSKABL-HUUCEWRRSA-N 2 0 309.410 -0.718 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001263850432 834990968 /nfs/dbraw/zinc/99/09/68/834990968.db2.gz PFVSKBZPRSBHGQ-RWMBFGLXSA-N 2 0 307.398 -0.938 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001264477594 835034033 /nfs/dbraw/zinc/03/40/33/835034033.db2.gz MVKXDORCYIXKKH-QLFBSQMISA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265436728 835140713 /nfs/dbraw/zinc/14/07/13/835140713.db2.gz NJMGBMUFJUUTCR-HZSPNIEDSA-N 2 0 308.426 -0.345 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265726417 835166304 /nfs/dbraw/zinc/16/63/04/835166304.db2.gz CRQMHGNZOCIIQN-ZSAUSMIDSA-N 2 0 318.421 -0.878 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001265784043 835172550 /nfs/dbraw/zinc/17/25/50/835172550.db2.gz UOTBKDKWONXHIM-QWHCGFSZSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCCO1 ZINC001201726712 835207100 /nfs/dbraw/zinc/20/71/00/835207100.db2.gz MUIAVWSTFNTMSF-INIZCTEOSA-N 2 0 323.437 -0.063 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266026849 835219053 /nfs/dbraw/zinc/21/90/53/835219053.db2.gz SXMCJKRXPZRFKP-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266078105 835227409 /nfs/dbraw/zinc/22/74/09/835227409.db2.gz BVJURQWZFYNAMU-HUUCEWRRSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001266126441 835233534 /nfs/dbraw/zinc/23/35/34/835233534.db2.gz WUZINTMSSZVBFR-OAHLLOKOSA-N 2 0 320.437 -0.199 20 30 DBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266191881 835245971 /nfs/dbraw/zinc/24/59/71/835245971.db2.gz MAJJAJDXJKOJCQ-KBPBESRZSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202531228 835253175 /nfs/dbraw/zinc/25/31/75/835253175.db2.gz CYJCQSUEVZVMEI-AWEZNQCLSA-N 2 0 308.426 -0.343 20 30 DBEDRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203337311 835293229 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20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001488878500 1014626550 /nfs/dbraw/zinc/62/65/50/1014626550.db2.gz LUDDJJCGDLHNHL-IHRRRGAJSA-N 2 0 306.410 -0.828 20 30 DBEDRP C/C(=C\C(=O)NCC#CC[NH+](C)C)C(=O)NCC#CC[NH+](C)C ZINC001347143310 980200107 /nfs/dbraw/zinc/20/01/07/980200107.db2.gz OZOFNCNONPSUBE-CCEZHUSRSA-N 2 0 318.421 -0.705 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490727273 1015095782 /nfs/dbraw/zinc/09/57/82/1015095782.db2.gz AQNSNSBSMQDGST-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734464 1015100849 /nfs/dbraw/zinc/10/08/49/1015100849.db2.gz AYPSGESBFDMOEM-KGLIPLIRSA-N 2 0 308.426 -0.275 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490856782 1015134414 /nfs/dbraw/zinc/13/44/14/1015134414.db2.gz NAQOJAGTEUKUMK-HNNXBMFYSA-N 2 0 320.437 -0.198 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490876630 1015140125 /nfs/dbraw/zinc/14/01/25/1015140125.db2.gz IDNCULMUOOGTBF-SYQHCUMBSA-N 2 0 306.410 -0.545 20 30 DBEDRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183160 1015275922 /nfs/dbraw/zinc/27/59/22/1015275922.db2.gz AIZYOQCGNBRSKW-KBPBESRZSA-N 2 0 321.425 -0.594 20 30 DBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001491334527 1015358195 /nfs/dbraw/zinc/35/81/95/1015358195.db2.gz KASJUZOYQYKPRC-BTFPBAQTSA-N 2 0 320.437 -0.325 20 30 DBEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001491625305 1015526924 /nfs/dbraw/zinc/52/69/24/1015526924.db2.gz LIDNGXXPPPEFPC-AWEZNQCLSA-N 2 0 311.426 -0.159 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376874972 990362870 /nfs/dbraw/zinc/36/28/70/990362870.db2.gz FVFRKKNPJPTNHV-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001376874961 990362982 /nfs/dbraw/zinc/36/29/82/990362982.db2.gz FVFRKKNPJPTNHV-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491857807 1015655090 /nfs/dbraw/zinc/65/50/90/1015655090.db2.gz YOUBZOBDJREGKV-CQSZACIVSA-N 2 0 306.410 -0.730 20 30 DBEDRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890754 1015664379 /nfs/dbraw/zinc/66/43/79/1015664379.db2.gz FSRSVKJZKSMOAV-UONOGXRCSA-N 2 0 323.441 -0.015 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392468517 996948757 /nfs/dbraw/zinc/94/87/57/996948757.db2.gz ZPZZBKZEFAFRGT-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495095840 1016547836 /nfs/dbraw/zinc/54/78/36/1016547836.db2.gz XPLADNBTWZGFSZ-CYBMUJFWSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001495231314 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HRCVVMMYUQOYCS-KGLIPLIRSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC(=O)NC)C(C)C)CC1 ZINC001496639150 1016978243 /nfs/dbraw/zinc/97/82/43/1016978243.db2.gz KIQQFCCKABSWPO-OAHLLOKOSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480109419 1010537078 /nfs/dbraw/zinc/53/70/78/1010537078.db2.gz DOGSHPJFCVCUAC-GJZGRUSLSA-N 2 0 318.421 -0.732 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480140636 1010552074 /nfs/dbraw/zinc/55/20/74/1010552074.db2.gz BCCHXKAJUSVMJB-MGPQQGTHSA-N 2 0 321.425 -0.263 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480223873 1010580022 /nfs/dbraw/zinc/58/00/22/1010580022.db2.gz KUYYUNHPWYXBOH-MELADBBJSA-N 2 0 306.410 -0.686 20 30 DBEDRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001480301352 1010606747 /nfs/dbraw/zinc/60/67/47/1010606747.db2.gz VNJBZCRYQLLWGY-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001480649495 1010729093 /nfs/dbraw/zinc/72/90/93/1010729093.db2.gz WWXDSWLVXFIDJI-ZDUSSCGKSA-N 2 0 321.425 -0.451 20 30 DBEDRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001480765251 1010756825 /nfs/dbraw/zinc/75/68/25/1010756825.db2.gz CIHQLXVYTXYNCU-JHJVBQTASA-N 2 0 309.414 -0.549 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481518124 1010896481 /nfs/dbraw/zinc/89/64/81/1010896481.db2.gz HVUUYAKFRVJINF-UHFFFAOYSA-N 2 0 322.453 -0.142 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481522330 1010898151 /nfs/dbraw/zinc/89/81/51/1010898151.db2.gz YUBICKRXYXGJBF-QLFBSQMISA-N 2 0 320.437 -0.201 20 30 DBEDRP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001481981860 1011035989 /nfs/dbraw/zinc/03/59/89/1011035989.db2.gz AEIOMZLZMCFGQI-AWEZNQCLSA-N 2 0 323.441 -0.204 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C 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ZINC001483913854 1012202803 /nfs/dbraw/zinc/20/28/03/1012202803.db2.gz KHIRHXXOJYJFQG-UONOGXRCSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001483913853 1012203570 /nfs/dbraw/zinc/20/35/70/1012203570.db2.gz KHIRHXXOJYJFQG-KGLIPLIRSA-N 2 0 321.425 -0.309 20 30 DBEDRP C=CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484250179 1012461873 /nfs/dbraw/zinc/46/18/73/1012461873.db2.gz CTZCMMWKNTVSFB-HOCLYGCPSA-N 2 0 311.426 -0.306 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001484253616 1012464871 /nfs/dbraw/zinc/46/48/71/1012464871.db2.gz YVLZOEINYKOLHM-PBHICJAKSA-N 2 0 323.437 -0.735 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001484253624 1012464943 /nfs/dbraw/zinc/46/49/43/1012464943.db2.gz YVLZOEINYKOLHM-YOEHRIQHSA-N 2 0 323.437 -0.735 20 30 DBEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001484700074 1012836734 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OEBAALVWUCPWFI-XOKHGSTOSA-N 2 0 319.405 -0.115 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001274299072 833058732 /nfs/dbraw/zinc/05/87/32/833058732.db2.gz SGAACCMTDGXYGT-STQMWFEESA-N 2 0 309.414 -0.597 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)C1 ZINC001274371592 833069329 /nfs/dbraw/zinc/06/93/29/833069329.db2.gz XTGCGXYYQZMZCJ-ZRMMWKCHSA-N 2 0 307.398 -0.770 20 30 DBEDRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001100407735 826960205 /nfs/dbraw/zinc/96/02/05/826960205.db2.gz HNQUOAZUIKYXJN-ABIUDSBCSA-N 2 0 321.425 -0.549 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001274797092 833128654 /nfs/dbraw/zinc/12/86/54/833128654.db2.gz BJWKWCXLEQDNIT-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100873114 827040861 /nfs/dbraw/zinc/04/08/61/827040861.db2.gz VCAHJNYNNIXEND-IYXRBSQSSA-N 2 0 321.425 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100898401 827041527 /nfs/dbraw/zinc/04/15/27/827041527.db2.gz DBUKHRGTAXJNFO-UHFFFAOYSA-N 2 0 322.453 -0.048 20 30 DBEDRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100896894 827041739 /nfs/dbraw/zinc/04/17/39/827041739.db2.gz QPJUDQMFSUAZLE-UHFFFAOYSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984292 827058405 /nfs/dbraw/zinc/05/84/05/827058405.db2.gz CLLQFJVLSUHUBJ-NFOMZHRRSA-N 2 0 320.437 -0.296 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984305 827059509 /nfs/dbraw/zinc/05/95/09/827059509.db2.gz DBSOVKBFMWCOLB-UHFFFAOYSA-N 2 0 308.426 -0.131 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001101039469 827065665 /nfs/dbraw/zinc/06/56/65/827065665.db2.gz NFCLHGJLDWNNQH-UHFFFAOYSA-N 2 0 309.414 -0.549 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+]1CCCCC1 ZINC001275039863 833147718 /nfs/dbraw/zinc/14/77/18/833147718.db2.gz 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C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102378072 827200859 /nfs/dbraw/zinc/20/08/59/827200859.db2.gz MQPNNYSYVYNTMX-KFWWJZLASA-N 2 0 322.453 -0.240 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621825 827363571 /nfs/dbraw/zinc/36/35/71/827363571.db2.gz MEPLCOJKBYUFRU-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105191776 827402173 /nfs/dbraw/zinc/40/21/73/827402173.db2.gz FCJPATURYJYMAM-HNNXBMFYSA-N 2 0 316.409 -0.132 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245683 833232810 /nfs/dbraw/zinc/23/28/10/833232810.db2.gz BIFKFVVCSDRDMN-UHFFFAOYSA-N 2 0 320.393 -0.200 20 30 DBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106984325 827690925 /nfs/dbraw/zinc/69/09/25/827690925.db2.gz JDXCVNFPGDCWMZ-ZIAGYGMSSA-N 2 0 321.425 -0.594 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C2)CC1 ZINC001107030381 827694127 /nfs/dbraw/zinc/69/41/27/827694127.db2.gz BFTSKTGCHYDZTE-UKRRQHHQSA-N 2 0 320.437 -0.499 20 30 DBEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794031 833259776 /nfs/dbraw/zinc/25/97/76/833259776.db2.gz IAKGKNYJCAUHBS-UHFFFAOYSA-N 2 0 313.402 -0.954 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166736544 833279904 /nfs/dbraw/zinc/27/99/04/833279904.db2.gz NMHDIFNTTNEFOL-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166881483 833283922 /nfs/dbraw/zinc/28/39/22/833283922.db2.gz DJBHSXSDHNTWDB-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167626700 833305808 /nfs/dbraw/zinc/30/58/08/833305808.db2.gz FUARAIGKSKKBTK-CQSZACIVSA-N 2 0 323.441 -0.015 20 30 DBEDRP C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCCC1 ZINC001167610554 833305820 /nfs/dbraw/zinc/30/58/20/833305820.db2.gz SXVARQZEYVOJCE-CQSZACIVSA-N 2 0 323.441 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030386 833316062 /nfs/dbraw/zinc/31/60/62/833316062.db2.gz NVHZCMTVHCTIBJ-HUUCEWRRSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226670 833368077 /nfs/dbraw/zinc/36/80/77/833368077.db2.gz JCHDTTJAONNQQP-UONOGXRCSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303398 833368702 /nfs/dbraw/zinc/36/87/02/833368702.db2.gz IUJQUCQHPVCDIR-CYBMUJFWSA-N 2 0 308.426 -0.131 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001176057056 833399369 /nfs/dbraw/zinc/39/93/69/833399369.db2.gz MLZDNGBJGBTTPI-KBPBESRZSA-N 2 0 308.426 -0.179 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072590 833400073 /nfs/dbraw/zinc/40/00/73/833400073.db2.gz ZMRZCVRPEKVNQS-AWEZNQCLSA-N 2 0 323.441 -0.204 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176110274 833400781 /nfs/dbraw/zinc/40/07/81/833400781.db2.gz JJCXZLSZNDXHQD-AWEZNQCLSA-N 2 0 308.426 -0.035 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176152806 833401767 /nfs/dbraw/zinc/40/17/67/833401767.db2.gz LEOVGOGMUIRQTR-OAHLLOKOSA-N 2 0 311.426 -0.300 20 30 DBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)C[NH+]1CCCC1 ZINC001176573200 833409026 /nfs/dbraw/zinc/40/90/26/833409026.db2.gz JXZYGJCEAZDKJN-CQSZACIVSA-N 2 0 323.441 -0.013 20 30 DBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563946 833409113 /nfs/dbraw/zinc/40/91/13/833409113.db2.gz IJOVFDRBBSTLLT-ZIAGYGMSSA-N 2 0 323.441 -0.158 20 30 DBEDRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NCC#N)C2 ZINC001121696450 829504066 /nfs/dbraw/zinc/50/40/66/829504066.db2.gz SQUVHHRERPQNHO-UHFFFAOYSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176844655 833424815 /nfs/dbraw/zinc/42/48/15/833424815.db2.gz NEWOJFRFNJMRCY-CHWSQXEVSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001176926442 833438033 /nfs/dbraw/zinc/43/80/33/833438033.db2.gz MPQBQYCEVLCMDO-OAHLLOKOSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001176925825 833436927 /nfs/dbraw/zinc/43/69/27/833436927.db2.gz CDCBJYLYKPWLFP-UHFFFAOYSA-N 2 0 318.421 -0.823 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001176926191 833436952 /nfs/dbraw/zinc/43/69/52/833436952.db2.gz IOWZKPGQOHKPSX-AWEZNQCLSA-N 2 0 306.410 -0.684 20 30 DBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867395 829796866 /nfs/dbraw/zinc/79/68/66/829796866.db2.gz VHSRAYFJXYFXLC-CQSZACIVSA-N 2 0 308.426 -0.013 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255678 829995639 /nfs/dbraw/zinc/99/56/39/829995639.db2.gz KQTISTTVGNIDRL-KGLIPLIRSA-N 2 0 308.426 -0.131 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255677 829996404 /nfs/dbraw/zinc/99/64/04/829996404.db2.gz KQTISTTVGNIDRL-KBPBESRZSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481191 830014145 /nfs/dbraw/zinc/01/41/45/830014145.db2.gz QRTRPYRTWLHVJJ-GXTWGEPZSA-N 2 0 306.410 -0.828 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481772 830014165 /nfs/dbraw/zinc/01/41/65/830014165.db2.gz WREUQLAJAVIGOD-LSDHHAIUSA-N 2 0 320.437 -0.179 20 30 DBEDRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001129340599 830173162 /nfs/dbraw/zinc/17/31/62/830173162.db2.gz NNNZVEUATGOJMC-ZDUSSCGKSA-N 2 0 309.414 -0.690 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1=O ZINC001129443042 830182104 /nfs/dbraw/zinc/18/21/04/830182104.db2.gz GXEFSQNEOKCPEZ-ZIAGYGMSSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685161 830201559 /nfs/dbraw/zinc/20/15/59/830201559.db2.gz OKINKKAQMBYZNM-ILXRZTDVSA-N 2 0 316.409 -0.263 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983384 830239008 /nfs/dbraw/zinc/23/90/08/830239008.db2.gz ZZDLEOWBHCTHNL-KGLIPLIRSA-N 2 0 316.409 -0.405 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107743 830263951 /nfs/dbraw/zinc/26/39/51/830263951.db2.gz YZOMPVRRIZHFOY-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137117 830269624 /nfs/dbraw/zinc/26/96/24/830269624.db2.gz JVUIOMSYICMHFQ-CABCVRRESA-N 2 0 318.425 -0.017 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710816 830367640 /nfs/dbraw/zinc/36/76/40/830367640.db2.gz FXKCJYOMIBFIEZ-CQSZACIVSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131375075 830463547 /nfs/dbraw/zinc/46/35/47/830463547.db2.gz QKEIKHZOOIHWPI-LBPRGKRZSA-N 2 0 313.361 -0.208 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131793791 830532647 /nfs/dbraw/zinc/53/26/47/830532647.db2.gz CKQUTOIJYHSROL-UHFFFAOYSA-N 2 0 322.453 -0.046 20 30 DBEDRP C[N@H+](CCC(=O)NCC[NH2+]CC(=O)NCC#N)C1CCCCC1 ZINC001131815538 830536055 /nfs/dbraw/zinc/53/60/55/830536055.db2.gz IDFJMEGNWYXAKW-UHFFFAOYSA-N 2 0 323.441 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983952 830725728 /nfs/dbraw/zinc/72/57/28/830725728.db2.gz RQRYBPCTCMMBHZ-UHFFFAOYSA-N 2 0 306.366 -0.590 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133866948 830843619 /nfs/dbraw/zinc/84/36/19/830843619.db2.gz QAMIFAVVLNBKID-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134759339 830974533 /nfs/dbraw/zinc/97/45/33/830974533.db2.gz MNBGVGVCBIWJAT-CYBMUJFWSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095654 831010243 /nfs/dbraw/zinc/01/02/43/831010243.db2.gz MYEUARJKBYBGLE-KGLIPLIRSA-N 2 0 306.410 -0.542 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623079 833683901 /nfs/dbraw/zinc/68/39/01/833683901.db2.gz DOGSHPJFCVCUAC-HUUCEWRRSA-N 2 0 318.421 -0.732 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377572 831063106 /nfs/dbraw/zinc/06/31/06/831063106.db2.gz ATNICQYFTQVFLT-KGLIPLIRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001183230404 833711313 /nfs/dbraw/zinc/71/13/13/833711313.db2.gz XKJRBHVUENCDSV-GFCCVEGCSA-N 2 0 307.398 -0.699 20 30 DBEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)C1=O ZINC001185407796 833794660 /nfs/dbraw/zinc/79/46/60/833794660.db2.gz CDKBEFWFOOGPIU-KGLIPLIRSA-N 2 0 308.426 -0.085 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC)CC1 ZINC001146569643 831284805 /nfs/dbraw/zinc/28/48/05/831284805.db2.gz BORHIYDACDQXFR-ZIAGYGMSSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O)CC1 ZINC001146585472 831285639 /nfs/dbraw/zinc/28/56/39/831285639.db2.gz YFUGMYPRQLGUTH-CHWSQXEVSA-N 2 0 308.426 -0.310 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O)CC1 ZINC001146585474 831285681 /nfs/dbraw/zinc/28/56/81/831285681.db2.gz YFUGMYPRQLGUTH-QWHCGFSZSA-N 2 0 308.426 -0.310 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001276702637 833451587 /nfs/dbraw/zinc/45/15/87/833451587.db2.gz HYOHMMNPLKGRCM-CYBMUJFWSA-N 2 0 307.398 -0.794 20 30 DBEDRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001147824510 831410130 /nfs/dbraw/zinc/41/01/30/831410130.db2.gz KPDPFTQSDFFMNE-STQMWFEESA-N 2 0 309.414 -0.548 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970848 831420671 /nfs/dbraw/zinc/42/06/71/831420671.db2.gz SEYKGECYZROBEL-UHFFFAOYSA-N 2 0 321.425 -0.450 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215649 831438069 /nfs/dbraw/zinc/43/80/69/831438069.db2.gz DYZGNUSSHKNQAD-CQSZACIVSA-N 2 0 320.437 -0.390 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnnn2C)CC1 ZINC001152334572 831742541 /nfs/dbraw/zinc/74/25/41/831742541.db2.gz INRUUMBXRHVSKY-UHFFFAOYSA-N 2 0 304.398 -0.634 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152474063 831754429 /nfs/dbraw/zinc/75/44/29/831754429.db2.gz ZDWXNXPHUMYQIL-LSDHHAIUSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314119 831802287 /nfs/dbraw/zinc/80/22/87/831802287.db2.gz GCVBSROHVOXCDD-UHFFFAOYSA-N 2 0 308.426 -0.292 20 30 DBEDRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001157717170 832057810 /nfs/dbraw/zinc/05/78/10/832057810.db2.gz XOYJQXVOVRCODM-CABCVRRESA-N 2 0 302.378 -0.125 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158039269 832085872 /nfs/dbraw/zinc/08/58/72/832085872.db2.gz RWSTZUOQJPCCNY-GJZGRUSLSA-N 2 0 320.437 -0.294 20 30 DBEDRP CC(C)(C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+]1CCCCC1 ZINC001158073156 832087081 /nfs/dbraw/zinc/08/70/81/832087081.db2.gz JZABZGXLLUVYNQ-UHFFFAOYSA-N 2 0 323.441 -0.013 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487038 832117947 /nfs/dbraw/zinc/11/79/47/832117947.db2.gz VISQRRUPBHHTPO-HUUCEWRRSA-N 2 0 309.410 -0.405 20 30 DBEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185659875 833804484 /nfs/dbraw/zinc/80/44/84/833804484.db2.gz RLMKHZRZIAFSMO-QWHCGFSZSA-N 2 0 307.398 -0.699 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659093 833805073 /nfs/dbraw/zinc/80/50/73/833805073.db2.gz DDPNSAWSJJHOIR-UONOGXRCSA-N 2 0 306.410 -0.732 20 30 DBEDRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001269339873 832417117 /nfs/dbraw/zinc/41/71/17/832417117.db2.gz TWNYQVMSFYRGAP-ZIAGYGMSSA-N 2 0 321.425 -0.357 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269428657 832432933 /nfs/dbraw/zinc/43/29/33/832432933.db2.gz QKNCNEKFXOXVOZ-CYBMUJFWSA-N 2 0 321.425 -0.261 20 30 DBEDRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492861 832441736 /nfs/dbraw/zinc/44/17/36/832441736.db2.gz PYEODBYCIFGVHX-CHWSQXEVSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001269544389 832446752 /nfs/dbraw/zinc/44/67/52/832446752.db2.gz DOYGBXUZWLNWBE-AWEZNQCLSA-N 2 0 320.437 -0.151 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001270121878 832502395 /nfs/dbraw/zinc/50/23/95/832502395.db2.gz PMOCSTWIYDFOQT-AWEZNQCLSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001270165283 832507263 /nfs/dbraw/zinc/50/72/63/832507263.db2.gz KGFDALPGJWEIAR-CQSZACIVSA-N 2 0 318.421 -0.588 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001270506050 832540970 /nfs/dbraw/zinc/54/09/70/832540970.db2.gz AAFQTLGEIPJHAA-KGLIPLIRSA-N 2 0 322.453 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C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001271458558 832670635 /nfs/dbraw/zinc/67/06/35/832670635.db2.gz NQWQFZXGKTZADS-LSDHHAIUSA-N 2 0 322.453 -0.097 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271659286 832691168 /nfs/dbraw/zinc/69/11/68/832691168.db2.gz GLNUYJJMJWQXNW-KGLIPLIRSA-N 2 0 310.442 -0.076 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271657488 832691173 /nfs/dbraw/zinc/69/11/73/832691173.db2.gz ZKJXTKCCPTYWCG-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271657487 832691205 /nfs/dbraw/zinc/69/12/05/832691205.db2.gz ZKJXTKCCPTYWCG-CABCVRRESA-N 2 0 322.453 -0.096 20 30 DBEDRP CN(CCN(C)C(=O)C[N@H+](C)C1CCC1)CC(=O)NCC#N ZINC001272033962 832732589 /nfs/dbraw/zinc/73/25/89/832732589.db2.gz YNPSCARDKTYVSP-UHFFFAOYSA-N 2 0 309.414 -0.499 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932980 832861625 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DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273381484 832920271 /nfs/dbraw/zinc/92/02/71/832920271.db2.gz HHBYSCAGVBRVNX-ZIAGYGMSSA-N 2 0 308.426 -0.486 20 30 DBEDRP CN(CCC[N@H+](C)CC(=O)NCC#N)C(=O)C1([NH+](C)C)CCC1 ZINC001273524172 832934259 /nfs/dbraw/zinc/93/42/59/832934259.db2.gz MRWOGYRLMUIFNW-UHFFFAOYSA-N 2 0 323.441 -0.109 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001273591051 832941058 /nfs/dbraw/zinc/94/10/58/832941058.db2.gz BZRZPGRUSNVJMS-CQSZACIVSA-N 2 0 322.453 -0.014 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC(N)=O)CC1 ZINC001273591530 832941443 /nfs/dbraw/zinc/94/14/43/832941443.db2.gz UZILEPSOLPPYIF-UHFFFAOYSA-N 2 0 308.426 -0.403 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160835324 832948675 /nfs/dbraw/zinc/94/86/75/832948675.db2.gz YRZGDIPTYXFDQH-UHFFFAOYSA-N 2 0 320.437 -0.292 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160867969 832955264 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C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319693 834854209 /nfs/dbraw/zinc/85/42/09/834854209.db2.gz PFPILJUVQQNYND-HUUCEWRRSA-N 2 0 311.426 -0.165 20 30 DBEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699111 834961449 /nfs/dbraw/zinc/96/14/49/834961449.db2.gz JDMSXALPGGUFFC-RBSFLKMASA-N 2 0 311.426 -0.308 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001263863872 834993259 /nfs/dbraw/zinc/99/32/59/834993259.db2.gz GWYQBFSJHYOHLR-KKUMJFAQSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264440490 835032540 /nfs/dbraw/zinc/03/25/40/835032540.db2.gz DJDPIAONUBWHPA-RBSFLKMASA-N 2 0 322.453 -0.051 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001264439369 835032621 /nfs/dbraw/zinc/03/26/21/835032621.db2.gz PFVSKBZPRSBHGQ-JHJVBQTASA-N 2 0 307.398 -0.938 20 30 DBEDRP 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CC[NH+](CC)CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203006211 835276810 /nfs/dbraw/zinc/27/68/10/835276810.db2.gz WFIGEVXMXRHZLO-UHFFFAOYSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337280 835293633 /nfs/dbraw/zinc/29/36/33/835293633.db2.gz GGDKDVUZMVEFSO-CQSZACIVSA-N 2 0 320.437 -0.342 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203437418 835296205 /nfs/dbraw/zinc/29/62/05/835296205.db2.gz LCVNBHGSJDLUPC-UHFFFAOYSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714092 835305297 /nfs/dbraw/zinc/30/52/97/835305297.db2.gz FTAHFXGKZKGCCT-AWEZNQCLSA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699356 835305310 /nfs/dbraw/zinc/30/53/10/835305310.db2.gz IQHAHSMDJBSETM-UONOGXRCSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699357 835306034 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310.442 -0.029 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001267991007 835616907 /nfs/dbraw/zinc/61/69/07/835616907.db2.gz YTULKKRGISVOEL-UONOGXRCSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001268135902 835634888 /nfs/dbraw/zinc/63/48/88/835634888.db2.gz RORKOIAXISKHFF-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268479952 835705402 /nfs/dbraw/zinc/70/54/02/835705402.db2.gz YFQDFBJVHIJLHW-CQSZACIVSA-N 2 0 308.426 -0.484 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268651320 835765626 /nfs/dbraw/zinc/76/56/26/835765626.db2.gz APDRQBHTTODWPY-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C)CC1 ZINC001268716354 835787456 /nfs/dbraw/zinc/78/74/56/835787456.db2.gz BGSSBMYQNJDZNO-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001486007240 1013550528 /nfs/dbraw/zinc/55/05/28/1013550528.db2.gz CBDLLBZJKZQHQK-OAHLLOKOSA-N 2 0 323.437 -0.421 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001486093325 1013670911 /nfs/dbraw/zinc/67/09/11/1013670911.db2.gz LJCPQDKSADYJNB-QWHCGFSZSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001486092237 1013672452 /nfs/dbraw/zinc/67/24/52/1013672452.db2.gz CGTXUHVXOGAGCQ-ZIAGYGMSSA-N 2 0 308.426 -0.343 20 30 DBEDRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001486482436 1013848458 /nfs/dbraw/zinc/84/84/58/1013848458.db2.gz DMRXGWFXQVNLNR-UHFFFAOYSA-N 2 0 307.398 -0.699 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207689019 978235907 /nfs/dbraw/zinc/23/59/07/978235907.db2.gz VGYBQECVDHLUJQ-QWHCGFSZSA-N 2 0 307.398 -0.699 20 30 DBEDRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001207757600 978253091 /nfs/dbraw/zinc/25/30/91/978253091.db2.gz HFKQQYNUZBYMHL-CHWSQXEVSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324758 978446561 /nfs/dbraw/zinc/44/65/61/978446561.db2.gz VAPUCLWEPSKCER-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643634 978468361 /nfs/dbraw/zinc/46/83/61/978468361.db2.gz UOYRONZIMPSNPR-UONOGXRCSA-N 2 0 321.425 -0.451 20 30 DBEDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210217504 978503365 /nfs/dbraw/zinc/50/33/65/978503365.db2.gz JJLNTEJEJWQMQP-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210674400 978524519 /nfs/dbraw/zinc/52/45/19/978524519.db2.gz VAFLBZXEMAJFCF-ZDUSSCGKSA-N 2 0 319.409 -0.697 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861054 978754481 /nfs/dbraw/zinc/75/44/81/978754481.db2.gz GTNXFBBBCXRRSM-UKRRQHHQSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952655 978757055 /nfs/dbraw/zinc/75/70/55/978757055.db2.gz GSRQMBUWHMXATE-MGPQQGTHSA-N 2 0 308.426 -0.488 20 30 DBEDRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214969363 978757404 /nfs/dbraw/zinc/75/74/04/978757404.db2.gz PGCLILCMGLZKCK-MGPQQGTHSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214996795 978758507 /nfs/dbraw/zinc/75/85/07/978758507.db2.gz CYWURYKFIVWPSL-ZIAGYGMSSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215421917 978769367 /nfs/dbraw/zinc/76/93/67/978769367.db2.gz QBEBYLYSJLGYRL-CHWSQXEVSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474349 978771193 /nfs/dbraw/zinc/77/11/93/978771193.db2.gz NJFWREHZAPDREZ-IIAWOOMASA-N 2 0 322.453 -0.242 20 30 DBEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216464720 978787840 /nfs/dbraw/zinc/78/78/40/978787840.db2.gz STFGUMVLWHUVFW-ZIAGYGMSSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757735 978793026 /nfs/dbraw/zinc/79/30/26/978793026.db2.gz KIZRKHZCNYXNJC-RBSFLKMASA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001219651882 978988085 /nfs/dbraw/zinc/98/80/85/978988085.db2.gz YRYSQHKESXPVPK-YFKTTZPYSA-N 2 0 319.427 -0.945 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCC1(O)C[NH2+]C1 ZINC001219697312 978995831 /nfs/dbraw/zinc/99/58/31/978995831.db2.gz RRGZOHJVTYESNB-AWEZNQCLSA-N 2 0 302.378 -0.341 20 30 DBEDRP COCC#CCN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813929 979025169 /nfs/dbraw/zinc/02/51/69/979025169.db2.gz LJFPPJWRAMODTF-CABCVRRESA-N 2 0 309.410 -0.718 20 30 DBEDRP N#CN=C(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccncc1 ZINC001219972478 979054485 /nfs/dbraw/zinc/05/44/85/979054485.db2.gz PUXVMFNQHWPLEA-ZDUSSCGKSA-N 2 0 315.381 -0.824 20 30 DBEDRP C=C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220392576 979186082 /nfs/dbraw/zinc/18/60/82/979186082.db2.gz HGOIXRMWPDHVPP-AVGNSLFASA-N 2 0 312.414 -0.903 20 30 DBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220415703 979194096 /nfs/dbraw/zinc/19/40/96/979194096.db2.gz TXELUUQNPDEQSQ-QMTHXVAHSA-N 2 0 318.337 -0.493 20 30 DBEDRP CN(CC[NH3+])CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001220517491 979220479 /nfs/dbraw/zinc/22/04/79/979220479.db2.gz NWJXTNUHMGTCHO-CVEARBPZSA-N 2 0 315.421 -0.132 20 30 DBEDRP C=C[C@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)OCC ZINC001220571462 979233905 /nfs/dbraw/zinc/23/39/05/979233905.db2.gz RTFXVWOACFDAPP-OUJBWJOFSA-N 2 0 301.412 -0.370 20 30 DBEDRP C#CCCC1(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)N=N1 ZINC001221411617 979416867 /nfs/dbraw/zinc/41/68/67/979416867.db2.gz ZMLNAEANDKMWFQ-ZDUSSCGKSA-N 2 0 306.414 -0.181 20 30 DBEDRP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223597159 979553591 /nfs/dbraw/zinc/55/35/91/979553591.db2.gz JYGOUYUDHXKLHD-OAHLLOKOSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001488827946 1014589205 /nfs/dbraw/zinc/58/92/05/1014589205.db2.gz HWHCBRNJQWFHMI-KBUPBQIOSA-N 2 0 320.437 -0.440 20 30 DBEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001326783572 979769288 /nfs/dbraw/zinc/76/92/88/979769288.db2.gz BMXIKGRAQZLHLQ-SNVBAGLBSA-N 2 0 306.374 -0.436 20 30 DBEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001327181585 979795908 /nfs/dbraw/zinc/79/59/08/979795908.db2.gz SMMHXCRCDGLNOY-GJZGRUSLSA-N 2 0 323.441 -0.470 20 30 DBEDRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NCC#N ZINC001331528676 979886372 /nfs/dbraw/zinc/88/63/72/979886372.db2.gz FXODKQCIHNUXHE-LBPRGKRZSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001331543604 979887805 /nfs/dbraw/zinc/88/78/05/979887805.db2.gz MGGUFTXFKLORTL-ZDUSSCGKSA-N 2 0 308.426 -0.486 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001488879261 1014626617 /nfs/dbraw/zinc/62/66/17/1014626617.db2.gz YEDBDCRVAZJMRZ-IHRRRGAJSA-N 2 0 308.426 -0.275 20 30 DBEDRP N#CC[C@]1(O)CC[N@H+](CCOCC[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC001345780991 980087268 /nfs/dbraw/zinc/08/72/68/980087268.db2.gz LADDCVUGJNNZAE-IYBDPMFKSA-N 2 0 322.409 -0.296 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)NCCCNC(=O)CC[NH+](C)C ZINC001350226432 980549354 /nfs/dbraw/zinc/54/93/54/980549354.db2.gz AEJPYBQTUUYRJD-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001489080024 1014678525 /nfs/dbraw/zinc/67/85/25/1014678525.db2.gz BYZBTUDGRUIAOK-GFCCVEGCSA-N 2 0 317.393 -0.137 20 30 DBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001354901920 980877158 /nfs/dbraw/zinc/87/71/58/980877158.db2.gz CBCGAXHZRYWKPT-KRWDZBQOSA-N 2 0 313.405 -0.014 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001490842108 1015128791 /nfs/dbraw/zinc/12/87/91/1015128791.db2.gz DDPNSAWSJJHOIR-KGLIPLIRSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001490947039 1015168949 /nfs/dbraw/zinc/16/89/49/1015168949.db2.gz VWQRHMYEZUBQBJ-LXTVHRRPSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001491171246 1015268840 /nfs/dbraw/zinc/26/88/40/1015268840.db2.gz VGRMXOAKTZYYJU-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487265 1015450088 /nfs/dbraw/zinc/45/00/88/1015450088.db2.gz XXUTVFAUDAVTKJ-STQMWFEESA-N 2 0 309.414 -0.405 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001376874980 990364019 /nfs/dbraw/zinc/36/40/19/990364019.db2.gz FVFRKKNPJPTNHV-UONOGXRCSA-N 2 0 323.441 -0.205 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001493186774 1015865044 /nfs/dbraw/zinc/86/50/44/1015865044.db2.gz ZQTUWUFFISIXIW-KBPBESRZSA-N 2 0 308.426 -0.179 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495094591 1016548978 /nfs/dbraw/zinc/54/89/78/1016548978.db2.gz PQXRIOZCNLAVKW-CYBMUJFWSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001495784930 1016721101 /nfs/dbraw/zinc/72/11/01/1016721101.db2.gz JNIHLKDJVZXUCK-UONOGXRCSA-N 2 0 308.426 -0.581 20 30 DBEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001496371781 1016899333 /nfs/dbraw/zinc/89/93/33/1016899333.db2.gz UFDYVMNSFWHKHY-UONOGXRCSA-N 2 0 321.425 -0.451 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001419715371 1004952073 /nfs/dbraw/zinc/95/20/73/1004952073.db2.gz UFAHTGIKMPNGPA-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001419715400 1004952155 /nfs/dbraw/zinc/95/21/55/1004952155.db2.gz UFAHTGIKMPNGPA-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626738 1016974744 /nfs/dbraw/zinc/97/47/44/1016974744.db2.gz HRCVVMMYUQOYCS-ZIAGYGMSSA-N 2 0 323.441 -0.302 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001479285676 1010234429 /nfs/dbraw/zinc/23/44/29/1010234429.db2.gz TZGUVOXNXCPRAO-HZSPNIEDSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001479302828 1010245009 /nfs/dbraw/zinc/24/50/09/1010245009.db2.gz SEBVZFCLAWXZKR-MJBXVCDLSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001480360143 1010617546 /nfs/dbraw/zinc/61/75/46/1010617546.db2.gz URJDITJMQAZSOJ-AWEZNQCLSA-N 2 0 308.426 -0.342 20 30 DBEDRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001480361318 1010619411 /nfs/dbraw/zinc/61/94/11/1010619411.db2.gz LTTXXLQMNXJQHK-KBPBESRZSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001480681066 1010738206 /nfs/dbraw/zinc/73/82/06/1010738206.db2.gz TUTPCJOLHUAQPE-ZDUSSCGKSA-N 2 0 306.410 -0.745 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001481251090 1010873514 /nfs/dbraw/zinc/87/35/14/1010873514.db2.gz CSCDMGKWNWHITH-CQSZACIVSA-N 2 0 320.437 -0.199 20 30 DBEDRP CC[C@H](C(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1)[NH+](C)C ZINC001481909747 1011025998 /nfs/dbraw/zinc/02/59/98/1011025998.db2.gz AHFDSMDGPZGUQJ-CYBMUJFWSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482100192 1011051567 /nfs/dbraw/zinc/05/15/67/1011051567.db2.gz BCBJPZIALRNLKH-LSDHHAIUSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537453 1011173900 /nfs/dbraw/zinc/17/39/00/1011173900.db2.gz CRBQBUMKSHYNRE-CABCVRRESA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001482537454 1011174627 /nfs/dbraw/zinc/17/46/27/1011174627.db2.gz CRBQBUMKSHYNRE-GJZGRUSLSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001482684849 1011263508 /nfs/dbraw/zinc/26/35/08/1011263508.db2.gz DACGMRZGBVPWKV-ZIAGYGMSSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001483548633 1011899976 /nfs/dbraw/zinc/89/99/76/1011899976.db2.gz BVPGVIMOIHYJPO-UONOGXRCSA-N 2 0 308.426 -0.133 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484124103 1012320189 /nfs/dbraw/zinc/32/01/89/1012320189.db2.gz FCUOSZVXOPXHSS-YOEHRIQHSA-N 2 0 320.437 -0.484 20 30 DBEDRP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001484700069 1012836462 /nfs/dbraw/zinc/83/64/62/1012836462.db2.gz XCGGGNXCEWRRPP-CABCVRRESA-N 2 0 311.426 -0.042 20 30 DBEDRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484906049 1012894887 /nfs/dbraw/zinc/89/48/87/1012894887.db2.gz JAOWAOFQVRRZNG-STQMWFEESA-N 2 0 307.398 -0.842 20 30 DBEDRP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485107325 1013001585 /nfs/dbraw/zinc/00/15/85/1013001585.db2.gz NQWQKIRWEQQPJG-UHFFFAOYSA-N 2 0 320.437 -0.131 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001497435503 1017379623 /nfs/dbraw/zinc/37/96/23/1017379623.db2.gz BMRGRJYITOUUBJ-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497586533 1017433191 /nfs/dbraw/zinc/43/31/91/1017433191.db2.gz WMNVZZPMIHMANY-ZQXYTJGRSA-N 2 0 320.437 -0.274 20 30 DBEDRP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CC1 ZINC001497672726 1017464475 /nfs/dbraw/zinc/46/44/75/1017464475.db2.gz CVJBREGBBQLJQP-NSCUHMNNSA-N 2 0 307.398 -0.770 20 30 DBEDRP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CC1 ZINC001497690933 1017471335 /nfs/dbraw/zinc/47/13/35/1017471335.db2.gz 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OC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000342164823 334518690 /nfs/dbraw/zinc/51/86/90/334518690.db2.gz KXOULSHTMNBNAB-FZKCQIBNSA-N 2 0 312.410 -0.751 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419702820 337491534 /nfs/dbraw/zinc/49/15/34/337491534.db2.gz CBPFTQDMJTZIHH-OLZOCXBDSA-N 2 0 308.426 -0.038 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000419738782 337491833 /nfs/dbraw/zinc/49/18/33/337491833.db2.gz ZLBUIKSDNVQGQY-CHWSQXEVSA-N 2 0 308.426 -0.038 20 30 DBEDRP C[NH+]=C(NC[C@H](O)c1ccc(C)o1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261967240 526376554 /nfs/dbraw/zinc/37/65/54/526376554.db2.gz MZJDAVQNWNZSPS-KBPBESRZSA-N 2 0 321.425 -0.214 20 30 DBEDRP C=CC[NH+]1CCC(NC(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1 ZINC000179229250 526416169 /nfs/dbraw/zinc/41/61/69/526416169.db2.gz BHWUZAGCMORVFG-MRXNPFEDSA-N 3 0 320.485 -0.198 20 30 DBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)C[C@H]1CCOC1 ZINC000261607041 528811479 /nfs/dbraw/zinc/81/14/79/528811479.db2.gz DRCJMORYXOPVJO-HUUCEWRRSA-N 2 0 309.458 -0.080 20 30 DBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C(N)=O)CCOCC1 ZINC000303902949 529101099 /nfs/dbraw/zinc/10/10/99/529101099.db2.gz YCJHBLZWMMLTBI-LBPRGKRZSA-N 2 0 311.430 -0.343 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC000981542639 665856504 /nfs/dbraw/zinc/85/65/04/665856504.db2.gz VJNAZOZIGPYIKW-GJZGRUSLSA-N 2 0 320.437 -0.166 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261664640 665964762 /nfs/dbraw/zinc/96/47/62/665964762.db2.gz BFJWHUNCGBZNRE-FVQBIDKESA-N 2 0 320.485 -0.366 20 30 DBEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001020636651 663881476 /nfs/dbraw/zinc/88/14/76/663881476.db2.gz CAJXVNDKZGTZPT-OBJOEFQTSA-N 2 0 317.393 -0.024 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000970792725 664051733 /nfs/dbraw/zinc/05/17/33/664051733.db2.gz SPSDVYJGMHVKRL-CABCVRRESA-N 2 0 318.421 -0.589 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911235318 674696220 /nfs/dbraw/zinc/69/62/20/674696220.db2.gz BXBAFODPBXXVLO-UONOGXRCSA-N 2 0 320.437 -0.179 20 30 DBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000170910120 674908260 /nfs/dbraw/zinc/90/82/60/674908260.db2.gz APSIGGDMVMYVQH-ZDUSSCGKSA-N 2 0 311.430 -0.376 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001029002954 671151516 /nfs/dbraw/zinc/15/15/16/671151516.db2.gz FFYVTEJUVPFYSI-KBPBESRZSA-N 2 0 320.437 -0.357 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001029002955 671152881 /nfs/dbraw/zinc/15/28/81/671152881.db2.gz FFYVTEJUVPFYSI-KGLIPLIRSA-N 2 0 320.437 -0.357 20 30 DBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000303900153 671491028 /nfs/dbraw/zinc/49/10/28/671491028.db2.gz SBZKTFOEBLOAJC-NSHDSACASA-N 2 0 305.448 -0.686 20 30 DBEDRP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262801124 671585395 /nfs/dbraw/zinc/58/53/95/671585395.db2.gz RHUXZOPGSMAFJK-LBPRGKRZSA-N 2 0 315.443 -0.943 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001030019190 671855214 /nfs/dbraw/zinc/85/52/14/671855214.db2.gz HZRAYNDTZVZULR-IHRRRGAJSA-N 2 0 306.410 -0.462 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001000991107 678890793 /nfs/dbraw/zinc/89/07/93/678890793.db2.gz GHWOAZDDGJBJAU-DZGCQCFKSA-N 2 0 320.437 -0.214 20 30 DBEDRP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316622009 805969778 /nfs/dbraw/zinc/96/97/78/805969778.db2.gz JRMDBPCNEILPPM-BETUJISGSA-N 2 0 319.409 -0.794 20 30 DBEDRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001316632823 805971507 /nfs/dbraw/zinc/97/15/07/805971507.db2.gz JHNYLSXCOSNWFP-JHJVBQTASA-N 2 0 309.414 -0.549 20 30 DBEDRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852878372 805986300 /nfs/dbraw/zinc/98/63/00/805986300.db2.gz JIGTXGIWLUERAB-HNNXBMFYSA-N 2 0 320.437 -0.165 20 30 DBEDRP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001316846123 806006632 /nfs/dbraw/zinc/00/66/32/806006632.db2.gz XIUJAJOERALVQS-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001317030700 806072642 /nfs/dbraw/zinc/07/26/42/806072642.db2.gz WLUQOXHZCJCBCI-DZGCQCFKSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317035856 806073981 /nfs/dbraw/zinc/07/39/81/806073981.db2.gz YGGNIMWDNDZLRT-ZFWWWQNUSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040010 806074630 /nfs/dbraw/zinc/07/46/30/806074630.db2.gz CAWKFZTZZWUJBA-OAHLLOKOSA-N 2 0 322.453 -0.142 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NC)C2)CC1 ZINC001317069509 806081684 /nfs/dbraw/zinc/08/16/84/806081684.db2.gz NUWCPAWIVJSBSA-ZFWWWQNUSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317111553 806089926 /nfs/dbraw/zinc/08/99/26/806089926.db2.gz HSBDOVYCKGGNEJ-KBXIAJHMSA-N 2 0 322.453 -0.053 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317124701 806093172 /nfs/dbraw/zinc/09/31/72/806093172.db2.gz VWQRHMYEZUBQBJ-LJISPDSOSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536209 806180359 /nfs/dbraw/zinc/18/03/59/806180359.db2.gz KLUQWUCDEGDXEK-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317585060 806195999 /nfs/dbraw/zinc/19/59/99/806195999.db2.gz MEPZFCODHGXPQM-UHFFFAOYSA-N 2 0 323.441 -0.061 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001318665580 806319513 /nfs/dbraw/zinc/31/95/13/806319513.db2.gz ANLFOWOQAVURHJ-CQSZACIVSA-N 2 0 320.437 -0.294 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319189130 806351614 /nfs/dbraw/zinc/35/16/14/806351614.db2.gz MBKZZROOHSNJFY-HIFRSBDPSA-N 2 0 322.453 -0.028 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319459568 806381298 /nfs/dbraw/zinc/38/12/98/806381298.db2.gz AHYDITZJHSCKAS-JSGCOSHPSA-N 2 0 321.425 -0.596 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319466544 806383037 /nfs/dbraw/zinc/38/30/37/806383037.db2.gz LYSPHGINLDSXOX-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319642832 806399975 /nfs/dbraw/zinc/39/99/75/806399975.db2.gz KVQCZIJDBWNSBK-CABCVRRESA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CCNC(=O)[C@H](C)N(C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001320008534 806429053 /nfs/dbraw/zinc/42/90/53/806429053.db2.gz JBGCQXPKMRSNGX-AWEZNQCLSA-N 2 0 322.453 -0.001 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+][C@H]2CCNC2=O)CC1 ZINC001320643064 806512253 /nfs/dbraw/zinc/51/22/53/806512253.db2.gz BXAWXCVTICNPPT-HIFRSBDPSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001320640635 806512760 /nfs/dbraw/zinc/51/27/60/806512760.db2.gz SILGVMWPJDOPDG-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C=C(C[NH+](C)C)C(=O)NCC1(NC(=O)C(=C)C[NH+](C)C)COC1 ZINC000870198393 806596405 /nfs/dbraw/zinc/59/64/05/806596405.db2.gz BJTLHHYSSGFJBC-UHFFFAOYSA-N 2 0 324.425 -0.777 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321640249 806650498 /nfs/dbraw/zinc/65/04/98/806650498.db2.gz CQEBOJYYYVWOBX-OLZOCXBDSA-N 2 0 308.426 -0.440 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001321746783 806665922 /nfs/dbraw/zinc/66/59/22/806665922.db2.gz PICOWHDMLOTBTM-LSDHHAIUSA-N 2 0 311.426 -0.301 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001322042655 806704400 /nfs/dbraw/zinc/70/44/00/806704400.db2.gz VZJQURYXWYNJDW-STQMWFEESA-N 2 0 308.426 -0.133 20 30 DBEDRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)CCC1 ZINC001323013187 806811615 /nfs/dbraw/zinc/81/16/15/806811615.db2.gz AJRWKECNZZIRQD-ZDUSSCGKSA-N 2 0 321.425 -0.405 20 30 DBEDRP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001323109894 806825593 /nfs/dbraw/zinc/82/55/93/806825593.db2.gz USWFDVDWSJUPNG-KBPBESRZSA-N 2 0 308.426 -0.275 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001278006185 803740438 /nfs/dbraw/zinc/74/04/38/803740438.db2.gz QQGBIMSGGAYWHL-DZGCQCFKSA-N 2 0 320.437 -0.214 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278417133 803790275 /nfs/dbraw/zinc/79/02/75/803790275.db2.gz SUBGRKGXINWNRJ-KBPBESRZSA-N 2 0 318.421 -0.589 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001278613183 803801617 /nfs/dbraw/zinc/80/16/17/803801617.db2.gz JDQLMPFEPXZSQZ-HUUCEWRRSA-N 2 0 320.437 -0.294 20 30 DBEDRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001278815706 803836002 /nfs/dbraw/zinc/83/60/02/803836002.db2.gz HNEGUDYQICCXGI-HOCLYGCPSA-N 2 0 311.426 -0.471 20 30 DBEDRP CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305065825 803837531 /nfs/dbraw/zinc/83/75/31/803837531.db2.gz IQVWRWHJPALPMC-NWDGAFQWSA-N 2 0 302.444 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001279179836 803874660 /nfs/dbraw/zinc/87/46/60/803874660.db2.gz AMASNEPMSXAXDL-GJZGRUSLSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CC[NH2+]CCN(CCO)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001279747065 803916947 /nfs/dbraw/zinc/91/69/47/803916947.db2.gz ZYEFXWXSMJOVIH-UHFFFAOYSA-N 2 0 311.426 -0.612 20 30 DBEDRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001280197805 803940300 /nfs/dbraw/zinc/94/03/00/803940300.db2.gz KGTPUAGGPWIOBK-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP CC(C)[C@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CCC1)[NH+](C)C ZINC001280502405 803966811 /nfs/dbraw/zinc/96/68/11/803966811.db2.gz NSRRQCTXPCQAPO-CQSZACIVSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001283452085 804507165 /nfs/dbraw/zinc/50/71/65/804507165.db2.gz DETURAIHBHYQON-HUUCEWRRSA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001283899928 804604058 /nfs/dbraw/zinc/60/40/58/804604058.db2.gz RKXFDUASEWCGIK-ZIAGYGMSSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001284325875 804684305 /nfs/dbraw/zinc/68/43/05/804684305.db2.gz VTCLKNNHIFBVAJ-UONOGXRCSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC001284325872 804684322 /nfs/dbraw/zinc/68/43/22/804684322.db2.gz VTCLKNNHIFBVAJ-KBPBESRZSA-N 2 0 322.453 -0.097 20 30 DBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001284424585 804702382 /nfs/dbraw/zinc/70/23/82/804702382.db2.gz JDGCHTXRHOPITM-AWEZNQCLSA-N 2 0 313.442 -0.060 20 30 DBEDRP C#CCNC(=O)CN1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284976975 804815009 /nfs/dbraw/zinc/81/50/09/804815009.db2.gz PGPHHQVTBJFGDF-HNNXBMFYSA-N 2 0 320.437 -0.176 20 30 DBEDRP C[NH+](C)CCCNC(=S)NN=C1CC[NH+](CCO)CC1 ZINC000819807639 805135765 /nfs/dbraw/zinc/13/57/65/805135765.db2.gz JBLRFUDBKRKBJS-UHFFFAOYSA-N 2 0 301.460 -0.154 20 30 DBEDRP C=C(CNC(=O)C[NH+]1CCCC1)CNC(=O)C[NH+]1CCCC1 ZINC000824735301 805263584 /nfs/dbraw/zinc/26/35/84/805263584.db2.gz CNUGVXLOKVBQGM-UHFFFAOYSA-N 2 0 308.426 -0.033 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000826867190 805321895 /nfs/dbraw/zinc/32/18/95/805321895.db2.gz IKDBTSHTLGVZBL-CQSZACIVSA-N 2 0 323.441 -0.297 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+](C)C)C1 ZINC001324782110 807005844 /nfs/dbraw/zinc/00/58/44/807005844.db2.gz DOFIBZUOGHTIPU-YOEHRIQHSA-N 2 0 322.453 -0.096 20 30 DBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884643026 807063941 /nfs/dbraw/zinc/06/39/41/807063941.db2.gz VHGSVSDJQRUPGJ-SUMWQHHRSA-N 2 0 320.437 -0.179 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001325580418 807082399 /nfs/dbraw/zinc/08/23/99/807082399.db2.gz GGAAWOWBRGFNLU-KBPBESRZSA-N 2 0 323.441 -0.348 20 30 DBEDRP C=C1[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000900163652 807291031 /nfs/dbraw/zinc/29/10/31/807291031.db2.gz SNMHAXKFUHHVGN-AUZPSNTRSA-N 2 0 310.442 -0.079 20 30 DBEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903492627 807391217 /nfs/dbraw/zinc/39/12/17/807391217.db2.gz IAOOICDTFITCQO-VLXAULBPSA-N 2 0 307.394 -0.014 20 30 DBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC001329465599 807570837 /nfs/dbraw/zinc/57/08/37/807570837.db2.gz PVPSPAAUCOKSTR-KBPBESRZSA-N 2 0 321.425 -0.322 20 30 DBEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001330892204 807757545 /nfs/dbraw/zinc/75/75/45/807757545.db2.gz XRGCZLOUBFFUOM-UHFFFAOYSA-N 2 0 314.393 -0.172 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)NC)[C@H]2C)CC1 ZINC001331943293 807854214 /nfs/dbraw/zinc/85/42/14/807854214.db2.gz HQXRWFKADWRJKN-HIFRSBDPSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001332051681 807866757 /nfs/dbraw/zinc/86/67/57/807866757.db2.gz UCIFQOSHDUAAAS-QWHCGFSZSA-N 2 0 309.414 -0.453 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001332051679 807867167 /nfs/dbraw/zinc/86/71/67/807867167.db2.gz UCIFQOSHDUAAAS-CHWSQXEVSA-N 2 0 309.414 -0.453 20 30 DBEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001332676820 807964699 /nfs/dbraw/zinc/96/46/99/807964699.db2.gz FHZOEAKLJVVTHI-GJZGRUSLSA-N 2 0 313.442 -0.108 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC#CC)C[C@@H]2O)CC1 ZINC000958723754 810012143 /nfs/dbraw/zinc/01/21/43/810012143.db2.gz JMKNVLPEXYHAIH-SJORKVTESA-N 2 0 317.433 -0.236 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC#CC)C[C@@H]2O)CC1 ZINC000958723753 810012307 /nfs/dbraw/zinc/01/23/07/810012307.db2.gz JMKNVLPEXYHAIH-IRXDYDNUSA-N 2 0 317.433 -0.236 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC000962779010 810580115 /nfs/dbraw/zinc/58/01/15/810580115.db2.gz RHRTVKLDDBMZQX-OJLVUWQFSA-N 2 0 305.422 -0.241 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C[C@H]2C)CC1 ZINC001044871801 816513584 /nfs/dbraw/zinc/51/35/84/816513584.db2.gz LXSQDNHDNITSSU-UKRRQHHQSA-N 2 0 320.437 -0.214 20 30 DBEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010759 816718195 /nfs/dbraw/zinc/71/81/95/816718195.db2.gz UHMLBPIQEKVMBR-CVEARBPZSA-N 2 0 304.438 -0.068 20 30 DBEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001046010761 816719302 /nfs/dbraw/zinc/71/93/02/816719302.db2.gz UHMLBPIQEKVMBR-HZPDHXFCSA-N 2 0 304.438 -0.068 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)CC1 ZINC001047638101 817247796 /nfs/dbraw/zinc/24/77/96/817247796.db2.gz BOUKMGBBILWURH-BPUTZDHNSA-N 2 0 323.437 -0.784 20 30 DBEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055631632 818266413 /nfs/dbraw/zinc/26/64/13/818266413.db2.gz JMGDEDHIRGZVCW-CYBMUJFWSA-N 2 0 323.441 -0.205 20 30 DBEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158965 820410429 /nfs/dbraw/zinc/41/04/29/820410429.db2.gz ZCKLKLWXGRFQHO-MCIONIFRSA-N 2 0 304.398 -0.100 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070207707 820424097 /nfs/dbraw/zinc/42/40/97/820424097.db2.gz KGRGLDYQHHAXFI-KGLIPLIRSA-N 2 0 316.409 -0.263 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070213860 820426584 /nfs/dbraw/zinc/42/65/84/820426584.db2.gz YYZHMPQUHFCUNS-ILXRZTDVSA-N 2 0 318.425 -0.161 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]2C)CC1 ZINC001075128628 821490010 /nfs/dbraw/zinc/49/00/10/821490010.db2.gz OXRNIASSTFRXKK-IPYPFGDCSA-N 2 0 320.437 -0.216 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014110 821968220 /nfs/dbraw/zinc/96/82/20/821968220.db2.gz CZWGYNHLZIWRTB-HUUCEWRRSA-N 2 0 319.409 -0.757 20 30 DBEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418510 822106665 /nfs/dbraw/zinc/10/66/65/822106665.db2.gz SBNQDGIUGYYBLD-QJNCVLDKSA-N 2 0 319.405 -0.966 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@@H]2O)CC1 ZINC001084087993 824886460 /nfs/dbraw/zinc/88/64/60/824886460.db2.gz KUQISFHHIMVALK-CABCVRRESA-N 2 0 309.410 -0.861 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCO)C[C@H]32)CC1 ZINC001084850334 824985762 /nfs/dbraw/zinc/98/57/62/824985762.db2.gz WSRCORREAOVANL-HZPDHXFCSA-N 2 0 305.422 -0.143 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115080778 828784275 /nfs/dbraw/zinc/78/42/75/828784275.db2.gz DSFHMOWCHIMWSN-NYTXWWLZSA-N 2 0 320.437 -0.488 20 30 DBEDRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001161487387 833025568 /nfs/dbraw/zinc/02/55/68/833025568.db2.gz FZMVBLDVPURTKK-MDZLAQPJSA-N 2 0 319.427 -0.720 20 30 DBEDRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001274251486 833050558 /nfs/dbraw/zinc/05/05/58/833050558.db2.gz PETDCFZNOAJWSZ-OCCSQVGLSA-N 2 0 321.425 -0.596 20 30 DBEDRP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)C1 ZINC001274371586 833069118 /nfs/dbraw/zinc/06/91/18/833069118.db2.gz XTGCGXYYQZMZCJ-XQJDBVBESA-N 2 0 307.398 -0.770 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001274579248 833104188 /nfs/dbraw/zinc/10/41/88/833104188.db2.gz TWMJTUFWFSQGFR-BUHQSOCUSA-N 2 0 308.426 -0.109 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O)CC1 ZINC001274610821 833109526 /nfs/dbraw/zinc/10/95/26/833109526.db2.gz QUTLFJJDCCSMKC-DSYXLKISSA-N 2 0 306.410 -0.533 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274753475 833124958 /nfs/dbraw/zinc/12/49/58/833124958.db2.gz UXNDBPFJTNSWQE-DGCLKSJQSA-N 2 0 307.398 -0.938 20 30 DBEDRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001100651662 826997815 /nfs/dbraw/zinc/99/78/15/826997815.db2.gz CBLXGUDKIZQWTQ-SSDMNJCBSA-N 2 0 323.441 -0.303 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829927 827031649 /nfs/dbraw/zinc/03/16/49/827031649.db2.gz SIYVCMAULUTGTD-UHFFFAOYSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100904936 827042758 /nfs/dbraw/zinc/04/27/58/827042758.db2.gz OHZLAJJJPAIYCU-WLYUNCDWSA-N 2 0 322.453 -0.050 20 30 DBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100982524 827058554 /nfs/dbraw/zinc/05/85/54/827058554.db2.gz YEDBDCRVAZJMRZ-MOKVOYLWSA-N 2 0 308.426 -0.275 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001275054355 833148197 /nfs/dbraw/zinc/14/81/97/833148197.db2.gz PEXORQDGERRFIQ-AWEZNQCLSA-N 2 0 321.425 -0.307 20 30 DBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001275173271 833155652 /nfs/dbraw/zinc/15/56/52/833155652.db2.gz DAFCUWRLIQZDSR-STQMWFEESA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001275284604 833167305 /nfs/dbraw/zinc/16/73/05/833167305.db2.gz NHZMTFZBOOTYDI-WLYUNCDWSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372367 827441046 /nfs/dbraw/zinc/44/10/46/827441046.db2.gz BTRLOYSFXDQWFI-ZDUSSCGKSA-N 2 0 316.409 -0.274 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538407 833218008 /nfs/dbraw/zinc/21/80/08/833218008.db2.gz GOXHJQWMFLKLAW-HNNXBMFYSA-N 2 0 311.426 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039494 827695039 /nfs/dbraw/zinc/69/50/39/827695039.db2.gz UMAGKNRTNWQYPQ-HUUCEWRRSA-N 2 0 322.453 -0.240 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165718509 833257873 /nfs/dbraw/zinc/25/78/73/833257873.db2.gz KZDXSPWMPNAJSA-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+](CC)CC ZINC001166424370 833271464 /nfs/dbraw/zinc/27/14/64/833271464.db2.gz FJGZLRUZCZUTJP-ZDUSSCGKSA-N 2 0 311.430 -0.158 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626875 833276666 /nfs/dbraw/zinc/27/66/66/833276666.db2.gz LIZCLIXSORBKEW-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677776 833277605 /nfs/dbraw/zinc/27/76/05/833277605.db2.gz MWFXIAKJIGLPBM-KGLIPLIRSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CCCCC1 ZINC001115708070 828861217 /nfs/dbraw/zinc/86/12/17/828861217.db2.gz MBLINRNOGFKXRL-UHFFFAOYSA-N 2 0 323.441 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161594 833367023 /nfs/dbraw/zinc/36/70/23/833367023.db2.gz OXZLPSOMFLCTFV-LSDHHAIUSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161593 833367041 /nfs/dbraw/zinc/36/70/41/833367041.db2.gz OXZLPSOMFLCTFV-HUUCEWRRSA-N 2 0 322.453 -0.048 20 30 DBEDRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171161525 833367085 /nfs/dbraw/zinc/36/70/85/833367085.db2.gz NUPPQXNMOKWALH-UONOGXRCSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161590 833367110 /nfs/dbraw/zinc/36/71/10/833367110.db2.gz OXZLPSOMFLCTFV-CABCVRRESA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226669 833367878 /nfs/dbraw/zinc/36/78/78/833367878.db2.gz JCHDTTJAONNQQP-KGLIPLIRSA-N 2 0 308.426 -0.438 20 30 DBEDRP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+](C)C ZINC001175056742 833386927 /nfs/dbraw/zinc/38/69/27/833386927.db2.gz PDCMRMBSMAQEFZ-CYBMUJFWSA-N 2 0 311.430 -0.158 20 30 DBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001176057059 833399542 /nfs/dbraw/zinc/39/95/42/833399542.db2.gz MLZDNGBJGBTTPI-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176844948 833424824 /nfs/dbraw/zinc/42/48/24/833424824.db2.gz PAYARRVCHHPXCY-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001176925951 833436385 /nfs/dbraw/zinc/43/63/85/833436385.db2.gz FAOMMERMLSOOMY-CQSZACIVSA-N 2 0 308.426 -0.309 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256643 829995826 /nfs/dbraw/zinc/99/58/26/829995826.db2.gz QGQOSMTUIISXFX-QWHCGFSZSA-N 2 0 307.398 -0.794 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256639 829996257 /nfs/dbraw/zinc/99/62/57/829996257.db2.gz QGQOSMTUIISXFX-CHWSQXEVSA-N 2 0 307.398 -0.794 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466665 830013634 /nfs/dbraw/zinc/01/36/34/830013634.db2.gz ZCEFPGMJRWOWEQ-JSGCOSHPSA-N 2 0 308.426 -0.275 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128787310 830129763 /nfs/dbraw/zinc/12/97/63/830129763.db2.gz ZFBQHJZVPSESDC-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129042940 830149896 /nfs/dbraw/zinc/14/98/96/830149896.db2.gz DVNPCCIRKISTLV-KGLIPLIRSA-N 2 0 316.409 -0.263 20 30 DBEDRP C#CCN1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129043089 830150462 /nfs/dbraw/zinc/15/04/62/830150462.db2.gz GPCJBQKLAMQXSE-QLFBSQMISA-N 2 0 316.409 -0.407 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129327786 830172426 /nfs/dbraw/zinc/17/24/26/830172426.db2.gz IXOZGENPXUOETA-AWEZNQCLSA-N 2 0 308.426 -0.581 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)C1=O ZINC001129531967 830187327 /nfs/dbraw/zinc/18/73/27/830187327.db2.gz ODEMAUQIRFRZAO-AWEZNQCLSA-N 2 0 308.426 -0.037 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686095 830201541 /nfs/dbraw/zinc/20/15/41/830201541.db2.gz WSAQCTSYUDFEEU-ILXRZTDVSA-N 2 0 316.409 -0.263 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985065 830240291 /nfs/dbraw/zinc/24/02/91/830240291.db2.gz NTONXZNSOJUOGS-KGLIPLIRSA-N 2 0 304.398 -0.405 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075293 830259329 /nfs/dbraw/zinc/25/93/29/830259329.db2.gz QFTBYJXXYIGANN-CABCVRRESA-N 2 0 318.425 -0.015 20 30 DBEDRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130614767 830349557 /nfs/dbraw/zinc/34/95/57/830349557.db2.gz CXRNUQWZSHMCGY-UHFFFAOYSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131375074 830464176 /nfs/dbraw/zinc/46/41/76/830464176.db2.gz QKEIKHZOOIHWPI-GFCCVEGCSA-N 2 0 313.361 -0.208 20 30 DBEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692783 830509863 /nfs/dbraw/zinc/50/98/63/830509863.db2.gz KQYZZPNSDLSMQA-WBVHZDCISA-N 2 0 323.437 -0.110 20 30 DBEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692780 830509941 /nfs/dbraw/zinc/50/99/41/830509941.db2.gz KQYZZPNSDLSMQA-DOTOQJQBSA-N 2 0 323.437 -0.110 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132739570 830688440 /nfs/dbraw/zinc/68/84/40/830688440.db2.gz SFSCLANGWOQEQY-GJZGRUSLSA-N 2 0 322.453 -0.048 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001132738031 830688595 /nfs/dbraw/zinc/68/85/95/830688595.db2.gz UFVJPEJLDASWBW-CYBMUJFWSA-N 2 0 309.414 -0.546 20 30 DBEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133091604 830740492 /nfs/dbraw/zinc/74/04/92/830740492.db2.gz SQFUSXODRSQXCO-UONOGXRCSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090195 830740612 /nfs/dbraw/zinc/74/06/12/830740612.db2.gz DHVOFQJEJAGQMB-CABCVRRESA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690920 830810746 /nfs/dbraw/zinc/81/07/46/830810746.db2.gz WZTDHOUVFACMRR-UONOGXRCSA-N 2 0 310.442 -0.050 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093142 831011000 /nfs/dbraw/zinc/01/10/00/831011000.db2.gz ITYIUGGQCGIYBG-QWHCGFSZSA-N 2 0 307.398 -0.651 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095653 831011037 /nfs/dbraw/zinc/01/10/37/831011037.db2.gz MYEUARJKBYBGLE-KBPBESRZSA-N 2 0 306.410 -0.542 20 30 DBEDRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001183266860 833711337 /nfs/dbraw/zinc/71/13/37/833711337.db2.gz HBLPAYPEJOTCKK-OCCSQVGLSA-N 2 0 307.398 -0.843 20 30 DBEDRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001183436222 833716745 /nfs/dbraw/zinc/71/67/45/833716745.db2.gz LKXBXUXDOZDERV-OCCSQVGLSA-N 2 0 309.414 -0.597 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135705859 831111040 /nfs/dbraw/zinc/11/10/40/831111040.db2.gz KHQSQQJYBBHVLZ-KBPBESRZSA-N 2 0 310.442 -0.050 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135709739 831112257 /nfs/dbraw/zinc/11/22/57/831112257.db2.gz APOIVLMLYKEPQG-CQSZACIVSA-N 2 0 308.426 -0.438 20 30 DBEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135742932 831114833 /nfs/dbraw/zinc/11/48/33/831114833.db2.gz BAMBWXRSXYGWHC-OLZOCXBDSA-N 2 0 311.430 -0.159 20 30 DBEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135742934 831114852 /nfs/dbraw/zinc/11/48/52/831114852.db2.gz BAMBWXRSXYGWHC-STQMWFEESA-N 2 0 311.430 -0.159 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2nccn2C)C1 ZINC001184492269 833761047 /nfs/dbraw/zinc/76/10/47/833761047.db2.gz PHEUPWKLKFLPTA-CYBMUJFWSA-N 2 0 319.409 -0.155 20 30 DBEDRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001185400817 833794668 /nfs/dbraw/zinc/79/46/68/833794668.db2.gz KEPKPQSGBMAHNG-CYBMUJFWSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O)CC1 ZINC001146585473 831285291 /nfs/dbraw/zinc/28/52/91/831285291.db2.gz YFUGMYPRQLGUTH-OLZOCXBDSA-N 2 0 308.426 -0.310 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185071958 833779549 /nfs/dbraw/zinc/77/95/49/833779549.db2.gz CDDGWFZQOYTSKV-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185214158 833783265 /nfs/dbraw/zinc/78/32/65/833783265.db2.gz ORGYCACVIQUXOM-ZIAGYGMSSA-N 2 0 320.437 -0.343 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001147885294 831414607 /nfs/dbraw/zinc/41/46/07/831414607.db2.gz LNNNDEWVRRCTRW-KBPBESRZSA-N 2 0 308.426 -0.179 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049803 831660581 /nfs/dbraw/zinc/66/05/81/831660581.db2.gz ZIQOAIASXXFGJM-CYBMUJFWSA-N 2 0 309.414 -0.594 20 30 DBEDRP N#Cc1c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ncc2c1CCC[NH2+]C2 ZINC001155571184 831939971 /nfs/dbraw/zinc/93/99/71/831939971.db2.gz RXHVFSAZNWXFMG-XJKSGUPXSA-N 2 0 312.377 -0.021 20 30 DBEDRP N#Cc1c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ncc2c1CCC[NH2+]C2 ZINC001155571176 831940101 /nfs/dbraw/zinc/94/01/01/831940101.db2.gz RXHVFSAZNWXFMG-BBRMVZONSA-N 2 0 312.377 -0.021 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157886526 832070287 /nfs/dbraw/zinc/07/02/87/832070287.db2.gz IMHWNOWHMBCCIP-CYBMUJFWSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887417 832070622 /nfs/dbraw/zinc/07/06/22/832070622.db2.gz VHAQWEUAGKQOQW-CQSZACIVSA-N 2 0 308.426 -0.296 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039752 832085214 /nfs/dbraw/zinc/08/52/14/832085214.db2.gz UBVZBRAYQONALR-ZIAGYGMSSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158039271 832085668 /nfs/dbraw/zinc/08/56/68/832085668.db2.gz RWSTZUOQJPCCNY-HUUCEWRRSA-N 2 0 320.437 -0.294 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167917 832095135 /nfs/dbraw/zinc/09/51/35/832095135.db2.gz OUNYLOKOIVVWRX-OWCLPIDISA-N 2 0 314.389 -0.125 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197190 832098461 /nfs/dbraw/zinc/09/84/61/832098461.db2.gz SGIXJUJATKHNCV-CQSZACIVSA-N 2 0 306.410 -0.827 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380095 832108019 /nfs/dbraw/zinc/10/80/19/832108019.db2.gz MFENCUCVYXAPKF-MGPQQGTHSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158403350 832108703 /nfs/dbraw/zinc/10/87/03/832108703.db2.gz GCJXAXQXNJZINI-UONOGXRCSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185659568 833804601 /nfs/dbraw/zinc/80/46/01/833804601.db2.gz KPNQURNKGFOIAV-ZIAGYGMSSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185668649 833805396 /nfs/dbraw/zinc/80/53/96/833805396.db2.gz GQFIDKMHJFMRBC-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185668650 833805917 /nfs/dbraw/zinc/80/59/17/833805917.db2.gz GQFIDKMHJFMRBC-ZIAGYGMSSA-N 2 0 308.426 -0.179 20 30 DBEDRP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001269245481 832396726 /nfs/dbraw/zinc/39/67/26/832396726.db2.gz ILXWNZKDCWVTMS-CYBMUJFWSA-N 2 0 321.425 -0.357 20 30 DBEDRP C#CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269296312 832409881 /nfs/dbraw/zinc/40/98/81/832409881.db2.gz LSMGGRSNPWAZFS-KGLIPLIRSA-N 2 0 306.410 -0.780 20 30 DBEDRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492864 832442197 /nfs/dbraw/zinc/44/21/97/832442197.db2.gz PYEODBYCIFGVHX-OLZOCXBDSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CCO)C2)CC1 ZINC001276819460 833900929 /nfs/dbraw/zinc/90/09/29/833900929.db2.gz FPSZDFHQJCVAFB-GOEBONIOSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271093746 832618315 /nfs/dbraw/zinc/61/83/15/832618315.db2.gz RNKDEOCWVUPPHE-CYBMUJFWSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001271093584 832618687 /nfs/dbraw/zinc/61/86/87/832618687.db2.gz QCQZVOQSHOMLPS-GFCCVEGCSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCOC)C2)CC1 ZINC001271229027 832643217 /nfs/dbraw/zinc/64/32/17/832643217.db2.gz QWPUPJHVZSUFKN-KRWDZBQOSA-N 2 0 323.437 -0.469 20 30 DBEDRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001271873575 832712214 /nfs/dbraw/zinc/71/22/14/832712214.db2.gz JDEMWJBNIFLAGA-OKILXGFUSA-N 2 0 321.425 -0.642 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001271922376 832715640 /nfs/dbraw/zinc/71/56/40/832715640.db2.gz GUWUWDZAMQTQHF-AWEZNQCLSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159328641 832805506 /nfs/dbraw/zinc/80/55/06/832805506.db2.gz VABCAKZDYHDTMX-CQSZACIVSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001159634740 832828696 /nfs/dbraw/zinc/82/86/96/832828696.db2.gz CSRMIKSIMOMVMD-FMKPAKJESA-N 2 0 309.410 -0.467 20 30 DBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272865546 832844977 /nfs/dbraw/zinc/84/49/77/832844977.db2.gz MFPAOTRDBJJTFE-STQMWFEESA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861849 832852770 /nfs/dbraw/zinc/85/27/70/832852770.db2.gz SFNGLKBRQXHDGK-ZDUSSCGKSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159901433 832856389 /nfs/dbraw/zinc/85/63/89/832856389.db2.gz HIICFQUOWDDCRO-CQSZACIVSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003553 832864919 /nfs/dbraw/zinc/86/49/19/832864919.db2.gz URARYCUFVBVDNE-CYBMUJFWSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001273147705 832886381 /nfs/dbraw/zinc/88/63/81/832886381.db2.gz UOPTUINGNKQSSP-UHFFFAOYSA-N 2 0 320.437 -0.294 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160268072 832889371 /nfs/dbraw/zinc/88/93/71/832889371.db2.gz VHQWKRWTFIPJEO-CYBMUJFWSA-N 2 0 309.414 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160274429 832890030 /nfs/dbraw/zinc/89/00/30/832890030.db2.gz SFYAIJCESBNWHH-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791849 832943640 /nfs/dbraw/zinc/94/36/40/832943640.db2.gz FTFFGIOWWCBYTE-CRQFQMBKSA-N 2 0 305.378 -0.806 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160867936 832955490 /nfs/dbraw/zinc/95/54/90/832955490.db2.gz IZYXYKMZYNNOLR-GJZGRUSLSA-N 2 0 320.437 -0.151 20 30 DBEDRP CN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161064323 832971089 /nfs/dbraw/zinc/97/10/89/832971089.db2.gz PIBVMLWRKZGSQU-WISYIIOYSA-N 2 0 319.427 -0.579 20 30 DBEDRP C=C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881705 832978662 /nfs/dbraw/zinc/97/86/62/832978662.db2.gz QBPRCHSYYAFUIU-CJNGLKHVSA-N 2 0 309.410 -0.064 20 30 DBEDRP C=C[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273882506 832979312 /nfs/dbraw/zinc/97/93/12/832979312.db2.gz ZQOHYOLUOWOHSI-ZBFHGGJFSA-N 2 0 311.426 -0.354 20 30 DBEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C)[NH+](C)C ZINC001179549895 833550753 /nfs/dbraw/zinc/55/07/53/833550753.db2.gz LMKFSWNPNUKNSR-AVGNSLFASA-N 2 0 309.414 -0.455 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180136093 833570357 /nfs/dbraw/zinc/57/03/57/833570357.db2.gz PXWWTOAXYZBQIT-KBPBESRZSA-N 2 0 308.426 -0.037 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676161 833686340 /nfs/dbraw/zinc/68/63/40/833686340.db2.gz CKBXXWORCYJXOY-MGPQQGTHSA-N 2 0 308.426 -0.181 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264801 833787946 /nfs/dbraw/zinc/78/79/46/833787946.db2.gz GZELGWNLAAMXEH-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187092198 833900684 /nfs/dbraw/zinc/90/06/84/833900684.db2.gz QVSUPGCTZOJIPN-CHWSQXEVSA-N 2 0 317.393 -0.709 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](O)COC)CC1 ZINC001276977386 833917058 /nfs/dbraw/zinc/91/70/58/833917058.db2.gz HUVXSIIKWHLLOZ-HZPDHXFCSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@H](O)COC)CC1 ZINC001276977384 833917245 /nfs/dbraw/zinc/91/72/45/833917245.db2.gz HUVXSIIKWHLLOZ-CVEARBPZSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001277151998 833929130 /nfs/dbraw/zinc/92/91/30/833929130.db2.gz WWFBKVHVDOYOKE-KBPBESRZSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001277356241 833948555 /nfs/dbraw/zinc/94/85/55/833948555.db2.gz QUVCZSVUGCQKBL-OLZOCXBDSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001188092238 833964923 /nfs/dbraw/zinc/96/49/23/833964923.db2.gz RZTWFGAFAIFJSH-MRXNPFEDSA-N 2 0 323.437 -0.469 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)CC1 ZINC001188090622 833965007 /nfs/dbraw/zinc/96/50/07/833965007.db2.gz GSGFUUNTLFMQCF-CQSZACIVSA-N 2 0 306.410 -0.732 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106568 833966401 /nfs/dbraw/zinc/96/64/01/833966401.db2.gz NAQOJAGTEUKUMK-OAHLLOKOSA-N 2 0 320.437 -0.198 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001277785884 833991522 /nfs/dbraw/zinc/99/15/22/833991522.db2.gz PQHBERVOSPQTOL-LSDHHAIUSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277883561 834001557 /nfs/dbraw/zinc/00/15/57/834001557.db2.gz KJOWIATXTPEZQO-UONOGXRCSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001277906963 834004709 /nfs/dbraw/zinc/00/47/09/834004709.db2.gz GYWZFMTZXOILHZ-OLZOCXBDSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046280 834322692 /nfs/dbraw/zinc/32/26/92/834322692.db2.gz MGUAHGQPJJWJIG-GJZGRUSLSA-N 2 0 322.453 -0.001 20 30 DBEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238677935 834363573 /nfs/dbraw/zinc/36/35/73/834363573.db2.gz SXJAIYHZASLJEI-RYUDHWBXSA-N 2 0 319.427 -0.506 20 30 DBEDRP C=CCOC[C@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047771 834413192 /nfs/dbraw/zinc/41/31/92/834413192.db2.gz SZYVIOLQRYWBCG-GAGVYUBLSA-N 2 0 324.421 -0.120 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947765 834445596 /nfs/dbraw/zinc/44/55/96/834445596.db2.gz MQUNIZNPMLAARK-CABCVRRESA-N 2 0 322.453 -0.001 20 30 DBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193102433 834462003 /nfs/dbraw/zinc/46/20/03/834462003.db2.gz JMAHMFCZKNFUNS-KBUPBQIOSA-N 2 0 311.426 -0.310 20 30 DBEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001251900546 834513057 /nfs/dbraw/zinc/51/30/57/834513057.db2.gz UNMOAQPBWMZCAX-RBSFLKMASA-N 2 0 311.426 -0.424 20 30 DBEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320021 834855319 /nfs/dbraw/zinc/85/53/19/834855319.db2.gz SXBOWOIDHAISHI-HUUCEWRRSA-N 2 0 311.426 -0.165 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001263850326 834991189 /nfs/dbraw/zinc/99/11/89/834991189.db2.gz LUDDJJCGDLHNHL-MELADBBJSA-N 2 0 306.410 -0.828 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199826276 835060311 /nfs/dbraw/zinc/06/03/11/835060311.db2.gz IVSVMBYVEWFDIG-CYBMUJFWSA-N 2 0 307.398 -0.699 20 30 DBEDRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001200635593 835141618 /nfs/dbraw/zinc/14/16/18/835141618.db2.gz AMINDPOJVOQGSS-TZMCWYRMSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001265454104 835142847 /nfs/dbraw/zinc/14/28/47/835142847.db2.gz FBHIKCLHWOBCNM-KGLIPLIRSA-N 2 0 318.421 -0.589 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265558308 835153359 /nfs/dbraw/zinc/15/33/59/835153359.db2.gz UVUAEMSWDNBFGA-BARDWOONSA-N 2 0 320.437 -0.297 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265566943 835154176 /nfs/dbraw/zinc/15/41/76/835154176.db2.gz QCEMCPTWPDAQIA-FQUUOJAGSA-N 2 0 308.426 -0.299 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001201038025 835165246 /nfs/dbraw/zinc/16/52/46/835165246.db2.gz SENLBKGHTYGZJK-UHFFFAOYSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1)C1CC1 ZINC001201053526 835166185 /nfs/dbraw/zinc/16/61/85/835166185.db2.gz RPRHKEVCDPAFNM-OAHLLOKOSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001265784040 835172712 /nfs/dbraw/zinc/17/27/12/835172712.db2.gz UOTBKDKWONXHIM-CHWSQXEVSA-N 2 0 308.426 -0.297 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265982634 835213720 /nfs/dbraw/zinc/21/37/20/835213720.db2.gz ITWPTIOJZCOCLS-AWEZNQCLSA-N 2 0 320.437 -0.342 20 30 DBEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863190 835214968 /nfs/dbraw/zinc/21/49/68/835214968.db2.gz IYVDOIUFEZDQNT-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058604 835229182 /nfs/dbraw/zinc/22/91/82/835229182.db2.gz LLVWEOYNLTUQTJ-CVEARBPZSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331444 835245540 /nfs/dbraw/zinc/24/55/40/835245540.db2.gz RQXUGVMYRYDXFY-CYBMUJFWSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202496016 835252039 /nfs/dbraw/zinc/25/20/39/835252039.db2.gz MKLWQYJFINYPFU-CQSZACIVSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203347565 835293217 /nfs/dbraw/zinc/29/32/17/835293217.db2.gz AJHFFBANEMBQTG-STQMWFEESA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699350 835305512 /nfs/dbraw/zinc/30/55/12/835305512.db2.gz IQHAHSMDJBSETM-KBPBESRZSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001266718406 835367742 /nfs/dbraw/zinc/36/77/42/835367742.db2.gz OBBUQIULNYOSAX-CQSZACIVSA-N 2 0 308.426 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266725435 835369695 /nfs/dbraw/zinc/36/96/95/835369695.db2.gz HRHNCNOBISAMEW-MELADBBJSA-N 2 0 308.426 -0.297 20 30 DBEDRP CC[C@@H](C(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001266916155 835406062 /nfs/dbraw/zinc/40/60/62/835406062.db2.gz SRAOHNLMHZQUDO-RUXDESIVSA-N 2 0 323.441 -0.017 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001267154537 835452647 /nfs/dbraw/zinc/45/26/47/835452647.db2.gz GIDZISKNASJEAN-CHWSQXEVSA-N 2 0 308.426 -0.310 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001267969008 835614798 /nfs/dbraw/zinc/61/47/98/835614798.db2.gz DTSHOUCCVPRJDX-CQSZACIVSA-N 2 0 306.410 -0.588 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268081599 835629721 /nfs/dbraw/zinc/62/97/21/835629721.db2.gz QOWPFPRLFMXQAQ-ZNMIVQPWSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268081598 835629898 /nfs/dbraw/zinc/62/98/98/835629898.db2.gz QOWPFPRLFMXQAQ-KKUMJFAQSA-N 2 0 322.453 -0.097 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268098554 835631804 /nfs/dbraw/zinc/63/18/04/835631804.db2.gz UAJSGCXKQALFNB-UONOGXRCSA-N 2 0 323.441 -0.063 20 30 DBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268309352 835657108 /nfs/dbraw/zinc/65/71/08/835657108.db2.gz WQNATTMWVIVSJJ-ZDUSSCGKSA-N 2 0 307.398 -0.852 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268380136 835681844 /nfs/dbraw/zinc/68/18/44/835681844.db2.gz YEYUSYLCMFWAKE-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268668091 835771952 /nfs/dbraw/zinc/77/19/52/835771952.db2.gz JVMZHUFOOMVPRR-CYBMUJFWSA-N 2 0 323.441 -0.159 20 30 DBEDRP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268792913 835808443 /nfs/dbraw/zinc/80/84/43/835808443.db2.gz HBZMBFXROYHBPK-CQSZACIVSA-N 2 0 321.425 -0.594 20 30 DBEDRP COCC#CCN1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001268892479 835837303 /nfs/dbraw/zinc/83/73/03/835837303.db2.gz VLBKLEPIGRYCJV-UHFFFAOYSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001485693927 1013326761 /nfs/dbraw/zinc/32/67/61/1013326761.db2.gz RUZKQRBHTROALS-KKUMJFAQSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121786 1013686989 /nfs/dbraw/zinc/68/69/89/1013686989.db2.gz NHEWJGYPVUXJTG-KBPBESRZSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CCC[NH+](C)C ZINC001486121297 1013687294 /nfs/dbraw/zinc/68/72/94/1013687294.db2.gz JIAGEWCESUULDU-STQMWFEESA-N 2 0 309.414 -0.453 20 30 DBEDRP COCC#CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)CCOC ZINC001486430518 1013839699 /nfs/dbraw/zinc/83/96/99/1013839699.db2.gz CDNLDVCCZZCUGU-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001486483997 1013848094 /nfs/dbraw/zinc/84/80/94/1013848094.db2.gz ULKNUOWRFJBPEU-UHFFFAOYSA-N 2 0 309.414 -0.455 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070602 978314033 /nfs/dbraw/zinc/31/40/33/978314033.db2.gz NXVGUPUKLRSWSR-QLFBSQMISA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334136 978345594 /nfs/dbraw/zinc/34/55/94/978345594.db2.gz FZWVMBGGXJLMMO-GDBMZVCRSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001208335610 978347192 /nfs/dbraw/zinc/34/71/92/978347192.db2.gz WQJVLTJIURHPAO-DZGCQCFKSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334139 978347647 /nfs/dbraw/zinc/34/76/47/978347647.db2.gz FZWVMBGGXJLMMO-ZBFHGGJFSA-N 2 0 320.437 -0.343 20 30 DBEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001208411596 978361551 /nfs/dbraw/zinc/36/15/51/978361551.db2.gz YDEJDTDHIREFRD-CHWSQXEVSA-N 2 0 309.414 -0.453 20 30 DBEDRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001209483684 978455213 /nfs/dbraw/zinc/45/52/13/978455213.db2.gz AEPNTEWQKGSLPJ-DZGCQCFKSA-N 2 0 323.441 -0.207 20 30 DBEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001209670309 978471923 /nfs/dbraw/zinc/47/19/23/978471923.db2.gz YDEJDTDHIREFRD-OLZOCXBDSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209669364 978472258 /nfs/dbraw/zinc/47/22/58/978472258.db2.gz POBJEQIRRBNZRE-KGLIPLIRSA-N 2 0 308.426 -0.343 20 30 DBEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210217503 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FLTOWMOZMGNCBT-MGPQQGTHSA-N 2 0 321.425 -0.453 20 30 DBEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402343 978785467 /nfs/dbraw/zinc/78/54/67/978785467.db2.gz ZZFCAMMNYKGTHV-HUUCEWRRSA-N 2 0 311.426 -0.349 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383953 978786311 /nfs/dbraw/zinc/78/63/11/978786311.db2.gz SZLAKIJVJALLPL-RBSFLKMASA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216749922 978791359 /nfs/dbraw/zinc/79/13/59/978791359.db2.gz HCJAWGBTCIPWJP-HZSPNIEDSA-N 2 0 306.410 -0.876 20 30 DBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218638015 978839182 /nfs/dbraw/zinc/83/91/82/978839182.db2.gz VETKCJPOYUBRFL-GFCCVEGCSA-N 2 0 324.348 -0.262 20 30 DBEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C#C)n1 ZINC001218657736 978842507 /nfs/dbraw/zinc/84/25/07/978842507.db2.gz RKZGAUPFFOUNNI-ZDUSSCGKSA-N 2 0 312.377 -0.872 20 30 DBEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219349719 978920108 /nfs/dbraw/zinc/92/01/08/978920108.db2.gz WBVWEOAHYSJXGA-NEPJUHHUSA-N 2 0 313.379 -0.210 20 30 DBEDRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C1 ZINC001219651881 978988443 /nfs/dbraw/zinc/98/84/43/978988443.db2.gz YRYSQHKESXPVPK-QCNOEVLYSA-N 2 0 319.427 -0.945 20 30 DBEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC001219714001 978998973 /nfs/dbraw/zinc/99/89/73/978998973.db2.gz CRIWKFRTBHOUEP-MSQAHXEGSA-N 2 0 314.389 -0.472 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813073 979023050 /nfs/dbraw/zinc/02/30/50/979023050.db2.gz NHEFJATUSCKBEY-ZOBUZTSGSA-N 2 0 314.389 -0.220 20 30 DBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813789 979024566 /nfs/dbraw/zinc/02/45/66/979024566.db2.gz FJFZOZSYUFZGEU-CABCVRRESA-N 2 0 311.426 -0.165 20 30 DBEDRP 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ZINC001398524072 999286404 /nfs/dbraw/zinc/28/64/04/999286404.db2.gz IDNBELMNEZWHJS-AWEZNQCLSA-N 2 0 323.441 -0.109 20 30 DBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001422396734 1000858572 /nfs/dbraw/zinc/85/85/72/1000858572.db2.gz QRTDBDUYFWMIOH-LBPRGKRZSA-N 2 0 319.833 -0.084 20 30 DBEDRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001495729311 1016708363 /nfs/dbraw/zinc/70/83/63/1016708363.db2.gz HJTBKEZKWAQNJE-IHRRRGAJSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001496239046 1016873510 /nfs/dbraw/zinc/87/35/10/1016873510.db2.gz PEPOHJKICAICJK-KGLIPLIRSA-N 2 0 322.453 -0.097 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001419715403 1004951935 /nfs/dbraw/zinc/95/19/35/1004951935.db2.gz UFAHTGIKMPNGPA-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626736 1016974914 /nfs/dbraw/zinc/97/49/14/1016974914.db2.gz HRCVVMMYUQOYCS-UONOGXRCSA-N 2 0 323.441 -0.302 20 30 DBEDRP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626729 1016975974 /nfs/dbraw/zinc/97/59/74/1016975974.db2.gz HRCVVMMYUQOYCS-KBPBESRZSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC(=O)NC)C(C)C)CC1 ZINC001496639149 1016978131 /nfs/dbraw/zinc/97/81/31/1016978131.db2.gz KIQQFCCKABSWPO-HNNXBMFYSA-N 2 0 322.453 -0.192 20 30 DBEDRP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001479607995 1010309823 /nfs/dbraw/zinc/30/98/23/1010309823.db2.gz CVCFHKCNJIOCBD-UHFFFAOYSA-N 2 0 315.377 -0.383 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521625 1010677991 /nfs/dbraw/zinc/67/79/91/1010677991.db2.gz KOTDJEMLWJOEIG-UONOGXRCSA-N 2 0 323.441 -0.158 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001480616229 1010719860 /nfs/dbraw/zinc/71/98/60/1010719860.db2.gz HWBHFMUTPRPMGN-UONOGXRCSA-N 2 0 306.410 -0.589 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC)CC1 ZINC001480814528 1010765775 /nfs/dbraw/zinc/76/57/75/1010765775.db2.gz ZOTCNSGKKSZZQE-CYBMUJFWSA-N 2 0 308.426 -0.438 20 30 DBEDRP COCC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001481719580 1010978882 /nfs/dbraw/zinc/97/88/82/1010978882.db2.gz IEHQTFZIHKZWLY-HUUCEWRRSA-N 2 0 309.410 -0.501 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482100187 1011052177 /nfs/dbraw/zinc/05/21/77/1011052177.db2.gz BCBJPZIALRNLKH-CABCVRRESA-N 2 0 322.453 -0.050 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482116924 1011058086 /nfs/dbraw/zinc/05/80/86/1011058086.db2.gz KXCUADNEKRGLES-AWEZNQCLSA-N 2 0 320.437 -0.294 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001482289253 1011108356 /nfs/dbraw/zinc/10/83/56/1011108356.db2.gz RRINGOMJJBEMJU-HZSPNIEDSA-N 2 0 323.441 -0.207 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365236 1011131174 /nfs/dbraw/zinc/13/11/74/1011131174.db2.gz SZOGQDYAAYVMIS-KGLIPLIRSA-N 2 0 308.426 -0.343 20 30 DBEDRP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482391459 1011138928 /nfs/dbraw/zinc/13/89/28/1011138928.db2.gz SMGFSXSJNPOPCI-UONOGXRCSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001482684838 1011264524 /nfs/dbraw/zinc/26/45/24/1011264524.db2.gz DACGMRZGBVPWKV-KBPBESRZSA-N 2 0 308.426 -0.438 20 30 DBEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482773920 1011429942 /nfs/dbraw/zinc/42/99/42/1011429942.db2.gz GRSRYVVLNTWWRS-OAHLLOKOSA-N 2 0 311.426 -0.565 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001482990858 1011576413 /nfs/dbraw/zinc/57/64/13/1011576413.db2.gz IQNLTMKUQZOLEZ-MEWZEZIVSA-N 2 0 306.410 -0.520 20 30 DBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483081597 1011672619 /nfs/dbraw/zinc/67/26/19/1011672619.db2.gz APLZXEMLERIERF-ISZGNANSSA-N 2 0 306.410 -0.660 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001483794943 1012147966 /nfs/dbraw/zinc/14/79/66/1012147966.db2.gz NGKDZXBIUVTDSW-ZDUSSCGKSA-N 2 0 308.426 -0.297 20 30 DBEDRP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001483913855 1012205413 /nfs/dbraw/zinc/20/54/13/1012205413.db2.gz KHIRHXXOJYJFQG-ZIAGYGMSSA-N 2 0 321.425 -0.309 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001484253622 1012463082 /nfs/dbraw/zinc/46/30/82/1012463082.db2.gz YVLZOEINYKOLHM-WMLDXEAASA-N 2 0 323.437 -0.735 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+]CCO)CCOCC2)CC1 ZINC001484872068 1012884200 /nfs/dbraw/zinc/88/42/00/1012884200.db2.gz QWBKVTDAYWDDRB-UHFFFAOYSA-N 2 0 323.437 -0.421 20 30 DBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001497261645 1017326395 /nfs/dbraw/zinc/32/63/95/1017326395.db2.gz FBURUESOUHWHHS-GFCCVEGCSA-N 2 0 309.414 -0.548 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497613137 1017443545 /nfs/dbraw/zinc/44/35/45/1017443545.db2.gz XXZHNZGTUCRBNC-DHCBQETCSA-N 2 0 307.398 -0.628 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497613138 1017444023 /nfs/dbraw/zinc/44/40/23/1017444023.db2.gz XXZHNZGTUCRBNC-ITDFMYJTSA-N 2 0 307.398 -0.628 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497888893 1017539356 /nfs/dbraw/zinc/53/93/56/1017539356.db2.gz AKRDNGFIRZDCEI-QPSCCSFWSA-N 2 0 322.453 -0.051 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160776 1017655516 /nfs/dbraw/zinc/65/55/16/1017655516.db2.gz OXQWAJACCGYEAZ-STQMWFEESA-N 2 0 306.410 -0.686 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001499882220 1018199110 /nfs/dbraw/zinc/19/91/10/1018199110.db2.gz IKTBCXMKGVEXER-OLZOCXBDSA-N 2 0 307.398 -0.699 20 30 DBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500721854 1018426531 /nfs/dbraw/zinc/42/65/31/1018426531.db2.gz HCNDWPWUSHNPBN-QGZVFWFLSA-N 2 0 323.437 -0.469 20 30 DBEDRP CN1CCO[C@@H](C(=O)NCC[NH+]2CCC(NCC#N)CC2)C1 ZINC001501251899 1018611307 /nfs/dbraw/zinc/61/13/07/1018611307.db2.gz XXJCXRNDDGLTLK-CQSZACIVSA-N 2 0 309.414 -0.989 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001501619559 1018842566 /nfs/dbraw/zinc/84/25/66/1018842566.db2.gz UZYLRXUGKURQAU-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001502760205 1019167907 /nfs/dbraw/zinc/16/79/07/1019167907.db2.gz TVWINWYIOSWGCB-KBPBESRZSA-N 2 0 306.410 -0.732 20 30 DBEDRP CC1([NH2+]CC(=O)NCC#N)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001502809742 1019182599 /nfs/dbraw/zinc/18/25/99/1019182599.db2.gz MLFVAUCLBJVFKP-UHFFFAOYSA-N 2 0 321.425 -0.307 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001503445949 1019245574 /nfs/dbraw/zinc/24/55/74/1019245574.db2.gz QAJOWFZMXYEFPD-KKUMJFAQSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001503473325 1019246731 /nfs/dbraw/zinc/24/67/31/1019246731.db2.gz OMOQRFJMIVNHIP-STQMWFEESA-N 2 0 309.414 -0.548 20 30 DBEDRP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001506936071 1020006815 /nfs/dbraw/zinc/00/68/15/1020006815.db2.gz HROSTYUJVRHNJN-ZDUSSCGKSA-N 2 0 323.441 -0.158 20 30 DBEDRP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NCC#N ZINC001507071468 1020071163 /nfs/dbraw/zinc/07/11/63/1020071163.db2.gz AJTJLVYREFWRHT-TZMCWYRMSA-N 2 0 321.425 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001507343289 1020296103 /nfs/dbraw/zinc/29/61/03/1020296103.db2.gz XLRBKASOLPBCNS-KBPBESRZSA-N 2 0 308.426 -0.345 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001507451531 1020330570 /nfs/dbraw/zinc/33/05/70/1020330570.db2.gz UCJVVVYJWOYVBF-CYBMUJFWSA-N 2 0 323.441 -0.205 20 30 DBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001507561569 1020424379 /nfs/dbraw/zinc/42/43/79/1020424379.db2.gz HDJJNDFWBUJURR-CABCVRRESA-N 2 0 311.426 -0.613 20 30 DBEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001507564207 1020427913 /nfs/dbraw/zinc/42/79/13/1020427913.db2.gz YQAIHQZIWONZBZ-CABCVRRESA-N 2 0 313.442 -0.060 20 30 DBEDRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001565496645 1024056456 /nfs/dbraw/zinc/05/64/56/1024056456.db2.gz NFDHLTKZACVKBO-HNNXBMFYSA-N 2 0 309.458 -0.123 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001565845130 1024080552 /nfs/dbraw/zinc/08/05/52/1024080552.db2.gz BQKSADKEVAHLDW-LZWOXQAQSA-N 2 0 322.453 -0.194 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001566766110 1024362493 /nfs/dbraw/zinc/36/24/93/1024362493.db2.gz VNCYNZRRULSKKR-MELADBBJSA-N 2 0 321.425 -0.453 20 30 DBEDRP 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ZINC001571434809 1026000265 /nfs/dbraw/zinc/00/02/65/1026000265.db2.gz POLJPTLRLAJTSN-CYBMUJFWSA-N 2 0 313.361 -0.029 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001571664468 1026137422 /nfs/dbraw/zinc/13/74/22/1026137422.db2.gz JBXFIDRIXOGTGC-XUJLQICISA-N 2 0 322.453 -0.099 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571658137 1026138218 /nfs/dbraw/zinc/13/82/18/1026138218.db2.gz KZSRQQLEYKONBR-UHFFFAOYSA-N 2 0 320.437 -0.201 20 30 DBEDRP COCCNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000264056146 237224558 /nfs/dbraw/zinc/22/45/58/237224558.db2.gz ATTHRJNCUBJIJY-UHFFFAOYSA-N 2 0 306.414 -0.116 20 30 DBEDRP CNC(=O)[C@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000284255291 335010907 /nfs/dbraw/zinc/01/09/07/335010907.db2.gz WMZJQMHBKLJBQG-OKILXGFUSA-N 2 0 310.442 -0.382 20 30 DBEDRP COC(=O)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000283935848 335008736 /nfs/dbraw/zinc/00/87/36/335008736.db2.gz CUSJNIAVXGUUNO-KBPBESRZSA-N 2 0 308.378 -0.020 20 30 DBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000588731027 374763715 /nfs/dbraw/zinc/76/37/15/374763715.db2.gz LZWCHBALWCGEKQ-UHFFFAOYSA-N 2 0 322.417 -0.715 20 30 DBEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262303891 381625022 /nfs/dbraw/zinc/62/50/22/381625022.db2.gz OWNWLUNZCNINIV-UONOGXRCSA-N 2 0 308.426 -0.131 20 30 DBEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262303877 381625926 /nfs/dbraw/zinc/62/59/26/381625926.db2.gz OWNWLUNZCNINIV-KBPBESRZSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)CC1 ZINC000491497337 393816650 /nfs/dbraw/zinc/81/66/50/393816650.db2.gz XGCGHUJGDVNDDX-KRWDZBQOSA-N 2 0 305.422 -0.096 20 30 DBEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000491651651 393822194 /nfs/dbraw/zinc/82/21/94/393822194.db2.gz IAECUVDVTWGCFE-OAHLLOKOSA-N 2 0 307.442 -0.369 20 30 DBEDRP C=CC[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]1 ZINC000662404921 412182318 /nfs/dbraw/zinc/18/23/18/412182318.db2.gz RVYRKVBXWXDQNT-CZUORRHYSA-N 2 0 308.426 -0.002 20 30 DBEDRP CC[C@H](C(=O)NCC#CCNC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000681340333 544970915 /nfs/dbraw/zinc/97/09/15/544970915.db2.gz GKBVULDYJJYEIN-ZIAGYGMSSA-N 2 0 310.442 -0.097 20 30 DBEDRP CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554534049 332233074 /nfs/dbraw/zinc/23/30/74/332233074.db2.gz BUNSFWBDFDITOB-UHFFFAOYSA-N 2 0 319.475 -0.108 20 30 DBEDRP C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)CN1CC[NH+](C)CC1 ZINC000520798435 337515648 /nfs/dbraw/zinc/51/56/48/337515648.db2.gz VXKBYIFZYKUGAL-CVEARBPZSA-N 2 0 311.474 -0.334 20 30 DBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665898 338110821 /nfs/dbraw/zinc/11/08/21/338110821.db2.gz NOCJEMGFUOHFMS-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000554661848 341460601 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HUQRWCXQMSOALC-RWMBFGLXSA-N 2 0 309.414 -0.550 20 30 DBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261913853 671042467 /nfs/dbraw/zinc/04/24/67/671042467.db2.gz HVKONJDFIJOJRY-MRXNPFEDSA-N 3 0 320.485 -0.222 20 30 DBEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000928655478 671457165 /nfs/dbraw/zinc/45/71/65/671457165.db2.gz RNRINLJLZNLLBX-AWEZNQCLSA-N 2 0 320.437 -0.390 20 30 DBEDRP C[NH+]=C(NCC[NH+]1CCCCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262757792 671572531 /nfs/dbraw/zinc/57/25/31/671572531.db2.gz CAEAHTYSKFOVJB-OAHLLOKOSA-N 3 0 308.474 -0.363 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001030019191 671855023 /nfs/dbraw/zinc/85/50/23/671855023.db2.gz HZRAYNDTZVZULR-RDBSUJKOSA-N 2 0 306.410 -0.462 20 30 DBEDRP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000043363 678793300 /nfs/dbraw/zinc/79/33/00/678793300.db2.gz KEPKOCAILVZARE-ZFWWWQNUSA-N 2 0 316.409 -0.274 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001000991110 678890666 /nfs/dbraw/zinc/89/06/66/678890666.db2.gz GHWOAZDDGJBJAU-UKRRQHHQSA-N 2 0 320.437 -0.214 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845221119 805692172 /nfs/dbraw/zinc/69/21/72/805692172.db2.gz QAHTVWJZHIRFMB-UHFFFAOYSA-N 2 0 323.441 -0.643 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001298863199 805839555 /nfs/dbraw/zinc/83/95/55/805839555.db2.gz KGQGPMVJJGWGOK-AWEZNQCLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C[NH+]=C(NCCNc1cc[nH+]cc1)NCCN1CCOCC1 ZINC000848995374 805854129 /nfs/dbraw/zinc/85/41/29/805854129.db2.gz OUQMATWSUCBPQH-UHFFFAOYSA-N 2 0 306.414 -0.587 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316658684 805974616 /nfs/dbraw/zinc/97/46/16/805974616.db2.gz MHAAREWJXJURSN-RRFJBIMHSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001316637283 805972702 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C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275374 820439413 /nfs/dbraw/zinc/43/94/13/820439413.db2.gz IXUVUUPKUMYBMY-ZNMIVQPWSA-N 2 0 316.409 -0.405 20 30 DBEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070311254 820443838 /nfs/dbraw/zinc/44/38/38/820443838.db2.gz UWLCZHZUIGCYGC-KGLIPLIRSA-N 2 0 316.409 -0.099 20 30 DBEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014222 821968200 /nfs/dbraw/zinc/96/82/00/821968200.db2.gz JWZZAKWUHJRMJU-HUUCEWRRSA-N 2 0 321.425 -0.204 20 30 DBEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164427 824007720 /nfs/dbraw/zinc/00/77/20/824007720.db2.gz ASCGZGUGFIRWSU-RJZXRHAOSA-N 2 0 303.406 -0.081 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2OC)CC1 ZINC001082384337 824433868 /nfs/dbraw/zinc/43/38/68/824433868.db2.gz QIRXDXLZAZLCQT-FVQBIDKESA-N 2 0 323.437 -0.472 20 30 DBEDRP 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C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090271465 825617159 /nfs/dbraw/zinc/61/71/59/825617159.db2.gz IODIIQJPHLCALF-ZFWWWQNUSA-N 2 0 321.425 -0.204 20 30 DBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636041 825771105 /nfs/dbraw/zinc/77/11/05/825771105.db2.gz BXKHFLZFYRIZJN-HUUCEWRRSA-N 2 0 321.425 -0.204 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CC)C[C@@H]2O)CC1 ZINC001090830017 825863401 /nfs/dbraw/zinc/86/34/01/825863401.db2.gz HSMYYVQIDHXPRF-IRXDYDNUSA-N 2 0 317.433 -0.094 20 30 DBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H]([NH3+])C3(COC3)C2)c1 ZINC001161501144 833028716 /nfs/dbraw/zinc/02/87/16/833028716.db2.gz TXCUUBUDLMBDSI-KBPBESRZSA-N 2 0 300.362 -0.386 20 30 DBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001161488970 833026076 /nfs/dbraw/zinc/02/60/76/833026076.db2.gz PJOQEJWJGKGSGJ-MLGOLLRUSA-N 2 0 320.393 -0.509 20 30 DBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161491360 833026313 /nfs/dbraw/zinc/02/63/13/833026313.db2.gz CYQRTWVAGSZQIS-LBPRGKRZSA-N 2 0 308.382 -0.381 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274279174 833054647 /nfs/dbraw/zinc/05/46/47/833054647.db2.gz DRGIYXPHSYTVEG-LSDHHAIUSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001274279783 833054679 /nfs/dbraw/zinc/05/46/79/833054679.db2.gz IXCZPVHAFHFLLA-KBPBESRZSA-N 2 0 318.421 -0.732 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859949 833060140 /nfs/dbraw/zinc/06/01/40/833060140.db2.gz LAAIKSRXDKXWIE-UHFFFAOYSA-N 2 0 314.349 -0.316 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274367799 833068775 /nfs/dbraw/zinc/06/87/75/833068775.db2.gz GRLQQUMXPPKDIP-WHJWBVKISA-N 2 0 320.437 -0.272 20 30 DBEDRP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC1 ZINC001274464674 833081098 /nfs/dbraw/zinc/08/10/98/833081098.db2.gz PJDWNEXPQFBPON-IHWYPQMZSA-N 2 0 321.425 -0.380 20 30 DBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056520 826803532 /nfs/dbraw/zinc/80/35/32/826803532.db2.gz WACIGWDQRVPGEN-CABCVRRESA-N 2 0 311.426 -0.165 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O)CC1 ZINC001274610827 833109570 /nfs/dbraw/zinc/10/95/70/833109570.db2.gz QUTLFJJDCCSMKC-MUBLQREKSA-N 2 0 306.410 -0.533 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+][C@H](CC)C(N)=O)CC1 ZINC001274612469 833110021 /nfs/dbraw/zinc/11/00/21/833110021.db2.gz ZRLZFYAZAMOWQU-IYKSTZQJSA-N 2 0 320.437 -0.143 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100186039 826905670 /nfs/dbraw/zinc/90/56/70/826905670.db2.gz XJBLYCQTCKVRBH-BPCQOVAHSA-N 2 0 307.398 -0.795 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001274720186 833122889 /nfs/dbraw/zinc/12/28/89/833122889.db2.gz RJTHUEWCLFYBTF-MELADBBJSA-N 2 0 323.441 -0.159 20 30 DBEDRP COCC#CC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870147 827037803 /nfs/dbraw/zinc/03/78/03/827037803.db2.gz ACEQTGBZCIKCPU-UHFFFAOYSA-N 2 0 311.426 -0.301 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)NC)C2)CC1 ZINC001101025061 827063919 /nfs/dbraw/zinc/06/39/19/827063919.db2.gz UAKUWLDFQUNSDD-UHFFFAOYSA-N 2 0 320.437 -0.438 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC)CC1 ZINC001275039690 833148030 /nfs/dbraw/zinc/14/80/30/833148030.db2.gz WGTRBXLMMXWFNI-HIFRSBDPSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275219196 833160397 /nfs/dbraw/zinc/16/03/97/833160397.db2.gz MDWYEAFYGQMSQN-ZDUSSCGKSA-N 2 0 306.410 -0.542 20 30 DBEDRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102473744 827209208 /nfs/dbraw/zinc/20/92/08/827209208.db2.gz NHZGDBZCYKTIQQ-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578312 827226662 /nfs/dbraw/zinc/22/66/62/827226662.db2.gz VRDAEZCJSLAUPE-QLFBSQMISA-N 2 0 320.437 -0.628 20 30 DBEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579801 827229313 /nfs/dbraw/zinc/22/93/13/827229313.db2.gz QGVQSYFSZKYVRS-ZIAGYGMSSA-N 2 0 321.425 -0.594 20 30 DBEDRP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600891 827230823 /nfs/dbraw/zinc/23/08/23/827230823.db2.gz AKJIZGYAWOVUQU-HUUCEWRRSA-N 2 0 322.453 -0.240 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001163820205 833170663 /nfs/dbraw/zinc/17/06/63/833170663.db2.gz DPXUWQMPHXQRBM-ZDUSSCGKSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105191779 827402291 /nfs/dbraw/zinc/40/22/91/827402291.db2.gz FCJPATURYJYMAM-OAHLLOKOSA-N 2 0 316.409 -0.132 20 30 DBEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372687 827440703 /nfs/dbraw/zinc/44/07/03/827440703.db2.gz SHWFPHABHOOMDT-UHFFFAOYSA-N 2 0 316.409 -0.130 20 30 DBEDRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001164574255 833221607 /nfs/dbraw/zinc/22/16/07/833221607.db2.gz DVOQEYOZCJREIJ-STQMWFEESA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106308920 827649810 /nfs/dbraw/zinc/64/98/10/827649810.db2.gz HYQSGEJAEZKKDA-RBSFLKMASA-N 2 0 322.453 -0.240 20 30 DBEDRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)[NH+](C)C ZINC001106673155 827668300 /nfs/dbraw/zinc/66/83/00/827668300.db2.gz FPDNEEOTLYRORZ-MCIONIFRSA-N 2 0 323.441 -0.350 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779954 827677269 /nfs/dbraw/zinc/67/72/69/827677269.db2.gz ZMHLDGFFQQHGMX-HUUCEWRRSA-N 2 0 322.453 -0.238 20 30 DBEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106905864 827684823 /nfs/dbraw/zinc/68/48/23/827684823.db2.gz LBZMKPOPQQZRKN-ZIAGYGMSSA-N 2 0 323.441 -0.348 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001107038662 827695202 /nfs/dbraw/zinc/69/52/02/827695202.db2.gz CFFUBGUNCFCFPI-ZIAGYGMSSA-N 2 0 323.441 -0.350 20 30 DBEDRP C=CCOCCN1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001276100515 833245134 /nfs/dbraw/zinc/24/51/34/833245134.db2.gz CDEFNKQHMWBSHX-AWEZNQCLSA-N 2 0 311.426 -0.306 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010080 833263490 /nfs/dbraw/zinc/26/34/90/833263490.db2.gz GKOFUCZMTBNOCR-UONOGXRCSA-N 2 0 310.442 -0.194 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166432787 833271476 /nfs/dbraw/zinc/27/14/76/833271476.db2.gz ODLKEVUPIZQYBJ-CQSZACIVSA-N 2 0 310.442 -0.048 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166985486 833288755 /nfs/dbraw/zinc/28/87/55/833288755.db2.gz AAIBDHDLKPELBR-AWEZNQCLSA-N 2 0 322.453 -0.048 20 30 DBEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167626699 833305560 /nfs/dbraw/zinc/30/55/60/833305560.db2.gz FUARAIGKSKKBTK-AWEZNQCLSA-N 2 0 323.441 -0.015 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168023040 833315500 /nfs/dbraw/zinc/31/55/00/833315500.db2.gz SUODBFACIOXZBK-KGLIPLIRSA-N 2 0 321.425 -0.261 20 30 DBEDRP COCC#CC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541332 833341859 /nfs/dbraw/zinc/34/18/59/833341859.db2.gz JFSJGRAVYBUWHR-UHFFFAOYSA-N 2 0 311.426 -0.157 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC001117532325 828989444 /nfs/dbraw/zinc/98/94/44/828989444.db2.gz BUYAQCZQHYVLMU-HOTGVXAUSA-N 2 0 305.422 -0.001 20 30 DBEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001118131021 829038287 /nfs/dbraw/zinc/03/82/87/829038287.db2.gz PXHCRUSZJYCZIQ-QWHCGFSZSA-N 2 0 309.414 -0.289 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585487 833371593 /nfs/dbraw/zinc/37/15/93/833371593.db2.gz WJVIJXZAHKMECR-AWEZNQCLSA-N 2 0 310.442 -0.048 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C[C@H](O)COC)C1 ZINC001276390075 833423920 /nfs/dbraw/zinc/42/39/20/833423920.db2.gz WNYVUXIEKXZBPB-KBMXLJTQSA-N 2 0 323.437 -0.472 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001176926701 833438061 /nfs/dbraw/zinc/43/80/61/833438061.db2.gz UIBDGYWRBBWVQH-HNNXBMFYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001176926192 833436464 /nfs/dbraw/zinc/43/64/64/833436464.db2.gz IOWZKPGQOHKPSX-CQSZACIVSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931279 833438559 /nfs/dbraw/zinc/43/85/59/833438559.db2.gz YITSPSSMZNRSFF-UHFFFAOYSA-N 2 0 308.426 -0.292 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986109 833444706 /nfs/dbraw/zinc/44/47/06/833444706.db2.gz DYWVYYDHQQBFSU-CQSZACIVSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986108 833444929 /nfs/dbraw/zinc/44/49/29/833444929.db2.gz DYWVYYDHQQBFSU-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257007 829996847 /nfs/dbraw/zinc/99/68/47/829996847.db2.gz UVQOOASEXBBHRI-KBPBESRZSA-N 2 0 306.410 -0.684 20 30 DBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466664 830013521 /nfs/dbraw/zinc/01/35/21/830013521.db2.gz ZCEFPGMJRWOWEQ-GXTWGEPZSA-N 2 0 308.426 -0.275 20 30 DBEDRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128533045 830094468 /nfs/dbraw/zinc/09/44/68/830094468.db2.gz FIOOGZZTULANQR-LLVKDONJSA-N 2 0 301.366 -0.988 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128543463 830096110 /nfs/dbraw/zinc/09/61/10/830096110.db2.gz DFGZJOJJZLMNSI-OLZOCXBDSA-N 2 0 314.405 -0.490 20 30 DBEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910224 830227621 /nfs/dbraw/zinc/22/76/21/830227621.db2.gz JGHSZFOWEKBXJE-KFWWJZLASA-N 2 0 318.425 -0.017 20 30 DBEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137090 830269408 /nfs/dbraw/zinc/26/94/08/830269408.db2.gz IKGWVSUBBVMIFQ-KGLIPLIRSA-N 2 0 304.398 -0.407 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130187505 830278927 /nfs/dbraw/zinc/27/89/27/830278927.db2.gz WTNUAYVTHBTBMR-UONOGXRCSA-N 2 0 306.410 -0.542 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298139 830293204 /nfs/dbraw/zinc/29/32/04/830293204.db2.gz WRQWMGDVBABPFS-AWEZNQCLSA-N 2 0 323.441 -0.061 20 30 DBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370574 830464106 /nfs/dbraw/zinc/46/41/06/830464106.db2.gz NWTNARADZMUBKX-UHFFFAOYSA-N 2 0 300.322 -0.707 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519267 830480023 /nfs/dbraw/zinc/48/00/23/830480023.db2.gz BVFDYVGFRHEIOP-NPCAHTBFSA-N 2 0 307.394 -0.795 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286991 830622310 /nfs/dbraw/zinc/62/23/10/830622310.db2.gz QRLMODVPBYBGBR-CYBMUJFWSA-N 2 0 308.426 -0.296 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001132995572 830727648 /nfs/dbraw/zinc/72/76/48/830727648.db2.gz YVHQEJUPGLJROU-ZDUSSCGKSA-N 2 0 308.426 -0.179 20 30 DBEDRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133091601 830740270 /nfs/dbraw/zinc/74/02/70/830740270.db2.gz SQFUSXODRSQXCO-KBPBESRZSA-N 2 0 323.441 -0.348 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020726 830875974 /nfs/dbraw/zinc/87/59/74/830875974.db2.gz GIWZCQHUTOCESP-HNNXBMFYSA-N 2 0 311.426 -0.157 20 30 DBEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134759340 830974486 /nfs/dbraw/zinc/97/44/86/830974486.db2.gz MNBGVGVCBIWJAT-ZDUSSCGKSA-N 2 0 309.414 -0.405 20 30 DBEDRP COCC#CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118425 831012731 /nfs/dbraw/zinc/01/27/31/831012731.db2.gz MKNXZUABRVZJNW-UHFFFAOYSA-N 2 0 307.398 -0.586 20 30 DBEDRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NCC#N ZINC001135298944 831047472 /nfs/dbraw/zinc/04/74/72/831047472.db2.gz RUQCMSQOFGGJNK-OLZOCXBDSA-N 2 0 323.441 -0.159 20 30 DBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298945 831048094 /nfs/dbraw/zinc/04/80/94/831048094.db2.gz RUQCMSQOFGGJNK-QWHCGFSZSA-N 2 0 323.441 -0.159 20 30 DBEDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC(=O)NCC#N)cc1 ZINC001135341448 831055555 /nfs/dbraw/zinc/05/55/55/831055555.db2.gz WUXCLSGBKGUWEP-UHFFFAOYSA-N 2 0 317.393 -0.293 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377571 831061615 /nfs/dbraw/zinc/06/16/15/831061615.db2.gz ATNICQYFTQVFLT-KBPBESRZSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135391216 831066730 /nfs/dbraw/zinc/06/67/30/831066730.db2.gz RGWULUQEIPYHBY-STQMWFEESA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437580 833717236 /nfs/dbraw/zinc/71/72/36/833717236.db2.gz YANJSKBXMWHTAY-HIFRSBDPSA-N 2 0 308.426 -0.488 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474472 831075604 /nfs/dbraw/zinc/07/56/04/831075604.db2.gz QVUHAVYLGNEGPI-HNNXBMFYSA-N 2 0 310.442 -0.192 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135709738 831111849 /nfs/dbraw/zinc/11/18/49/831111849.db2.gz APOIVLMLYKEPQG-AWEZNQCLSA-N 2 0 308.426 -0.438 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146591084 831285397 /nfs/dbraw/zinc/28/53/97/831285397.db2.gz FUWNJKVNUSGSAW-UONOGXRCSA-N 2 0 310.442 -0.051 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146718839 831292494 /nfs/dbraw/zinc/29/24/94/831292494.db2.gz HOPGLKPIBTZMNT-UHFFFAOYSA-N 2 0 311.430 -0.204 20 30 DBEDRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147358266 831364109 /nfs/dbraw/zinc/36/41/09/831364109.db2.gz DYHSUUZSABQDIT-CQSZACIVSA-N 2 0 323.441 -0.013 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826218 831410284 /nfs/dbraw/zinc/41/02/84/831410284.db2.gz SKVOXQCFRXIKIA-ZIAGYGMSSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O ZINC001147848548 831412177 /nfs/dbraw/zinc/41/21/77/831412177.db2.gz PHEXFJHSFXLLQA-ZDUSSCGKSA-N 2 0 312.414 -0.943 20 30 DBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000309 831422607 /nfs/dbraw/zinc/42/26/07/831422607.db2.gz ONILTJDAVLMWNF-UHFFFAOYSA-N 2 0 320.437 -0.011 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051987 831427542 /nfs/dbraw/zinc/42/75/42/831427542.db2.gz ZZJJCRMXDDJWTF-UHFFFAOYSA-N 2 0 303.366 -0.784 20 30 DBEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605418 831464912 /nfs/dbraw/zinc/46/49/12/831464912.db2.gz SCBZNSBPKMPVFU-UHFFFAOYSA-N 2 0 323.437 -0.251 20 30 DBEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587432 831630328 /nfs/dbraw/zinc/63/03/28/831630328.db2.gz HODLOHFXLKILOE-OAHLLOKOSA-N 2 0 311.426 -0.205 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348164 831741777 /nfs/dbraw/zinc/74/17/77/831741777.db2.gz LPPTUAFVFHUMKI-AWEZNQCLSA-N 2 0 308.426 -0.294 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N[C@H](C)CC)CC1 ZINC001152335045 831742323 /nfs/dbraw/zinc/74/23/23/831742323.db2.gz XPAMRJLCSXPXJT-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)CC1 ZINC001152334828 831742514 /nfs/dbraw/zinc/74/25/14/831742514.db2.gz QOTMOBDCFSRKBS-UHFFFAOYSA-N 2 0 320.437 -0.342 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152440077 831749718 /nfs/dbraw/zinc/74/97/18/831749718.db2.gz XGHNHTMIWNLFEG-UHFFFAOYSA-N 2 0 311.430 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152464536 831753449 /nfs/dbraw/zinc/75/34/49/831753449.db2.gz UYXIJBJNEWFSRZ-OAHLLOKOSA-N 2 0 308.426 -0.438 20 30 DBEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001155812512 831954444 /nfs/dbraw/zinc/95/44/44/831954444.db2.gz NXBMYIKPWPUTJP-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001157842385 832065868 /nfs/dbraw/zinc/06/58/68/832065868.db2.gz KXKVRTMWFLRZGA-KKOKHZNYSA-N 2 0 319.427 -0.721 20 30 DBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486569 832117375 /nfs/dbraw/zinc/11/73/75/832117375.db2.gz OHYHHNPXWCCRIL-KBPBESRZSA-N 2 0 324.425 -0.752 20 30 DBEDRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001185722842 833808767 /nfs/dbraw/zinc/80/87/67/833808767.db2.gz BNTQSPPSMDNLOX-CYBMUJFWSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269296310 832409948 /nfs/dbraw/zinc/40/99/48/832409948.db2.gz LSMGGRSNPWAZFS-KBPBESRZSA-N 2 0 306.410 -0.780 20 30 DBEDRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403210 832427798 /nfs/dbraw/zinc/42/77/98/832427798.db2.gz UGKOGETWZCWKNJ-KGLIPLIRSA-N 2 0 323.441 -0.017 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001270159199 832506611 /nfs/dbraw/zinc/50/66/11/832506611.db2.gz ONDCTTGHXMFCRA-NSHDSACASA-N 2 0 304.354 -0.827 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001270506052 832541253 /nfs/dbraw/zinc/54/12/53/832541253.db2.gz AAFQTLGEIPJHAA-ZIAGYGMSSA-N 2 0 322.453 -0.192 20 30 DBEDRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1)[NH+](C)C ZINC001270813030 832582353 /nfs/dbraw/zinc/58/23/53/832582353.db2.gz QHSXVFLINZSEHA-CYBMUJFWSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CCO)C2)CC1 ZINC001276819461 833901555 /nfs/dbraw/zinc/90/15/55/833901555.db2.gz FPSZDFHQJCVAFB-HOCLYGCPSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271145293 832628857 /nfs/dbraw/zinc/62/88/57/832628857.db2.gz LOXGRPVGVXTQOD-DOTOQJQBSA-N 2 0 305.422 -0.096 20 30 DBEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001271436218 832667990 /nfs/dbraw/zinc/66/79/90/832667990.db2.gz LHUCYEZVOZLRCH-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001271458556 832670676 /nfs/dbraw/zinc/67/06/76/832670676.db2.gz NQWQFZXGKTZADS-HUUCEWRRSA-N 2 0 322.453 -0.097 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001271657489 832691166 /nfs/dbraw/zinc/69/11/66/832691166.db2.gz ZKJXTKCCPTYWCG-HUUCEWRRSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001271890863 832713783 /nfs/dbraw/zinc/71/37/83/832713783.db2.gz CNLGCMJATBDQDS-KFWWJZLASA-N 2 0 318.421 -0.922 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@H](C)OC)CC1 ZINC001272582876 832807496 /nfs/dbraw/zinc/80/74/96/832807496.db2.gz CIXNCGYTQAZYMR-DZGCQCFKSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839362 832851138 /nfs/dbraw/zinc/85/11/38/832851138.db2.gz ZHIMPINYHNKMHI-HNNXBMFYSA-N 2 0 322.453 -0.190 20 30 DBEDRP CCN1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193971 832891277 /nfs/dbraw/zinc/89/12/77/832891277.db2.gz ZYPOBWKIXLPKAC-LSDHHAIUSA-N 2 0 311.426 -0.159 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001273381868 832919756 /nfs/dbraw/zinc/91/97/56/832919756.db2.gz KXSYPMBLRPMCCI-AWEZNQCLSA-N 2 0 321.425 -0.594 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001273381130 832919921 /nfs/dbraw/zinc/91/99/21/832919921.db2.gz ALKBGSIVKUAZHT-UONOGXRCSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161051957 832969608 /nfs/dbraw/zinc/96/96/08/832969608.db2.gz DNKYFWPVRQTPQC-KGLIPLIRSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178045730 833489138 /nfs/dbraw/zinc/48/91/38/833489138.db2.gz SYJXBIIECUDWLK-CQSZACIVSA-N 2 0 323.441 -0.013 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001178355813 833502795 /nfs/dbraw/zinc/50/27/95/833502795.db2.gz DAMQXOKILOKOPO-AVGNSLFASA-N 2 0 307.398 -0.701 20 30 DBEDRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001179461688 833548367 /nfs/dbraw/zinc/54/83/67/833548367.db2.gz WVAWTOSFGVLPQG-UHFFFAOYSA-N 2 0 311.430 -0.156 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179539302 833549816 /nfs/dbraw/zinc/54/98/16/833549816.db2.gz UUMIPMXBHGBRLH-KKUMJFAQSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[NH+]1CCCC1 ZINC001180135807 833570484 /nfs/dbraw/zinc/57/04/84/833570484.db2.gz KGERVDGVVYEBQF-STQMWFEESA-N 2 0 307.398 -0.699 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182693498 833687365 /nfs/dbraw/zinc/68/73/65/833687365.db2.gz VCHMGDUJJOATJE-QLFBSQMISA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229515 833710538 /nfs/dbraw/zinc/71/05/38/833710538.db2.gz LDGUVWCHLSMNLI-CYBMUJFWSA-N 2 0 306.410 -0.589 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229853 833710830 /nfs/dbraw/zinc/71/08/30/833710830.db2.gz QNHOPZXOQFZZHP-CYBMUJFWSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001183389256 833715047 /nfs/dbraw/zinc/71/50/47/833715047.db2.gz CEDNAGGZQQOOPT-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183771894 833736679 /nfs/dbraw/zinc/73/66/79/833736679.db2.gz DLMYVOAGZXEJOY-GFCCVEGCSA-N 2 0 309.414 -0.453 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184877605 833774372 /nfs/dbraw/zinc/77/43/72/833774372.db2.gz VGAOBDQGZJIPBX-BFHYXJOUSA-N 2 0 306.410 -0.591 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186555810 833856777 /nfs/dbraw/zinc/85/67/77/833856777.db2.gz XYWPGGHFTPCDCV-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106415 833902524 /nfs/dbraw/zinc/90/25/24/833902524.db2.gz GMCWRNMJJGTMNI-UONOGXRCSA-N 2 0 308.426 -0.179 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187126254 833903906 /nfs/dbraw/zinc/90/39/06/833903906.db2.gz FBHIKCLHWOBCNM-UONOGXRCSA-N 2 0 318.421 -0.589 20 30 DBEDRP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001277216521 833934326 /nfs/dbraw/zinc/93/43/26/833934326.db2.gz DLYLSMNWSQDPLP-UONOGXRCSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335250 833946179 /nfs/dbraw/zinc/94/61/79/833946179.db2.gz KQNHOGCLKMEPFE-CQSZACIVSA-N 2 0 320.437 -0.294 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001188139269 833970584 /nfs/dbraw/zinc/97/05/84/833970584.db2.gz KBPZQHFSPKKNAW-HUUCEWRRSA-N 2 0 320.437 -0.199 20 30 DBEDRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277924963 834006985 /nfs/dbraw/zinc/00/69/85/834006985.db2.gz RSORIYYSVWDSBJ-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001277932459 834008724 /nfs/dbraw/zinc/00/87/24/834008724.db2.gz GRDSQXFIASEPQQ-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001277995893 834020099 /nfs/dbraw/zinc/02/00/99/834020099.db2.gz XXNMBUYXTXRVAW-DZGCQCFKSA-N 2 0 310.442 -0.242 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)CC[N@@H+]1C ZINC001193085775 834460224 /nfs/dbraw/zinc/46/02/24/834460224.db2.gz OHRJWNCTUPJCOM-ZJIFWQFVSA-N 2 0 323.437 -0.472 20 30 DBEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489482 834503289 /nfs/dbraw/zinc/50/32/89/834503289.db2.gz XKACLCKIJBOYBC-OAHLLOKOSA-N 2 0 311.426 -0.253 20 30 DBEDRP C=C[C@@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001253578274 834573072 /nfs/dbraw/zinc/57/30/72/834573072.db2.gz YDOFHKWLPXNSCA-OAHLLOKOSA-N 2 0 324.469 -0.297 20 30 DBEDRP C#CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001261868730 834867123 /nfs/dbraw/zinc/86/71/23/834867123.db2.gz UVKSUVAWPOOBJM-ZIAGYGMSSA-N 2 0 308.426 -0.724 20 30 DBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699865 834961542 /nfs/dbraw/zinc/96/15/42/834961542.db2.gz YWQHDMZFWFKEHN-RRFJBIMHSA-N 2 0 309.410 -0.861 20 30 DBEDRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)C#CC1CC[NH2+]CC1 ZINC001263281334 834977576 /nfs/dbraw/zinc/97/75/76/834977576.db2.gz PRKMQIKFCCORLO-UHFFFAOYSA-N 2 0 316.409 -0.355 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001264424380 835030202 /nfs/dbraw/zinc/03/02/02/835030202.db2.gz GJVLTEYSUKCQPH-HDJSIYSDSA-N 2 0 320.437 -0.296 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199826278 835060200 /nfs/dbraw/zinc/06/02/00/835060200.db2.gz IVSVMBYVEWFDIG-ZDUSSCGKSA-N 2 0 307.398 -0.699 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787726 835056699 /nfs/dbraw/zinc/05/66/99/835056699.db2.gz CUUTUENHFKGQLP-ZFWWWQNUSA-N 2 0 320.437 -0.201 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001265436217 835141062 /nfs/dbraw/zinc/14/10/62/835141062.db2.gz BRBNRXUIUGPBTG-UONOGXRCSA-N 2 0 308.426 -0.037 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001265481528 835146380 /nfs/dbraw/zinc/14/63/80/835146380.db2.gz MPIOLRMZYCSUKV-KKUMJFAQSA-N 2 0 320.437 -0.153 20 30 DBEDRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CCC1 ZINC001201037309 835165046 /nfs/dbraw/zinc/16/50/46/835165046.db2.gz HOJMZZRPUVNCPE-UHFFFAOYSA-N 2 0 321.425 -0.309 20 30 DBEDRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)NCC#N ZINC001265844075 835183186 /nfs/dbraw/zinc/18/31/86/835183186.db2.gz SFFDWEHJSYLVFA-CYBMUJFWSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265882530 835192138 /nfs/dbraw/zinc/19/21/38/835192138.db2.gz WBKCCFLRUJZBFX-HNNXBMFYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001265938446 835203506 /nfs/dbraw/zinc/20/35/06/835203506.db2.gz WZBQWLJSYDKBBS-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266066698 835224179 /nfs/dbraw/zinc/22/41/79/835224179.db2.gz FKMOFRIQJYKAEG-KBPBESRZSA-N 2 0 308.426 -0.296 20 30 DBEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048886 835228814 /nfs/dbraw/zinc/22/88/14/835228814.db2.gz IQRVLSVOTXCXFO-MRXNPFEDSA-N 2 0 323.437 -0.061 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266182193 835243321 /nfs/dbraw/zinc/24/33/21/835243321.db2.gz CJIRAYIBMKRQDH-ZDUSSCGKSA-N 2 0 306.410 -0.684 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202295976 835243997 /nfs/dbraw/zinc/24/39/97/835243997.db2.gz DJWAMGQXRBASAL-UHFFFAOYSA-N 2 0 320.437 -0.342 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331446 835245371 /nfs/dbraw/zinc/24/53/71/835245371.db2.gz RQXUGVMYRYDXFY-ZDUSSCGKSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202354259 835246107 /nfs/dbraw/zinc/24/61/07/835246107.db2.gz XIKIVEAEUMCWIV-MRXNPFEDSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202495543 835251696 /nfs/dbraw/zinc/25/16/96/835251696.db2.gz GFATXCHETRWLLK-ZDUSSCGKSA-N 2 0 321.425 -0.309 20 30 DBEDRP N#CCNC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705271 835305276 /nfs/dbraw/zinc/30/52/76/835305276.db2.gz QJFPZZBBCYVSEC-UHFFFAOYSA-N 2 0 307.398 -0.697 20 30 DBEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCN1CC(=O)NCC#N ZINC001266491779 835320142 /nfs/dbraw/zinc/32/01/42/835320142.db2.gz BPUJXYLURWOYJU-ZDUSSCGKSA-N 2 0 309.414 -0.451 20 30 DBEDRP C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266494958 835320601 /nfs/dbraw/zinc/32/06/01/835320601.db2.gz DKEGNXMWDUBNLW-CQSZACIVSA-N 2 0 306.410 -0.588 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266549362 835334968 /nfs/dbraw/zinc/33/49/68/835334968.db2.gz UFJQNEXIXVVVCJ-UONOGXRCSA-N 2 0 308.426 -0.322 20 30 DBEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266549363 835335192 /nfs/dbraw/zinc/33/51/92/835335192.db2.gz UFJQNEXIXVVVCJ-ZIAGYGMSSA-N 2 0 308.426 -0.322 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266725796 835369717 /nfs/dbraw/zinc/36/97/17/835369717.db2.gz UVHMWEZOORKAJL-MELADBBJSA-N 2 0 306.410 -0.686 20 30 DBEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(C)C ZINC001266728631 835370260 /nfs/dbraw/zinc/37/02/60/835370260.db2.gz FGCKRQSSHRHOJH-AWEZNQCLSA-N 2 0 308.426 -0.343 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266725327 835370581 /nfs/dbraw/zinc/37/05/81/835370581.db2.gz CZRORLINGDVGKJ-MELADBBJSA-N 2 0 308.426 -0.133 20 30 DBEDRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NCC#N ZINC001266939583 835411787 /nfs/dbraw/zinc/41/17/87/835411787.db2.gz KNPJADBEGXUROS-YPMHNXCESA-N 2 0 307.398 -0.938 20 30 DBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266993827 835423985 /nfs/dbraw/zinc/42/39/85/835423985.db2.gz GDLIMPABHQHEIM-QWHCGFSZSA-N 2 0 309.414 -0.405 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001267383864 835498854 /nfs/dbraw/zinc/49/88/54/835498854.db2.gz BWHNLODZZNGGCZ-ZDUSSCGKSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267594751 835538430 /nfs/dbraw/zinc/53/84/30/835538430.db2.gz BRTCUIOPNBDCHA-LSDHHAIUSA-N 2 0 320.437 -0.532 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCOCCO)C2)CC1 ZINC001267701711 835570028 /nfs/dbraw/zinc/57/00/28/835570028.db2.gz ZPGPNTWGBPNNJO-UHFFFAOYSA-N 2 0 323.437 -0.612 20 30 DBEDRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC#N ZINC001267804936 835599875 /nfs/dbraw/zinc/59/98/75/835599875.db2.gz MRERZMDAQJNWTD-MELADBBJSA-N 2 0 323.441 -0.159 20 30 DBEDRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001267822154 835602736 /nfs/dbraw/zinc/60/27/36/835602736.db2.gz VQQCFUZUCMYAGM-CQSZACIVSA-N 2 0 323.441 -0.158 20 30 DBEDRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001267859237 835606784 /nfs/dbraw/zinc/60/67/84/835606784.db2.gz JCCSRBBVEKYIIT-CJNGLKHVSA-N 2 0 321.425 -0.405 20 30 DBEDRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CC(=O)NCC#N ZINC001267985536 835616250 /nfs/dbraw/zinc/61/62/50/835616250.db2.gz FNOBQOHXNNBYMP-GXTWGEPZSA-N 2 0 321.425 -0.690 20 30 DBEDRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CC(=O)NCC#N ZINC001267985542 835616302 /nfs/dbraw/zinc/61/63/02/835616302.db2.gz FNOBQOHXNNBYMP-OCCSQVGLSA-N 2 0 321.425 -0.690 20 30 DBEDRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1)[NH+](C)C ZINC001268038040 835625486 /nfs/dbraw/zinc/62/54/86/835625486.db2.gz QHSXVFLINZSEHA-ZDUSSCGKSA-N 2 0 323.441 -0.015 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268658064 835768753 /nfs/dbraw/zinc/76/87/53/835768753.db2.gz DPFKOMOFOKHDCQ-HUUCEWRRSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268658063 835769140 /nfs/dbraw/zinc/76/91/40/835769140.db2.gz DPFKOMOFOKHDCQ-CABCVRRESA-N 2 0 322.453 -0.048 20 30 DBEDRP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485714225 1013333574 /nfs/dbraw/zinc/33/35/74/1013333574.db2.gz CGXKAVVUBGVFKP-STQMWFEESA-N 2 0 309.414 -0.405 20 30 DBEDRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NCC#N ZINC001485945332 1013443621 /nfs/dbraw/zinc/44/36/21/1013443621.db2.gz VSILEJFWPORYHR-GFCCVEGCSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001486121789 1013684722 /nfs/dbraw/zinc/68/47/22/1013684722.db2.gz NHEWJGYPVUXJTG-ZIAGYGMSSA-N 2 0 320.437 -0.343 20 30 DBEDRP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C[NH+]1CCCC1 ZINC001486130758 1013693795 /nfs/dbraw/zinc/69/37/95/1013693795.db2.gz VGMBVOSGWUVDAS-STQMWFEESA-N 2 0 307.398 -0.699 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001486482592 1013848277 /nfs/dbraw/zinc/84/82/77/1013848277.db2.gz JVLWVUHLJXLESZ-UHFFFAOYSA-N 2 0 306.410 -0.589 20 30 DBEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001527802416 1014296709 /nfs/dbraw/zinc/29/67/09/1014296709.db2.gz ACZSUPBUTLTERH-HOCLYGCPSA-N 2 0 304.438 -0.021 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001052958396 977843296 /nfs/dbraw/zinc/84/32/96/977843296.db2.gz MWUJYDICJGVVBQ-OAHLLOKOSA-N 2 0 320.437 -0.212 20 30 DBEDRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001208372712 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ZINC001219831199 979026864 /nfs/dbraw/zinc/02/68/64/979026864.db2.gz AYMBSOCYNAYYED-WCVJEAGWSA-N 2 0 314.389 -0.079 20 30 DBEDRP [NH3+]CCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H](S)C[NH2+]2)c1 ZINC001219876309 979036915 /nfs/dbraw/zinc/03/69/15/979036915.db2.gz HJSUDINVRGXQRM-RYUDHWBXSA-N 2 0 308.407 -0.026 20 30 DBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220415341 979194662 /nfs/dbraw/zinc/19/46/62/979194662.db2.gz HAXXMQZWMYCEIV-QMMMGPOBSA-N 2 0 312.355 -0.673 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429401 979197095 /nfs/dbraw/zinc/19/70/95/979197095.db2.gz QTTWSYYJLBGBTC-LSDHHAIUSA-N 2 0 302.378 -0.077 20 30 DBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519469 979224731 /nfs/dbraw/zinc/22/47/31/979224731.db2.gz PBYDWAGLAMTHSQ-HNNXBMFYSA-N 2 0 320.393 -0.464 20 30 DBEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638131 979254275 /nfs/dbraw/zinc/25/42/75/979254275.db2.gz SXBOWOIDHAISHI-CABCVRRESA-N 2 0 311.426 -0.165 20 30 DBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001327130301 979793260 /nfs/dbraw/zinc/79/32/60/979793260.db2.gz GPOYGZJXAVKHQE-CHWSQXEVSA-N 2 0 309.414 -0.289 20 30 DBEDRP CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@H+](C)CC1 ZINC001343027216 979916114 /nfs/dbraw/zinc/91/61/14/979916114.db2.gz ZYATXCUSGYRHSS-ISXOHVOVSA-N 2 0 319.453 -0.168 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC001346373496 980136464 /nfs/dbraw/zinc/13/64/64/980136464.db2.gz GHIPIXQZNRNAAV-HUUCEWRRSA-N 2 0 309.458 -0.125 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCCCNC(=O)CC[NH+](C)C)CC1 ZINC001350172182 980543944 /nfs/dbraw/zinc/54/39/44/980543944.db2.gz RQTVSDFRRLOKOM-UHFFFAOYSA-N 2 0 322.453 -0.094 20 30 DBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001351994364 980706024 /nfs/dbraw/zinc/70/60/24/980706024.db2.gz AKLQBZSKMYGVAG-HNNXBMFYSA-N 2 0 309.458 -0.123 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490734465 1015099520 /nfs/dbraw/zinc/09/95/20/1015099520.db2.gz AYPSGESBFDMOEM-UONOGXRCSA-N 2 0 308.426 -0.275 20 30 DBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001490857293 1015133770 /nfs/dbraw/zinc/13/37/70/1015133770.db2.gz FNSVYDJLQZEBCG-HOTGVXAUSA-N 2 0 323.437 -0.205 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490949668 1015168924 /nfs/dbraw/zinc/16/89/24/1015168924.db2.gz OPVSWASXFKTZQE-YDHLFZDLSA-N 2 0 308.426 -0.441 20 30 DBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491334529 1015359002 /nfs/dbraw/zinc/35/90/02/1015359002.db2.gz KASJUZOYQYKPRC-XPABHHOTSA-N 2 0 320.437 -0.325 20 30 DBEDRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001491560557 1015488917 /nfs/dbraw/zinc/48/89/17/1015488917.db2.gz PUYFPWIXWBOGDO-AVGNSLFASA-N 2 0 309.414 -0.549 20 30 DBEDRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001492078041 1015711238 /nfs/dbraw/zinc/71/12/38/1015711238.db2.gz NXTKAEFZBBUBRJ-LBPRGKRZSA-N 2 0 309.414 -0.548 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001492091170 1015712588 /nfs/dbraw/zinc/71/25/88/1015712588.db2.gz BJWKWCXLEQDNIT-CQSZACIVSA-N 2 0 322.453 -0.048 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001493806849 1016070999 /nfs/dbraw/zinc/07/09/99/1016070999.db2.gz QHKRNDDKXYZLQC-AWEZNQCLSA-N 2 0 322.453 -0.144 20 30 DBEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001495094592 1016549551 /nfs/dbraw/zinc/54/95/51/1016549551.db2.gz PQXRIOZCNLAVKW-ZDUSSCGKSA-N 2 0 308.426 -0.131 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001495575884 1016653651 /nfs/dbraw/zinc/65/36/51/1016653651.db2.gz IVIJSXHDCJINQT-UONOGXRCSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001496239048 1016873297 /nfs/dbraw/zinc/87/32/97/1016873297.db2.gz PEPOHJKICAICJK-UONOGXRCSA-N 2 0 322.453 -0.097 20 30 DBEDRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC001496371782 1016899114 /nfs/dbraw/zinc/89/91/14/1016899114.db2.gz UFDYVMNSFWHKHY-ZIAGYGMSSA-N 2 0 321.425 -0.451 20 30 DBEDRP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445648572 1008413643 /nfs/dbraw/zinc/41/36/43/1008413643.db2.gz NLAMCVSGRSASAM-UONOGXRCSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[NH+](C)CC#CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001477430328 1010098737 /nfs/dbraw/zinc/09/87/37/1010098737.db2.gz GVRLSBAHQMJBDN-UHFFFAOYSA-N 2 0 309.458 -0.123 20 30 DBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001479302827 1010242633 /nfs/dbraw/zinc/24/26/33/1010242633.db2.gz SEBVZFCLAWXZKR-HZSPNIEDSA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479416299 1010284787 /nfs/dbraw/zinc/28/47/87/1010284787.db2.gz YCWPKPUSRZLQKG-KBUPBQIOSA-N 2 0 320.437 -0.440 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](O)COC)C2)CC1 ZINC001479972626 1010489266 /nfs/dbraw/zinc/48/92/66/1010489266.db2.gz VKGYRPGPOARWDX-HZPDHXFCSA-N 2 0 323.437 -0.471 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001480174704 1010566755 /nfs/dbraw/zinc/56/67/55/1010566755.db2.gz YPPYQTZKMSFMPL-WKILWMFISA-N 2 0 323.437 -0.423 20 30 DBEDRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001480301350 1010606329 /nfs/dbraw/zinc/60/63/29/1010606329.db2.gz VNJBZCRYQLLWGY-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001480301349 1010606418 /nfs/dbraw/zinc/60/64/18/1010606418.db2.gz VNJBZCRYQLLWGY-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(=O)NCC#N ZINC001480536711 1010684834 /nfs/dbraw/zinc/68/48/34/1010684834.db2.gz JLUHVVWQAUEXRW-GFCCVEGCSA-N 2 0 311.430 -0.302 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480619753 1010720364 /nfs/dbraw/zinc/72/03/64/1010720364.db2.gz WHDXIUVKQNHAGH-ZFWWWQNUSA-N 2 0 320.437 -0.343 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480765203 1010756187 /nfs/dbraw/zinc/75/61/87/1010756187.db2.gz BBGZNRPTZSTPJC-BFHYXJOUSA-N 2 0 308.426 -0.440 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001481824290 1011008739 /nfs/dbraw/zinc/00/87/39/1011008739.db2.gz SAWNYPHBJKCFDN-UONOGXRCSA-N 2 0 308.426 -0.296 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482329606 1011119918 /nfs/dbraw/zinc/11/99/18/1011119918.db2.gz CRDYJKPLIIPJPT-OLZOCXBDSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482331221 1011121241 /nfs/dbraw/zinc/12/12/41/1011121241.db2.gz OTGYVVSIKKCSKU-KBPBESRZSA-N 2 0 308.426 -0.486 20 30 DBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482353991 1011126301 /nfs/dbraw/zinc/12/63/01/1011126301.db2.gz MVINSMWKTUPYBT-OLZOCXBDSA-N 2 0 309.414 -0.596 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365235 1011130701 /nfs/dbraw/zinc/13/07/01/1011130701.db2.gz SZOGQDYAAYVMIS-KBPBESRZSA-N 2 0 308.426 -0.343 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482962796 1011562046 /nfs/dbraw/zinc/56/20/46/1011562046.db2.gz BHNTWIMCIJYZAM-GJZGRUSLSA-N 2 0 322.453 -0.096 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C)CC1 ZINC001483197982 1011789002 /nfs/dbraw/zinc/78/90/02/1011789002.db2.gz JWDNEUGCZHIKCT-CQSZACIVSA-N 2 0 322.453 -0.050 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483228988 1011805950 /nfs/dbraw/zinc/80/59/50/1011805950.db2.gz UXNDBPFJTNSWQE-WCQYABFASA-N 2 0 307.398 -0.938 20 30 DBEDRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483272448 1011821722 /nfs/dbraw/zinc/82/17/22/1011821722.db2.gz YAKIQGOKLQCODN-KBPBESRZSA-N 2 0 323.441 -0.017 20 30 DBEDRP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001483486346 1011887632 /nfs/dbraw/zinc/88/76/32/1011887632.db2.gz CSTXMTQZKAJYER-KBPBESRZSA-N 2 0 323.441 -0.205 20 30 DBEDRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001483941715 1012221556 /nfs/dbraw/zinc/22/15/56/1012221556.db2.gz CBMBNKVXCNFKPH-ZDUSSCGKSA-N 2 0 321.425 -0.451 20 30 DBEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001484700073 1012837000 /nfs/dbraw/zinc/83/70/00/1012837000.db2.gz XCGGGNXCEWRRPP-HUUCEWRRSA-N 2 0 311.426 -0.042 20 30 DBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497613142 1017444212 /nfs/dbraw/zinc/44/42/12/1017444212.db2.gz XXZHNZGTUCRBNC-SCOBNMCVSA-N 2 0 307.398 -0.628 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001497825053 1017514487 /nfs/dbraw/zinc/51/44/87/1017514487.db2.gz HJLKAQDPJRVWOV-ZIAGYGMSSA-N 2 0 308.426 -0.296 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001498657446 1017845244 /nfs/dbraw/zinc/84/52/44/1017845244.db2.gz JJDXEBIMJLWTAP-OAHLLOKOSA-N 2 0 320.437 -0.342 20 30 DBEDRP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001499331315 1018075085 /nfs/dbraw/zinc/07/50/85/1018075085.db2.gz TUMHKSKZYBKKLI-STQMWFEESA-N 2 0 321.425 -0.405 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)N(C)C)CC2)CC1 ZINC001499458767 1018108784 /nfs/dbraw/zinc/10/87/84/1018108784.db2.gz NWPCIHPOJBWHCG-UHFFFAOYSA-N 2 0 320.437 -0.342 20 30 DBEDRP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706636 1018419743 /nfs/dbraw/zinc/41/97/43/1018419743.db2.gz KLHBANHSHNVOJX-ZBFHGGJFSA-N 2 0 309.410 -0.717 20 30 DBEDRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001501152700 1018586275 /nfs/dbraw/zinc/58/62/75/1018586275.db2.gz CFFUBGUNCFCFPI-KGLIPLIRSA-N 2 0 323.441 -0.350 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502738359 1019153516 /nfs/dbraw/zinc/15/35/16/1019153516.db2.gz MVWQYQJVAHMCQJ-KBPBESRZSA-N 2 0 320.437 -0.486 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502738360 1019155596 /nfs/dbraw/zinc/15/55/96/1019155596.db2.gz MVWQYQJVAHMCQJ-KGLIPLIRSA-N 2 0 320.437 -0.486 20 30 DBEDRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502754874 1019167754 /nfs/dbraw/zinc/16/77/54/1019167754.db2.gz YMQBLUHQTANBOE-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn[nH]3)C2)CC1 ZINC001574986263 1019346575 /nfs/dbraw/zinc/34/65/75/1019346575.db2.gz XTQICHPKZWHNLW-HDJSIYSDSA-N 2 0 316.409 -0.113 20 30 DBEDRP COCC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001506848403 1019967083 /nfs/dbraw/zinc/96/70/83/1019967083.db2.gz AFSVFITUKAIRTF-HZPDHXFCSA-N 2 0 323.437 -0.063 20 30 DBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001507083606 1020080811 /nfs/dbraw/zinc/08/08/11/1020080811.db2.gz UFKQXHWLGDGOTN-ZIAGYGMSSA-N 2 0 323.441 -0.063 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](C)OC)CC1 ZINC001507264289 1020261943 /nfs/dbraw/zinc/26/19/43/1020261943.db2.gz HZQFHKBRSVATBN-DZGCQCFKSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+][C@@H](C)COC)CC1 ZINC001507265983 1020262117 /nfs/dbraw/zinc/26/21/17/1020262117.db2.gz WUNAKRZSAIRTHC-DZGCQCFKSA-N 2 0 311.426 -0.567 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)OC)CC1 ZINC001507264291 1020262931 /nfs/dbraw/zinc/26/29/31/1020262931.db2.gz HZQFHKBRSVATBN-UKRRQHHQSA-N 2 0 311.426 -0.567 20 30 DBEDRP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)C1CC[NH+](C)CC1 ZINC001507321596 1020292370 /nfs/dbraw/zinc/29/23/70/1020292370.db2.gz PZIUTTBWBTYCHW-GXTWGEPZSA-N 2 0 321.425 -0.453 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001507331719 1020294502 /nfs/dbraw/zinc/29/45/02/1020294502.db2.gz QPXBPWMOCNPBDJ-KGLIPLIRSA-N 2 0 306.410 -0.589 20 30 DBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001507512756 1020413902 /nfs/dbraw/zinc/41/39/02/1020413902.db2.gz UAZNASMYUSQZMJ-CQSZACIVSA-N 2 0 311.426 -0.471 20 30 DBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001507561918 1020424159 /nfs/dbraw/zinc/42/41/59/1020424159.db2.gz HDJJNDFWBUJURR-LSDHHAIUSA-N 2 0 311.426 -0.613 20 30 DBEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001579397283 1020441941 /nfs/dbraw/zinc/44/19/41/1020441941.db2.gz PJLHPBUJDITNFW-MJBXVCDLSA-N 2 0 310.446 -0.331 20 30 DBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566811268 1024378805 /nfs/dbraw/zinc/37/88/05/1024378805.db2.gz QCEMCPTWPDAQIA-SYQHCUMBSA-N 2 0 308.426 -0.299 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567017335 1024472416 /nfs/dbraw/zinc/47/24/16/1024472416.db2.gz YYXMANLAQCBILD-UONOGXRCSA-N 2 0 308.426 -0.297 20 30 DBEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001567150752 1024554349 /nfs/dbraw/zinc/55/43/49/1024554349.db2.gz IVUODYVODPNHGB-DZGCQCFKSA-N 2 0 323.441 -0.350 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H](O)COC)CC1 ZINC001567324647 1024631440 /nfs/dbraw/zinc/63/14/40/1024631440.db2.gz WMMPPXXGHHNAIL-OAHLLOKOSA-N 2 0 311.426 -0.613 20 30 DBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001567515991 1024760137 /nfs/dbraw/zinc/76/01/37/1024760137.db2.gz FPZMUQWPQORVQT-CABCVRRESA-N 2 0 320.437 -0.199 20 30 DBEDRP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001567695923 1024810569 /nfs/dbraw/zinc/81/05/69/1024810569.db2.gz HXJVCOSJCIPQMP-GJZGRUSLSA-N 2 0 320.437 -0.342 20 30 DBEDRP CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567709644 1024812295 /nfs/dbraw/zinc/81/22/95/1024812295.db2.gz SMSLSAUXHMKUBE-KGLIPLIRSA-N 2 0 323.441 -0.205 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+][C@H]2CCNC2=O)CC1 ZINC001567990913 1024856840 /nfs/dbraw/zinc/85/68/40/1024856840.db2.gz RFMKCAJPFRELMJ-CABCVRRESA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001568172564 1024869431 /nfs/dbraw/zinc/86/94/31/1024869431.db2.gz XHPKEAGBXXPCNX-MGPQQGTHSA-N 2 0 308.426 -0.582 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001568208943 1024875120 /nfs/dbraw/zinc/87/51/20/1024875120.db2.gz QDONWERQUKHRIF-HIFRSBDPSA-N 2 0 320.437 -0.438 20 30 DBEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001568233201 1024881056 /nfs/dbraw/zinc/88/10/56/1024881056.db2.gz VJKIUCXQUIPRKZ-ZDUSSCGKSA-N 2 0 321.425 -0.261 20 30 DBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568312568 1024891103 /nfs/dbraw/zinc/89/11/03/1024891103.db2.gz NGADMULZXHHYHW-LBPRGKRZSA-N 2 0 307.398 -0.842 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001568313227 1024891555 /nfs/dbraw/zinc/89/15/55/1024891555.db2.gz WQFDZCXKMDMEIS-ZDUSSCGKSA-N 2 0 306.410 -0.732 20 30 DBEDRP N#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001568544516 1024928675 /nfs/dbraw/zinc/92/86/75/1024928675.db2.gz DFWHFIDCXDPDKP-KBPBESRZSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001568699587 1024987905 /nfs/dbraw/zinc/98/79/05/1024987905.db2.gz RXMGWYPMARGUKY-ZDUSSCGKSA-N 2 0 306.410 -0.684 20 30 DBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC001568791528 1025019895 /nfs/dbraw/zinc/01/98/95/1025019895.db2.gz LLTIZPIDEUTLFT-UHFFFAOYSA-N 2 0 307.398 -0.840 20 30 DBEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001569058443 1025126202 /nfs/dbraw/zinc/12/62/02/1025126202.db2.gz DVGFRKBLOPHISZ-RWMBFGLXSA-N 2 0 309.414 -0.549 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001569307506 1025195478 /nfs/dbraw/zinc/19/54/78/1025195478.db2.gz JICIGRBSGYGRLZ-LSDHHAIUSA-N 2 0 320.437 -0.296 20 30 DBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001569400065 1025235315 /nfs/dbraw/zinc/23/53/15/1025235315.db2.gz GEXPSQUETXNGFQ-AWEZNQCLSA-N 2 0 318.421 -0.684 20 30 DBEDRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001569421211 1025242935 /nfs/dbraw/zinc/24/29/35/1025242935.db2.gz ORBGXOKLBFBPFF-UHFFFAOYSA-N 2 0 321.425 -0.404 20 30 DBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C[C@H](O)COC)CC2)CC1 ZINC001569431794 1025248425 /nfs/dbraw/zinc/24/84/25/1025248425.db2.gz CXENHVXGGSBDKW-HNNXBMFYSA-N 2 0 323.437 -0.423 20 30 DBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001569534193 1025270794 /nfs/dbraw/zinc/27/07/94/1025270794.db2.gz FDODZKMLTLWZGK-KBPBESRZSA-N 2 0 306.410 -0.589 20 30 DBEDRP COCC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569757122 1025336330 /nfs/dbraw/zinc/33/63/30/1025336330.db2.gz BBFWISITTSCFCD-DOTOQJQBSA-N 2 0 323.437 -0.469 20 30 DBEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001569763660 1025340720 /nfs/dbraw/zinc/34/07/20/1025340720.db2.gz SRSFNQZCUDFPNZ-MRXNPFEDSA-N 2 0 311.426 -0.164 20 30 DBEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001569760692 1025344325 /nfs/dbraw/zinc/34/43/25/1025344325.db2.gz YYCIIBJJUGKMHW-INIZCTEOSA-N 2 0 321.425 -0.203 20 30 DBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001569828747 1025372972 /nfs/dbraw/zinc/37/29/72/1025372972.db2.gz NVWCPUHXOZRQJW-LSDHHAIUSA-N 2 0 322.453 -0.097 20 30 DBEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001570157342 1025504306 /nfs/dbraw/zinc/50/43/06/1025504306.db2.gz DADRGSUBMBUFCS-MRXNPFEDSA-N 2 0 323.437 -0.063 20 30 DBEDRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001570636194 1025687786 /nfs/dbraw/zinc/68/77/86/1025687786.db2.gz FZZQSAUCEHZKAJ-CHWSQXEVSA-N 2 0 323.441 -0.159 20 30 DBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001571197779 1025882961 /nfs/dbraw/zinc/88/29/61/1025882961.db2.gz LFTTVSFXFVNKPE-KKUMJFAQSA-N 2 0 322.453 -0.051 20 30 DBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001571434284 1025998538 /nfs/dbraw/zinc/99/85/38/1025998538.db2.gz CUEBFEADHYLPLI-ZDUSSCGKSA-N 2 0 313.361 -0.029 20 30 DBEDRP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001571608768 1026125067 /nfs/dbraw/zinc/12/50/67/1026125067.db2.gz OXKSERVLEWVNOC-CABCVRRESA-N 2 0 311.426 -0.661 20 30 DBEDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)C1 ZINC001571637919 1026132702 /nfs/dbraw/zinc/13/27/02/1026132702.db2.gz GRIJMDHAQRJGEK-CHWSQXEVSA-N 2 0 323.441 -0.302 20 30 DBEDRP C#CCC[NH+]1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC001574583773 1026797621 /nfs/dbraw/zinc/79/76/21/1026797621.db2.gz NGFNGWLYLIYNHT-MRXNPFEDSA-N 2 0 309.410 -0.405 20 30 DBEDRP