smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1 ZINC001440599547 1093864643 /nfs/dbraw/zinc/86/46/43/1093864643.db2.gz PDBNCVQPHRGRGY-PBHICJAKSA-N 1 3 348.516 2.288 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1 ZINC001440599547 1093864645 /nfs/dbraw/zinc/86/46/45/1093864645.db2.gz PDBNCVQPHRGRGY-PBHICJAKSA-N 1 3 348.516 2.288 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713171 1106941408 /nfs/dbraw/zinc/94/14/08/1106941408.db2.gz ZJBLMCQYWFJHET-RBUKOAKNSA-N 1 3 342.487 2.417 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC001521463793 1119252207 /nfs/dbraw/zinc/25/22/07/1119252207.db2.gz OAGFREGWOCJOBA-INIZCTEOSA-N 1 3 332.448 2.199 20 30 EEEDHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290989096 266026446 /nfs/dbraw/zinc/02/64/46/266026446.db2.gz SJNUOBBLFKPDIP-CRAIPNDOSA-N 1 3 326.444 2.477 20 30 EEEDHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290989096 266026451 /nfs/dbraw/zinc/02/64/51/266026451.db2.gz SJNUOBBLFKPDIP-CRAIPNDOSA-N 1 3 326.444 2.477 20 30 EEEDHO CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@@H](N2CCCCC2)C1 ZINC000086740991 462580480 /nfs/dbraw/zinc/58/04/80/462580480.db2.gz GXGIOQWYDQFNPN-VQIMIIECSA-N 1 3 348.491 2.013 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067203393 462978632 /nfs/dbraw/zinc/97/86/32/462978632.db2.gz JPVVLZDZJZOXRN-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067203393 462978635 /nfs/dbraw/zinc/97/86/35/462978635.db2.gz JPVVLZDZJZOXRN-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000067203395 462979175 /nfs/dbraw/zinc/97/91/75/462979175.db2.gz JPVVLZDZJZOXRN-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067203395 462979178 /nfs/dbraw/zinc/97/91/78/462979178.db2.gz JPVVLZDZJZOXRN-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000171711479 463910196 /nfs/dbraw/zinc/91/01/96/463910196.db2.gz NJMGUWNOAOOFBT-SFHVURJKSA-N 1 3 336.524 2.447 20 30 EEEDHO [NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)NC1CCCCC1 ZINC000178567213 463922637 /nfs/dbraw/zinc/92/26/37/463922637.db2.gz DLUDJNLHPNDJBT-UHFFFAOYSA-N 1 3 344.503 2.380 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(C)C ZINC000275168892 464766492 /nfs/dbraw/zinc/76/64/92/464766492.db2.gz BSTZHSXTXNLRNQ-ZWKOTPCHSA-N 1 3 336.524 2.278 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000299164093 465632031 /nfs/dbraw/zinc/63/20/31/465632031.db2.gz SUIHEANPWLZQAT-FQEVSTJZSA-N 1 3 339.483 2.112 20 30 EEEDHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424152868 466992293 /nfs/dbraw/zinc/99/22/93/466992293.db2.gz JFBMQNBUWNKMME-AWEZNQCLSA-N 1 3 338.839 2.240 20 30 EEEDHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597859899 468696526 /nfs/dbraw/zinc/69/65/26/468696526.db2.gz HTPMHVSUDBMRJB-QZTJIDSGSA-N 1 3 338.455 2.477 20 30 EEEDHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597859899 468696529 /nfs/dbraw/zinc/69/65/29/468696529.db2.gz HTPMHVSUDBMRJB-QZTJIDSGSA-N 1 3 338.455 2.477 20 30 EEEDHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682769 676338611 /nfs/dbraw/zinc/33/86/11/676338611.db2.gz TWHMCENPQDOMKF-MOPGFXCFSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707741 676366781 /nfs/dbraw/zinc/36/67/81/676366781.db2.gz YGKZWIJSRMJFNW-MOPGFXCFSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CCC2)CC1 ZINC001024813303 681466181 /nfs/dbraw/zinc/46/61/81/681466181.db2.gz YVNKHSSJCMVXJJ-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)CC1 ZINC001024813303 681466183 /nfs/dbraw/zinc/46/61/83/681466183.db2.gz YVNKHSSJCMVXJJ-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C[NH+]=C(NC[C@]1(N(C)C)CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261991804 682748769 /nfs/dbraw/zinc/74/87/69/682748769.db2.gz RLPIQMBMNZRYDP-WDSOQIARSA-N 1 3 336.524 2.185 20 30 EEEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492780 682918339 /nfs/dbraw/zinc/91/83/39/682918339.db2.gz FBWOZNLWVOUUCV-PKOBYXMFSA-N 1 3 341.499 2.254 20 30 EEEDHO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262405698 685788269 /nfs/dbraw/zinc/78/82/69/685788269.db2.gz OMHUUXHQYVESAO-FJIDUMEYSA-N 1 3 348.535 2.326 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000985328748 686336972 /nfs/dbraw/zinc/33/69/72/686336972.db2.gz XQQOKEKXXXOWEB-LJQANCHMSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000985328748 686336980 /nfs/dbraw/zinc/33/69/80/686336980.db2.gz XQQOKEKXXXOWEB-LJQANCHMSA-N 1 3 340.471 2.075 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1SCCc2ccccc21 ZINC000262505041 686513186 /nfs/dbraw/zinc/51/31/86/686513186.db2.gz BCWZGNWOEJOACP-DOTOQJQBSA-N 1 3 332.517 2.406 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000304759462 687019710 /nfs/dbraw/zinc/01/97/10/687019710.db2.gz RGJMVSYLYVRIGK-KRWDZBQOSA-N 1 3 347.463 2.306 20 30 EEEDHO [NH2+]=C(NC[C@H]1CCC=CO1)NC1CCN(Cc2ccccc2)CC1 ZINC000262803705 688515390 /nfs/dbraw/zinc/51/53/90/688515390.db2.gz NBBVXVAHKXMPKH-GOSISDBHSA-N 1 3 328.460 2.248 20 30 EEEDHO C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001421764964 1181489978 /nfs/dbraw/zinc/48/99/78/1181489978.db2.gz CYLGLDHQYCGITP-JSGCOSHPSA-N 1 3 346.313 2.111 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086067 1188702953 /nfs/dbraw/zinc/70/29/53/1188702953.db2.gz NKOVOZQXUCYHIR-IPMKNSEASA-N 1 3 331.504 2.360 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086067 1188702956 /nfs/dbraw/zinc/70/29/56/1188702956.db2.gz NKOVOZQXUCYHIR-IPMKNSEASA-N 1 3 331.504 2.360 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)CC[NH+]1CCCCC1)C[C@H](C)O2 ZINC001098662982 1188849378 /nfs/dbraw/zinc/84/93/78/1188849378.db2.gz RSBKVBQWVPHNEP-SFHVURJKSA-N 1 3 349.519 2.130 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]C(C)C)cc2)CC1 ZINC001034831959 1196793645 /nfs/dbraw/zinc/79/36/45/1196793645.db2.gz GWGUOWFVCUHRPW-UHFFFAOYSA-N 1 3 327.472 2.146 20 30 EEEDHO C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000949382925 1209659483 /nfs/dbraw/zinc/65/94/83/1209659483.db2.gz MEBFIYYTPKRUKL-UHFFFAOYSA-N 1 3 349.519 2.130 20 30 EEEDHO C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000949382925 1209659485 /nfs/dbraw/zinc/65/94/85/1209659485.db2.gz MEBFIYYTPKRUKL-UHFFFAOYSA-N 1 3 349.519 2.130 20 30 EEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961373053 1217162605 /nfs/dbraw/zinc/16/26/05/1217162605.db2.gz FWKLGQPOGHWDOD-MOPGFXCFSA-N 1 3 333.520 2.463 20 30 EEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961373053 1217162607 /nfs/dbraw/zinc/16/26/07/1217162607.db2.gz FWKLGQPOGHWDOD-MOPGFXCFSA-N 1 3 333.520 2.463 20 30 EEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928465 1221679541 /nfs/dbraw/zinc/67/95/41/1221679541.db2.gz LNRUVYOQECKZTN-OALUTQOASA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCN1CC(C)C ZINC000968928465 1221679544 /nfs/dbraw/zinc/67/95/44/1221679544.db2.gz LNRUVYOQECKZTN-OALUTQOASA-N 1 3 333.520 2.491 20 30 EEEDHO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369346 1232051171 /nfs/dbraw/zinc/05/11/71/1232051171.db2.gz WTSXGJRNHPKZIG-QFBILLFUSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369346 1232051173 /nfs/dbraw/zinc/05/11/73/1232051173.db2.gz WTSXGJRNHPKZIG-QFBILLFUSA-N 1 3 327.472 2.471 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001045188049 1233567257 /nfs/dbraw/zinc/56/72/57/1233567257.db2.gz ZRRMKJQECAVDTK-RBUKOAKNSA-N 1 3 342.487 2.225 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](C[C@@H](C)CC)CC2)CC1 ZINC001045646731 1233879789 /nfs/dbraw/zinc/87/97/89/1233879789.db2.gz MXQLGORJNZURNJ-KRWDZBQOSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961141 1234235945 /nfs/dbraw/zinc/23/59/45/1234235945.db2.gz HMNXQRAIONJSCZ-TZIWHRDSSA-N 1 3 345.531 2.446 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961141 1234235948 /nfs/dbraw/zinc/23/59/48/1234235948.db2.gz HMNXQRAIONJSCZ-TZIWHRDSSA-N 1 3 345.531 2.446 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045967085 1234247368 /nfs/dbraw/zinc/24/73/68/1234247368.db2.gz MUZGVRCJYNNJAZ-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045967085 1234247366 /nfs/dbraw/zinc/24/73/66/1234247366.db2.gz MUZGVRCJYNNJAZ-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047244059 1235735389 /nfs/dbraw/zinc/73/53/89/1235735389.db2.gz PGKAWKDYJINBJD-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)N(C)C ZINC001000221657 1240075985 /nfs/dbraw/zinc/07/59/85/1240075985.db2.gz ZZHHHKZBRGIGBG-AEFFLSMTSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001049720940 1241988971 /nfs/dbraw/zinc/98/89/71/1241988971.db2.gz UZOKHZRZTRXHJN-QKLQHJQFSA-N 1 3 349.494 2.288 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001049720940 1241988978 /nfs/dbraw/zinc/98/89/78/1241988978.db2.gz UZOKHZRZTRXHJN-QKLQHJQFSA-N 1 3 349.494 2.288 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991433 1257919069 /nfs/dbraw/zinc/91/90/69/1257919069.db2.gz YJASAOGTELSCBE-BJLQDIEVSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991433 1257919072 /nfs/dbraw/zinc/91/90/72/1257919072.db2.gz YJASAOGTELSCBE-BJLQDIEVSA-N 1 3 331.504 2.102 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229860572 1302968759 /nfs/dbraw/zinc/96/87/59/1302968759.db2.gz XBXKZNBFBKDUID-RTBURBONSA-N 1 3 342.487 2.417 20 30 EEEDHO C=C(C)CN(CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846339 1303497515 /nfs/dbraw/zinc/49/75/15/1303497515.db2.gz GCNJIFYADJHAJB-PKOBYXMFSA-N 1 3 344.503 2.164 20 30 EEEDHO C=C(C)CN(CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846339 1303497516 /nfs/dbraw/zinc/49/75/16/1303497516.db2.gz GCNJIFYADJHAJB-PKOBYXMFSA-N 1 3 344.503 2.164 20 30 EEEDHO C=C(C)CN(CCCNC(=O)C[N@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846798 1303498823 /nfs/dbraw/zinc/49/88/23/1303498823.db2.gz XQJGSIHRDJJNBJ-GOSISDBHSA-N 1 3 344.503 2.450 20 30 EEEDHO C=C(C)CN(CCCNC(=O)C[N@@H+]1CCC[C@H]1C)Cc1cccnc1 ZINC001230846798 1303498828 /nfs/dbraw/zinc/49/88/28/1303498828.db2.gz XQJGSIHRDJJNBJ-GOSISDBHSA-N 1 3 344.503 2.450 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203026727 1314873481 /nfs/dbraw/zinc/87/34/81/1314873481.db2.gz ARGRLXIODGNGEW-KBPBESRZSA-N 1 3 325.884 2.240 20 30 EEEDHO C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001149707037 1316020507 /nfs/dbraw/zinc/02/05/07/1316020507.db2.gz BUIQAFPJWROGTJ-QZTJIDSGSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001149707037 1316020511 /nfs/dbraw/zinc/02/05/11/1316020511.db2.gz BUIQAFPJWROGTJ-QZTJIDSGSA-N 1 3 337.508 2.033 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841846 1316062762 /nfs/dbraw/zinc/06/27/62/1316062762.db2.gz KYRZLZGQILMOIO-MSOLQXFVSA-N 1 3 337.508 2.033 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841846 1316062765 /nfs/dbraw/zinc/06/27/65/1316062765.db2.gz KYRZLZGQILMOIO-MSOLQXFVSA-N 1 3 337.508 2.033 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2)CC1 ZINC001152334330 1316658178 /nfs/dbraw/zinc/65/81/78/1316658178.db2.gz AODGJFHUHKTCFF-OAHLLOKOSA-N 1 3 347.890 2.452 20 30 EEEDHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001159837412 1320001935 /nfs/dbraw/zinc/00/19/35/1320001935.db2.gz CVPYCGFNFOHEDC-LJQANCHMSA-N 1 3 342.487 2.132 20 30 EEEDHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001159837412 1320001937 /nfs/dbraw/zinc/00/19/37/1320001937.db2.gz CVPYCGFNFOHEDC-LJQANCHMSA-N 1 3 342.487 2.132 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162987723 1321006029 /nfs/dbraw/zinc/00/60/29/1321006029.db2.gz VONFQPDFJWWBSJ-UHFFFAOYSA-N 1 3 329.488 2.012 20 30 EEEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)CC1 ZINC001276477597 1322247329 /nfs/dbraw/zinc/24/73/29/1322247329.db2.gz OOYCRBPZBILLKY-AQNXPRMDSA-N 1 3 333.520 2.236 20 30 EEEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2c(C)cccc2C)CC1 ZINC001262568194 1322325105 /nfs/dbraw/zinc/32/51/05/1322325105.db2.gz OBMDTOKVTMOXTL-LJQANCHMSA-N 1 3 330.472 2.120 20 30 EEEDHO C=CCCCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209202473 1324850450 /nfs/dbraw/zinc/85/04/50/1324850450.db2.gz DIHRTPMSSNTUJP-UHFFFAOYSA-N 1 3 347.507 2.453 20 30 EEEDHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001209446015 1324934044 /nfs/dbraw/zinc/93/40/44/1324934044.db2.gz QFBLMHQOVLKCFC-SFHVURJKSA-N 1 3 347.890 2.224 20 30 EEEDHO CCCCCCCC[C@H](N)C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001340311103 1337157098 /nfs/dbraw/zinc/15/70/98/1337157098.db2.gz GEPFTWCKPBQCKI-SQNIBIBYSA-N 1 3 339.524 2.419 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001353580726 1338291745 /nfs/dbraw/zinc/29/17/45/1338291745.db2.gz CSRLJYMLJALOBH-SFHVURJKSA-N 1 3 330.476 2.451 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001353580726 1338291751 /nfs/dbraw/zinc/29/17/51/1338291751.db2.gz CSRLJYMLJALOBH-SFHVURJKSA-N 1 3 330.476 2.451 20 30 EEEDHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323555 1379865899 /nfs/dbraw/zinc/86/58/99/1379865899.db2.gz YQVMYXTTXGKDQN-ZWKOTPCHSA-N 1 3 330.476 2.129 20 30 EEEDHO CC[N@H+](C)CCC(=O)NCC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001400186698 1396024817 /nfs/dbraw/zinc/02/48/17/1396024817.db2.gz NYJRMHSSVXXAJP-HNNXBMFYSA-N 1 3 348.516 2.290 20 30 EEEDHO CC[N@@H+](C)CCC(=O)NCC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001400186698 1396024821 /nfs/dbraw/zinc/02/48/21/1396024821.db2.gz NYJRMHSSVXXAJP-HNNXBMFYSA-N 1 3 348.516 2.290 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001755204188 1407214649 /nfs/dbraw/zinc/21/46/49/1407214649.db2.gz IEGSWDFXBUALLA-IAGOWNOFSA-N 1 3 330.476 2.479 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001755204188 1407214660 /nfs/dbraw/zinc/21/46/60/1407214660.db2.gz IEGSWDFXBUALLA-IAGOWNOFSA-N 1 3 330.476 2.479 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271723 1407281742 /nfs/dbraw/zinc/28/17/42/1407281742.db2.gz VWNOKWVYVSTKIR-QZTJIDSGSA-N 1 3 341.499 2.323 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001091316856 790275154 /nfs/dbraw/zinc/27/51/54/790275154.db2.gz COFDIPUIGASZKK-UHFFFAOYSA-N 1 3 339.911 2.345 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211615910 761130074 /nfs/dbraw/zinc/13/00/74/761130074.db2.gz MJLQLMWESSTFBU-RBUKOAKNSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541007 777625422 /nfs/dbraw/zinc/62/54/22/777625422.db2.gz IKGUBOUIABTHDA-OALUTQOASA-N 1 3 331.504 2.149 20 30 EEEDHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccc(C#N)s1)C(C)C ZINC001135477884 783869577 /nfs/dbraw/zinc/86/95/77/783869577.db2.gz SJDQGRWEINCSFN-MRXNPFEDSA-N 1 3 336.505 2.192 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135743812 784352679 /nfs/dbraw/zinc/35/26/79/784352679.db2.gz PTORIBBEMORXPL-HOTGVXAUSA-N 1 3 330.476 2.273 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001036224849 786055339 /nfs/dbraw/zinc/05/53/39/786055339.db2.gz MBIOUBYEKPOPFZ-ZBFHGGJFSA-N 1 3 327.900 2.297 20 30 EEEDHO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146584531 791337115 /nfs/dbraw/zinc/33/71/15/791337115.db2.gz TWGQRCTZOHXECR-SJORKVTESA-N 1 3 347.503 2.437 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925165 792998265 /nfs/dbraw/zinc/99/82/65/792998265.db2.gz MZRDYDUBMCSARR-FGTMMUONSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925165 792998274 /nfs/dbraw/zinc/99/82/74/792998274.db2.gz MZRDYDUBMCSARR-FGTMMUONSA-N 1 3 331.504 2.053 20 30 EEEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300231 793775499 /nfs/dbraw/zinc/77/54/99/793775499.db2.gz SIJYQPOBGBJZBE-XLIONFOSSA-N 1 3 327.472 2.328 20 30 EEEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300231 793775506 /nfs/dbraw/zinc/77/55/06/793775506.db2.gz SIJYQPOBGBJZBE-XLIONFOSSA-N 1 3 327.472 2.328 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)N(C)C ZINC000999492315 794595153 /nfs/dbraw/zinc/59/51/53/794595153.db2.gz ZZHHHKZBRGIGBG-FUHWJXTLSA-N 1 3 346.450 2.118 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902320 796440055 /nfs/dbraw/zinc/44/00/55/796440055.db2.gz IYXONHUYPABLMX-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902320 796440056 /nfs/dbraw/zinc/44/00/56/796440056.db2.gz IYXONHUYPABLMX-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO CCCN(C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001171762596 796723310 /nfs/dbraw/zinc/72/33/10/796723310.db2.gz HOQNZPPYLDTOQN-UHFFFAOYSA-N 1 3 335.879 2.129 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993617482 796843933 /nfs/dbraw/zinc/84/39/33/796843933.db2.gz CSNPIYMHKHOQLQ-YLJYHZDGSA-N 1 3 341.499 2.397 20 30 EEEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799552 796912975 /nfs/dbraw/zinc/91/29/75/796912975.db2.gz UVTOZYDACISWHF-GUDVDZBRSA-N 1 3 349.519 2.175 20 30 EEEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799552 796912978 /nfs/dbraw/zinc/91/29/78/796912978.db2.gz UVTOZYDACISWHF-GUDVDZBRSA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271390 798063897 /nfs/dbraw/zinc/06/38/97/798063897.db2.gz AWOUURJCYXRWHO-KRWDZBQOSA-N 1 3 339.524 2.186 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)N1CCCC1 ZINC001177378501 798892953 /nfs/dbraw/zinc/89/29/53/798892953.db2.gz DKIAVBRLPXGZII-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539386 799982778 /nfs/dbraw/zinc/98/27/78/799982778.db2.gz WPCLYHRNDZUBOU-MPGHIAIKSA-N 1 3 325.472 2.354 20 30 EEEDHO C#CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179585275 800017943 /nfs/dbraw/zinc/01/79/43/800017943.db2.gz GECPISNMBFGRFO-GOSISDBHSA-N 1 3 325.472 2.098 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001182608507 801275605 /nfs/dbraw/zinc/27/56/05/801275605.db2.gz UWIMIXSVAUZGGL-FRFSOERESA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001108829977 804553149 /nfs/dbraw/zinc/55/31/49/804553149.db2.gz AKOLOMXGZAANFV-WDSOQIARSA-N 1 3 339.483 2.354 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001129418602 810831609 /nfs/dbraw/zinc/83/16/09/810831609.db2.gz VKWCBLYHZFMULB-KRWDZBQOSA-N 1 3 346.450 2.166 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001129418602 810831621 /nfs/dbraw/zinc/83/16/21/810831621.db2.gz VKWCBLYHZFMULB-KRWDZBQOSA-N 1 3 346.450 2.166 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130431328 811632454 /nfs/dbraw/zinc/63/24/54/811632454.db2.gz VGKNJBLPNOXLDU-MRXNPFEDSA-N 1 3 347.507 2.123 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130431328 811632457 /nfs/dbraw/zinc/63/24/57/811632457.db2.gz VGKNJBLPNOXLDU-MRXNPFEDSA-N 1 3 347.507 2.123 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440739909 1093988510 /nfs/dbraw/zinc/98/85/10/1093988510.db2.gz UJCXTOVREUMTBZ-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440739909 1093988512 /nfs/dbraw/zinc/98/85/12/1093988512.db2.gz UJCXTOVREUMTBZ-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(C#N)cc1 ZINC000565586126 319195380 /nfs/dbraw/zinc/19/53/80/319195380.db2.gz SLPONBJACWTSHM-QGZVFWFLSA-N 1 3 342.487 2.005 20 30 EEEDHO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC(C)C)cc1OC ZINC000130832996 462777944 /nfs/dbraw/zinc/77/79/44/462777944.db2.gz CIRRACMITIDVBG-MRXNPFEDSA-N 1 3 348.491 2.229 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171712532 463910808 /nfs/dbraw/zinc/91/08/08/463910808.db2.gz FORXLLISDDVZBQ-KRWDZBQOSA-N 1 3 336.524 2.448 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171712532 463910815 /nfs/dbraw/zinc/91/08/15/463910815.db2.gz FORXLLISDDVZBQ-KRWDZBQOSA-N 1 3 336.524 2.448 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(OC)c2)CC1 ZINC000290448266 464119551 /nfs/dbraw/zinc/11/95/51/464119551.db2.gz CJNBYAHFXUHQEZ-MRXNPFEDSA-N 1 3 330.476 2.115 20 30 EEEDHO COc1ccc(CN2CCC(CNC(=[NH2+])NCC(C)C)CC2)cc1 ZINC000264068749 464280123 /nfs/dbraw/zinc/28/01/23/464280123.db2.gz CLYFNVDENJNJQR-UHFFFAOYSA-N 1 3 332.492 2.468 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182721620 464716330 /nfs/dbraw/zinc/71/63/30/464716330.db2.gz LQUOEZVJHRJYGJ-SJLPKXTDSA-N 1 3 334.508 2.153 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182721620 464716335 /nfs/dbraw/zinc/71/63/35/464716335.db2.gz LQUOEZVJHRJYGJ-SJLPKXTDSA-N 1 3 334.508 2.153 20 30 EEEDHO 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N#Cc1ccccc1CNCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158040486 1318981338 /nfs/dbraw/zinc/98/13/38/1318981338.db2.gz XCJLMVULZCXGPJ-RTBURBONSA-N 1 3 340.471 2.029 20 30 EEEDHO C[NH+](C)CCC(=O)NCCC1=CCN(Cc2ccc(C#N)cc2)CC1 ZINC001161090158 1320382505 /nfs/dbraw/zinc/38/25/05/1320382505.db2.gz QECMGEYYVOULOQ-UHFFFAOYSA-N 1 3 340.471 2.148 20 30 EEEDHO C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001367715246 1374241559 /nfs/dbraw/zinc/24/15/59/1374241559.db2.gz OUJLGKIMKSGCLE-OAHLLOKOSA-N 1 3 346.450 2.168 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001375764614 1377981832 /nfs/dbraw/zinc/98/18/32/1377981832.db2.gz PBEKUDWUNVFBJT-AWEZNQCLSA-N 1 3 334.489 2.042 20 30 EEEDHO C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1C#N ZINC001377494875 1379294493 /nfs/dbraw/zinc/29/44/93/1379294493.db2.gz USHYCVYRUFUMHK-INIZCTEOSA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CN(C)CC(C)(C)C ZINC001392512159 1390073570 /nfs/dbraw/zinc/07/35/70/1390073570.db2.gz ONMOMJVJVVRXFF-OAHLLOKOSA-N 1 3 330.476 2.130 20 30 EEEDHO CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001755361091 1407359247 /nfs/dbraw/zinc/35/92/47/1407359247.db2.gz LYLBPUNFMNLQBI-UXHICEINSA-N 1 3 341.499 2.254 20 30 EEEDHO CCCC[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001755361091 1407359255 /nfs/dbraw/zinc/35/92/55/1407359255.db2.gz LYLBPUNFMNLQBI-UXHICEINSA-N 1 3 341.499 2.254 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C(F)(F)F ZINC001112123371 1410877190 /nfs/dbraw/zinc/87/71/90/1410877190.db2.gz GSOQXNZLKLDGMZ-CHWSQXEVSA-N 1 3 335.414 2.272 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615961 761130188 /nfs/dbraw/zinc/13/01/88/761130188.db2.gz OOQRHRVUYNDEDR-VQTJNVASSA-N 1 3 339.483 2.078 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530881 782632578 /nfs/dbraw/zinc/63/25/78/782632578.db2.gz XTNCBJMLOHRCRV-XLIONFOSSA-N 1 3 341.499 2.254 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211675399 770093848 /nfs/dbraw/zinc/09/38/48/770093848.db2.gz QEAJZYTWNFSDOA-YSIASYRMSA-N 1 3 341.499 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070323 773435360 /nfs/dbraw/zinc/43/53/60/773435360.db2.gz ONFIZXFIZREFMD-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070323 773435364 /nfs/dbraw/zinc/43/53/64/773435364.db2.gz ONFIZXFIZREFMD-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167815330 774989814 /nfs/dbraw/zinc/98/98/14/774989814.db2.gz RBWODMHEVLNSMZ-UHFFFAOYSA-N 1 3 342.487 2.276 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312929 781646974 /nfs/dbraw/zinc/64/69/74/781646974.db2.gz TVSANHBDAYDAEY-XLIONFOSSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001101312929 781646977 /nfs/dbraw/zinc/64/69/77/781646977.db2.gz TVSANHBDAYDAEY-XLIONFOSSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998270844 792412606 /nfs/dbraw/zinc/41/26/06/792412606.db2.gz VOSCMBXPRRGACW-KGLIPLIRSA-N 1 3 347.425 2.416 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926061 793001114 /nfs/dbraw/zinc/00/11/14/793001114.db2.gz OEBCPOBHFDJYIV-OALUTQOASA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926061 793001124 /nfs/dbraw/zinc/00/11/24/793001124.db2.gz OEBCPOBHFDJYIV-OALUTQOASA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926060 793001362 /nfs/dbraw/zinc/00/13/62/793001362.db2.gz OEBCPOBHFDJYIV-MOPGFXCFSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926060 793001372 /nfs/dbraw/zinc/00/13/72/793001372.db2.gz OEBCPOBHFDJYIV-MOPGFXCFSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942631 793035271 /nfs/dbraw/zinc/03/52/71/793035271.db2.gz WZGNYAFUWCPBBZ-ZWKOTPCHSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405818 793138821 /nfs/dbraw/zinc/13/88/21/793138821.db2.gz DSSQMCMWMUFTLP-CEXWTWQISA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405818 793138828 /nfs/dbraw/zinc/13/88/28/793138828.db2.gz DSSQMCMWMUFTLP-CEXWTWQISA-N 1 3 349.519 2.175 20 30 EEEDHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998995785 793649025 /nfs/dbraw/zinc/64/90/25/793649025.db2.gz VCNNBEXSMCHXJK-KVULBXGLSA-N 1 3 346.500 2.183 20 30 EEEDHO CC#CCN1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992408389 793981558 /nfs/dbraw/zinc/98/15/58/793981558.db2.gz RSVTZVDJIDRPQD-CTNGQTDRSA-N 1 3 343.515 2.245 20 30 EEEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902956 796441784 /nfs/dbraw/zinc/44/17/84/796441784.db2.gz SOVLDZGIEANUED-OALUTQOASA-N 1 3 327.472 2.471 20 30 EEEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902956 796441787 /nfs/dbraw/zinc/44/17/87/796441787.db2.gz SOVLDZGIEANUED-OALUTQOASA-N 1 3 327.472 2.471 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124563 796642351 /nfs/dbraw/zinc/64/23/51/796642351.db2.gz LSPHIYILBDEHQO-ZCNNSNEGSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124563 796642361 /nfs/dbraw/zinc/64/23/61/796642361.db2.gz LSPHIYILBDEHQO-ZCNNSNEGSA-N 1 3 339.483 2.078 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001081174936 796669178 /nfs/dbraw/zinc/66/91/78/796669178.db2.gz MUHCEEDLRIKPSE-IPMKNSEASA-N 1 3 329.488 2.343 20 30 EEEDHO CC[NH+](CC)CCN1CCN([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309074 796950912 /nfs/dbraw/zinc/95/09/12/796950912.db2.gz QAXPRBUIRVIWOE-GOSISDBHSA-N 1 3 328.504 2.449 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015704508 797389726 /nfs/dbraw/zinc/38/97/26/797389726.db2.gz AEYIEFGRNHZDMV-YJBOKZPZSA-N 1 3 325.472 2.356 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015704508 797389732 /nfs/dbraw/zinc/38/97/32/797389732.db2.gz AEYIEFGRNHZDMV-YJBOKZPZSA-N 1 3 325.472 2.356 20 30 EEEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112586048 806697922 /nfs/dbraw/zinc/69/79/22/806697922.db2.gz FCHXDTKNJAMOQU-NSHGMRRFSA-N 1 3 331.504 2.102 20 30 EEEDHO C[C@H]1[C@@H](NCC#Cc2ccc(Cl)cc2)CCN1C(=O)CC[NH+](C)C ZINC001179472533 799941939 /nfs/dbraw/zinc/94/19/39/799941939.db2.gz NVRJACOWTDWDTG-YJBOKZPZSA-N 1 3 347.890 2.222 20 30 EEEDHO C=C(C)CN1CCC(CCOC)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001151399167 801915739 /nfs/dbraw/zinc/91/57/39/801915739.db2.gz RJWYNACHLBUELA-UHFFFAOYSA-N 1 3 339.524 2.282 20 30 EEEDHO C=C(C)CN1CCC(CCOC)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001151399167 801915744 /nfs/dbraw/zinc/91/57/44/801915744.db2.gz RJWYNACHLBUELA-UHFFFAOYSA-N 1 3 339.524 2.282 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365173 802832886 /nfs/dbraw/zinc/83/28/86/802832886.db2.gz HNACMYFOXFNTIT-FPCVCCKLSA-N 1 3 325.884 2.098 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365173 802832891 /nfs/dbraw/zinc/83/28/91/802832891.db2.gz HNACMYFOXFNTIT-FPCVCCKLSA-N 1 3 325.884 2.098 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H]1C ZINC001441828497 1095881860 /nfs/dbraw/zinc/88/18/60/1095881860.db2.gz RXJYNXDCNHFQIK-CJNGLKHVSA-N 1 3 334.489 2.041 20 30 EEEDHO C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001495742615 1101513002 /nfs/dbraw/zinc/51/30/02/1101513002.db2.gz IPQDCMVMSGCRRO-GFCCVEGCSA-N 1 3 348.329 2.215 20 30 EEEDHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001480770230 1107082685 /nfs/dbraw/zinc/08/26/85/1107082685.db2.gz PUPJXFFIACXIJI-OAHLLOKOSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000491617345 533100703 /nfs/dbraw/zinc/10/07/03/533100703.db2.gz CBJQOJMXRJASLW-UHFFFAOYSA-N 1 3 336.524 2.095 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000491617345 533100704 /nfs/dbraw/zinc/10/07/04/533100704.db2.gz CBJQOJMXRJASLW-UHFFFAOYSA-N 1 3 336.524 2.095 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000296702850 465230799 /nfs/dbraw/zinc/23/07/99/465230799.db2.gz ZFXUTUMZCJZKGT-UHFFFAOYSA-N 1 3 342.487 2.037 20 30 EEEDHO C#CCN1CCC(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066921734 462946103 /nfs/dbraw/zinc/94/61/03/462946103.db2.gz CQDXUHHUIAIMOF-CALCHBBNSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066921734 462946105 /nfs/dbraw/zinc/94/61/05/462946105.db2.gz CQDXUHHUIAIMOF-CALCHBBNSA-N 1 3 333.520 2.204 20 30 EEEDHO CCc1cccc(CC)c1NC(=[NH2+])NCCN1CCCN(C)CC1 ZINC000264129959 464287270 /nfs/dbraw/zinc/28/72/70/464287270.db2.gz XUBNINDBBPEQOQ-UHFFFAOYSA-N 1 3 331.508 2.176 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174244548 464383529 /nfs/dbraw/zinc/38/35/29/464383529.db2.gz DMJWSKHHLCCKJX-QGZVFWFLSA-N 1 3 334.508 2.154 20 30 EEEDHO COc1ccc(NC(=[NH2+])NCC2(N3CCCC3)CCOCC2)cc1 ZINC000267421299 464931793 /nfs/dbraw/zinc/93/17/93/464931793.db2.gz KONUNPGKTDFGNK-UHFFFAOYSA-N 1 3 332.448 2.067 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000417058866 466767298 /nfs/dbraw/zinc/76/72/98/466767298.db2.gz GTJZMELEPAWSPR-RCCFBDPRSA-N 1 3 336.524 2.454 20 30 EEEDHO C#CCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370699493 466970524 /nfs/dbraw/zinc/97/05/24/466970524.db2.gz QVLRXKVHPJTJHY-ICSRJNTNSA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370699493 466970529 /nfs/dbraw/zinc/97/05/29/466970529.db2.gz QVLRXKVHPJTJHY-ICSRJNTNSA-N 1 3 341.499 2.156 20 30 EEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424147774 466990737 /nfs/dbraw/zinc/99/07/37/466990737.db2.gz SEROXRMZAVPQEB-NJAFHUGGSA-N 1 3 328.460 2.034 20 30 EEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424147774 466990739 /nfs/dbraw/zinc/99/07/39/466990739.db2.gz SEROXRMZAVPQEB-NJAFHUGGSA-N 1 3 328.460 2.034 20 30 EEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000551752716 468251667 /nfs/dbraw/zinc/25/16/67/468251667.db2.gz HCLKRQOTJSIOSE-UHFFFAOYSA-N 1 3 348.495 2.072 20 30 EEEDHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000597710521 468647225 /nfs/dbraw/zinc/64/72/25/468647225.db2.gz OLRZTCZENBUIOX-AZUAARDMSA-N 1 3 336.439 2.185 20 30 EEEDHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C2 ZINC000597710521 468647228 /nfs/dbraw/zinc/64/72/28/468647228.db2.gz OLRZTCZENBUIOX-AZUAARDMSA-N 1 3 336.439 2.185 20 30 EEEDHO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000598722090 468973430 /nfs/dbraw/zinc/97/34/30/468973430.db2.gz YYQHETVAQGCWAI-IBGZPJMESA-N 1 3 345.487 2.034 20 30 EEEDHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000969964130 675348295 /nfs/dbraw/zinc/34/82/95/675348295.db2.gz CQMVNKVEKNEELS-CQSZACIVSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CC2)CC1 ZINC001024813341 681466217 /nfs/dbraw/zinc/46/62/17/681466217.db2.gz ZQGGXGJUUSFOFJ-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC2CC2)CC1 ZINC001024813341 681466220 /nfs/dbraw/zinc/46/62/20/681466220.db2.gz ZQGGXGJUUSFOFJ-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975062783 686091054 /nfs/dbraw/zinc/09/10/54/686091054.db2.gz ONIRQMRVPNCWSP-IBGZPJMESA-N 1 3 341.499 2.254 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(=C)C)CC2(C)C)CC1 ZINC000977650359 692879296 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EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC(=C)Cl)CC2)CC1 ZINC001034795657 1196733078 /nfs/dbraw/zinc/73/30/78/1196733078.db2.gz OJANEOGANIQCOV-QAQDUYKDSA-N 1 3 337.895 2.101 20 30 EEEDHO C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584800 1199673141 /nfs/dbraw/zinc/67/31/41/1199673141.db2.gz XITHXFPSSBSRPD-CHWSQXEVSA-N 1 3 346.313 2.252 20 30 EEEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCCCC1 ZINC000303877718 1213917883 /nfs/dbraw/zinc/91/78/83/1213917883.db2.gz FNZLGJLKHJKVEM-UHFFFAOYSA-N 1 3 343.519 2.389 20 30 EEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605467 1215250013 /nfs/dbraw/zinc/25/00/13/1215250013.db2.gz DIICTMUXNHONCH-GOSISDBHSA-N 1 3 331.504 2.056 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1Cl ZINC000304814391 1216107120 /nfs/dbraw/zinc/10/71/20/1216107120.db2.gz ZPJOFWVJJOYXDD-ZIAGYGMSSA-N 1 3 338.883 2.496 20 30 EEEDHO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961266368 1217118177 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333.520 2.254 20 30 EEEDHO C[C@H](N)c1nc2ccccc2n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001155247206 1317520355 /nfs/dbraw/zinc/52/03/55/1317520355.db2.gz DBAIRBIIQURIEO-LBPRGKRZSA-N 1 3 332.411 2.348 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787226 1320268329 /nfs/dbraw/zinc/26/83/29/1320268329.db2.gz KPEYTTDOVMCMBQ-LJQANCHMSA-N 1 3 329.488 2.023 20 30 EEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)(COC)CC1 ZINC001162590228 1320906639 /nfs/dbraw/zinc/90/66/39/1320906639.db2.gz JXXHGRFSHHZHCY-UHFFFAOYSA-N 1 3 348.491 2.072 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832221 1320970239 /nfs/dbraw/zinc/97/02/39/1320970239.db2.gz LOEICBFIWCIGSH-FQEVSTJZSA-N 1 3 341.499 2.011 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836463 1320970631 /nfs/dbraw/zinc/97/06/31/1320970631.db2.gz JJEKGIAVYZXGOG-FQEVSTJZSA-N 1 3 343.515 2.257 20 30 EEEDHO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209642144 1324997599 /nfs/dbraw/zinc/99/75/99/1324997599.db2.gz MLUXNVBLWLWLHP-YJBOKZPZSA-N 1 3 325.472 2.356 20 30 EEEDHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001492034638 1330458402 /nfs/dbraw/zinc/45/84/02/1330458402.db2.gz KZNOHYCQMDDKCR-OAHLLOKOSA-N 1 3 328.460 2.027 20 30 EEEDHO C=CCN(C)c1nnc([C@@H]2CCC[NH2+]2)n1C[C@@H]1CCCCN1C1CC1 ZINC001574925002 1343712592 /nfs/dbraw/zinc/71/25/92/1343712592.db2.gz FATVYYNHIFIUGR-IRXDYDNUSA-N 1 3 344.507 2.342 20 30 EEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCCO1 ZINC001202140858 1368879304 /nfs/dbraw/zinc/87/93/04/1368879304.db2.gz HFZYHBYIQMMYIM-LJQANCHMSA-N 1 3 345.487 2.145 20 30 EEEDHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)N(C)C ZINC001366181688 1373820919 /nfs/dbraw/zinc/82/09/19/1373820919.db2.gz RGCSYXBTCGQQDK-OALUTQOASA-N 1 3 342.487 2.227 20 30 EEEDHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)N(C)C ZINC001366181688 1373820922 /nfs/dbraw/zinc/82/09/22/1373820922.db2.gz RGCSYXBTCGQQDK-OALUTQOASA-N 1 3 342.487 2.227 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC001370219698 1374847248 /nfs/dbraw/zinc/84/72/48/1374847248.db2.gz XDNOUNHLYMZHNK-RTBURBONSA-N 1 3 342.487 2.129 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001379137708 1380565334 /nfs/dbraw/zinc/56/53/34/1380565334.db2.gz QAGKFSSPXRYWOC-YJBOKZPZSA-N 1 3 330.476 2.081 20 30 EEEDHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001391310574 1389237626 /nfs/dbraw/zinc/23/76/26/1389237626.db2.gz GNWNSXHMAHDVDT-WMLDXEAASA-N 1 3 346.500 2.042 20 30 EEEDHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001391310574 1389237629 /nfs/dbraw/zinc/23/76/29/1389237629.db2.gz GNWNSXHMAHDVDT-WMLDXEAASA-N 1 3 346.500 2.042 20 30 EEEDHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001393564443 1390474085 /nfs/dbraw/zinc/47/40/85/1390474085.db2.gz WZOFBPULJHTTLO-UHFFFAOYSA-N 1 3 328.460 2.029 20 30 EEEDHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001399333956 1394981095 /nfs/dbraw/zinc/98/10/95/1394981095.db2.gz FUUVIVSDKMZEQH-CQSZACIVSA-N 1 3 346.450 2.166 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C#N)C1 ZINC001402168221 1397812473 /nfs/dbraw/zinc/81/24/73/1397812473.db2.gz DUHRFSOWHKZMIF-HXUWFJFHSA-N 1 3 342.487 2.228 20 30 EEEDHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001754945191 1407006112 /nfs/dbraw/zinc/00/61/12/1407006112.db2.gz SNHODPOMMDHRQF-QGZVFWFLSA-N 1 3 342.487 2.227 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1)[NH+](C)C ZINC001732437502 1405959165 /nfs/dbraw/zinc/95/91/65/1405959165.db2.gz RGJDFDDYABTGCI-PKOBYXMFSA-N 1 3 329.488 2.061 20 30 EEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001755770234 1407830916 /nfs/dbraw/zinc/83/09/16/1407830916.db2.gz QJZDZDCXZFVODB-KGLIPLIRSA-N 1 3 335.414 2.129 20 30 EEEDHO C=CC[NH2+]CC1(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232726 757537081 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C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779829 783199820 /nfs/dbraw/zinc/19/98/20/783199820.db2.gz UEESGTLOFVWFPS-YESZJQIVSA-N 1 3 339.911 2.394 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C(F)(F)F ZINC001112159966 781670012 /nfs/dbraw/zinc/67/00/12/781670012.db2.gz JVXPMSCVTFEZAJ-MGPQQGTHSA-N 1 3 335.414 2.128 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979028 784903691 /nfs/dbraw/zinc/90/36/91/784903691.db2.gz AYMYYLWGHCWHPK-HOTGVXAUSA-N 1 3 330.476 2.273 20 30 EEEDHO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585546 791337931 /nfs/dbraw/zinc/33/79/31/791337931.db2.gz ZVBVURBFIBTVHG-IRXDYDNUSA-N 1 3 347.503 2.437 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591876 791360537 /nfs/dbraw/zinc/36/05/37/791360537.db2.gz HUYVDUFIHHVQFH-IAGOWNOFSA-N 1 3 347.478 2.390 20 30 EEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629341 792586276 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C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086399740 802896471 /nfs/dbraw/zinc/89/64/71/802896471.db2.gz KPGCEONHOMRXFX-KLHDSHLOSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086399740 802896477 /nfs/dbraw/zinc/89/64/77/802896477.db2.gz KPGCEONHOMRXFX-KLHDSHLOSA-N 1 3 325.884 2.240 20 30 EEEDHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310473 1098868967 /nfs/dbraw/zinc/86/89/67/1098868967.db2.gz PXTJRQPWPJPYES-QFBILLFUSA-N 1 3 342.487 2.275 20 30 EEEDHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000123254261 463327323 /nfs/dbraw/zinc/32/73/23/463327323.db2.gz YYGVNSBLWALISK-IBGZPJMESA-N 1 3 345.487 2.352 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000178903911 464009990 /nfs/dbraw/zinc/00/99/90/464009990.db2.gz XEFBANXVPBUABY-KRWDZBQOSA-N 1 3 336.524 2.304 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000178903911 464009998 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CC[NH+](CC)CCO[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000350249956 466437675 /nfs/dbraw/zinc/43/76/75/466437675.db2.gz JOCLCPVVAWNPJN-IBGZPJMESA-N 1 3 331.460 2.370 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057462 466766152 /nfs/dbraw/zinc/76/61/52/466766152.db2.gz BIFOJVKSOSPFQU-MJGOQNOKSA-N 1 3 336.524 2.374 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000417543029 466879804 /nfs/dbraw/zinc/87/98/04/466879804.db2.gz TZCYUCTWGKTFBS-GOSISDBHSA-N 1 3 334.508 2.201 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000669385664 471472059 /nfs/dbraw/zinc/47/20/59/471472059.db2.gz NXAPNOCYYHSPNZ-RCCFBDPRSA-N 1 3 334.508 2.078 20 30 EEEDHO C#CCOc1ccc(C[NH2+]CCCCN2CCN(CC)CC2)cc1 ZINC000113321504 527103584 /nfs/dbraw/zinc/10/35/84/527103584.db2.gz HUVJTKVDLPYYRQ-UHFFFAOYSA-N 1 3 329.488 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCC2)CC1 ZINC000969155492 674643123 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C=CCN1CCC(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000891520954 676684074 /nfs/dbraw/zinc/68/40/74/676684074.db2.gz CIQTXKKMWQYPKA-QGZVFWFLSA-N 1 3 334.508 2.248 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001023127953 679134644 /nfs/dbraw/zinc/13/46/44/679134644.db2.gz KLKROVHXZAFNHR-HDICACEKSA-N 1 3 331.504 2.005 20 30 EEEDHO CC[NH+]=C(NCC1(N(C)C)CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000262022535 682878252 /nfs/dbraw/zinc/87/82/52/682878252.db2.gz ZCAJZJSCIODAQM-SFHVURJKSA-N 1 3 336.524 2.329 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC000985155319 685990960 /nfs/dbraw/zinc/99/09/60/685990960.db2.gz VDCQTBRXYLZUOQ-SAABIXHNSA-N 1 3 345.512 2.078 20 30 EEEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482468268 1185971186 /nfs/dbraw/zinc/97/11/86/1185971186.db2.gz ABVJDLNZFCTRRA-HUUCEWRRSA-N 1 3 327.900 2.440 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484356225 1191316415 /nfs/dbraw/zinc/31/64/15/1191316415.db2.gz UXFBWDFTLKMXAK-JKSUJKDBSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202224 1199445772 /nfs/dbraw/zinc/44/57/72/1199445772.db2.gz DYGGRLMYFDIXAI-MSOLQXFVSA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCOCCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525745 1199821847 /nfs/dbraw/zinc/82/18/47/1199821847.db2.gz UZRAASFHHGXNGZ-MSOLQXFVSA-N 1 3 337.508 2.034 20 30 EEEDHO CC[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)[NH+](CC)CC ZINC001133684484 1201189572 /nfs/dbraw/zinc/18/95/72/1201189572.db2.gz IIKDHXRIIBKRGG-KRWDZBQOSA-N 1 3 334.439 2.024 20 30 EEEDHO N#Cc1ccc(NCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893035 1206164534 /nfs/dbraw/zinc/16/45/34/1206164534.db2.gz JVVLXSGFHARTHH-XLIONFOSSA-N 1 3 349.438 2.211 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOCCc1ccccc1 ZINC000303878812 1213917422 /nfs/dbraw/zinc/91/74/22/1213917422.db2.gz JIWRBGVDZSGLGF-SFHVURJKSA-N 1 3 332.492 2.024 20 30 EEEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC1 ZINC000303885431 1213921057 /nfs/dbraw/zinc/92/10/57/1213921057.db2.gz NDRPSOCKZUKSOZ-ROUUACIJSA-N 1 3 339.572 2.379 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COc1ccccc1OC ZINC000305688146 1216975703 /nfs/dbraw/zinc/97/57/03/1216975703.db2.gz PHWVJQXCRQQIBO-JKSUJKDBSA-N 1 3 348.491 2.099 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443813 1217192133 /nfs/dbraw/zinc/19/21/33/1217192133.db2.gz WPBOMLUDUHQQSY-IBGZPJMESA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443813 1217192135 /nfs/dbraw/zinc/19/21/35/1217192135.db2.gz WPBOMLUDUHQQSY-IBGZPJMESA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297614 1232012672 /nfs/dbraw/zinc/01/26/72/1232012672.db2.gz RYVIDXCAKWJKOV-IEBWSBKVSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045960178 1234234315 /nfs/dbraw/zinc/23/43/15/1234234315.db2.gz BTTKGPHXZBISRO-CMKODMSKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045960178 1234234319 /nfs/dbraw/zinc/23/43/19/1234234319.db2.gz BTTKGPHXZBISRO-CMKODMSKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319202 1234663529 /nfs/dbraw/zinc/66/35/29/1234663529.db2.gz PZDCJLPLIBSXBR-XLIONFOSSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCCN1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319202 1234663532 /nfs/dbraw/zinc/66/35/32/1234663532.db2.gz PZDCJLPLIBSXBR-XLIONFOSSA-N 1 3 331.504 2.245 20 30 EEEDHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001000194484 1240049123 /nfs/dbraw/zinc/04/91/23/1240049123.db2.gz VTALLYONSUGCDX-GJZGRUSLSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)C3)CC2)CC1 ZINC001052953704 1245544956 /nfs/dbraw/zinc/54/49/56/1245544956.db2.gz GJQJWXQJGXWRBH-AFMYVXGZSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CC(C)C3)CC2)CC1 ZINC001052953704 1245544963 /nfs/dbraw/zinc/54/49/63/1245544963.db2.gz GJQJWXQJGXWRBH-AFMYVXGZSA-N 1 3 345.531 2.348 20 30 EEEDHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1ccc(C#N)s1 ZINC001216463828 1297180280 /nfs/dbraw/zinc/18/02/80/1297180280.db2.gz JKXYSJYAEZGHGI-RHSMWYFYSA-N 1 3 348.516 2.288 20 30 EEEDHO CC(C)[C@]1(C(=O)Nc2sc3c(c2C#N)CCNC3)CCC[NH2+]C1 ZINC001218552655 1297711422 /nfs/dbraw/zinc/71/14/22/1297711422.db2.gz JDXXSOWWOYMNJU-KRWDZBQOSA-N 1 3 332.473 2.230 20 30 EEEDHO CC(C)[C@H](C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001229073691 1302598818 /nfs/dbraw/zinc/59/88/18/1302598818.db2.gz LAUYLINVXINDJF-LJQANCHMSA-N 1 3 342.487 2.225 20 30 EEEDHO C[NH+](C)CCC(=O)NC1CC2(CC(NCc3ccccc3C#N)C2)C1 ZINC001121703196 1310108845 /nfs/dbraw/zinc/10/88/45/1310108845.db2.gz PHCLZDVVWPHOBN-UHFFFAOYSA-N 1 3 340.471 2.027 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153446086 1316829560 /nfs/dbraw/zinc/82/95/60/1316829560.db2.gz OMJYPIFHRNSHAJ-GPMSIDNRSA-N 1 3 342.487 2.225 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153446086 1316829562 /nfs/dbraw/zinc/82/95/62/1316829562.db2.gz OMJYPIFHRNSHAJ-GPMSIDNRSA-N 1 3 342.487 2.225 20 30 EEEDHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC001159914515 1320019649 /nfs/dbraw/zinc/01/96/49/1320019649.db2.gz DCLGNTYOMYGJRT-GOSISDBHSA-N 1 3 347.890 2.128 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001160986385 1320344145 /nfs/dbraw/zinc/34/41/45/1320344145.db2.gz RVFPDAHNDVPYHC-IBGZPJMESA-N 1 3 331.504 2.270 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986385 1320344147 /nfs/dbraw/zinc/34/41/47/1320344147.db2.gz RVFPDAHNDVPYHC-IBGZPJMESA-N 1 3 331.504 2.270 20 30 EEEDHO CC#CC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951242 1323737611 /nfs/dbraw/zinc/73/76/11/1323737611.db2.gz GPVACCORYRQABT-UHFFFAOYSA-N 1 3 327.472 2.213 20 30 EEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001332078640 1335721520 /nfs/dbraw/zinc/72/15/20/1335721520.db2.gz ZSNGQLJRLQIOLJ-IAGOWNOFSA-N 1 3 348.878 2.379 20 30 EEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001332078640 1335721523 /nfs/dbraw/zinc/72/15/23/1335721523.db2.gz ZSNGQLJRLQIOLJ-IAGOWNOFSA-N 1 3 348.878 2.379 20 30 EEEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001104202464 1371156528 /nfs/dbraw/zinc/15/65/28/1371156528.db2.gz BIMULDKCAGMRAB-KBRIMQKVSA-N 1 3 339.911 2.155 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CNCc2ccccc2C#N)C1 ZINC001376555694 1378593222 /nfs/dbraw/zinc/59/32/22/1378593222.db2.gz HZSWXRAIGUTYPO-KRWDZBQOSA-N 1 3 342.487 2.228 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CNCc2ccccc2C#N)C1 ZINC001376555694 1378593224 /nfs/dbraw/zinc/59/32/24/1378593224.db2.gz HZSWXRAIGUTYPO-KRWDZBQOSA-N 1 3 342.487 2.228 20 30 EEEDHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323553 1379865434 /nfs/dbraw/zinc/86/54/34/1379865434.db2.gz YQVMYXTTXGKDQN-QZTJIDSGSA-N 1 3 330.476 2.129 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001398734841 1394170486 /nfs/dbraw/zinc/17/04/86/1394170486.db2.gz YCPPDBQWIZWCKR-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001755138427 1407148630 /nfs/dbraw/zinc/14/86/30/1407148630.db2.gz MODXYIJOVZCVHF-HZPDHXFCSA-N 1 3 327.488 2.459 20 30 EEEDHO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](F)CN(CC)CC)C(C)(C)C1 ZINC001755138427 1407148634 /nfs/dbraw/zinc/14/86/34/1407148634.db2.gz MODXYIJOVZCVHF-HZPDHXFCSA-N 1 3 327.488 2.459 20 30 EEEDHO COc1cc(C#N)ccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579139007 1403777792 /nfs/dbraw/zinc/77/77/92/1403777792.db2.gz GTTUVTLKHLCHNK-HKUYNNGSSA-N 1 3 329.444 2.285 20 30 EEEDHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001755473639 1407508603 /nfs/dbraw/zinc/50/86/03/1407508603.db2.gz VSEGLNHFZALALN-UFYCRDLUSA-N 1 3 341.499 2.109 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001755749433 1407807844 /nfs/dbraw/zinc/80/78/44/1407807844.db2.gz JDEVLRCPDAGGSU-APWZRJJASA-N 1 3 327.472 2.260 20 30 EEEDHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001167486580 759878284 /nfs/dbraw/zinc/87/82/84/759878284.db2.gz KIPHWGUAYOQVPP-UHFFFAOYSA-N 1 3 342.487 2.276 20 30 EEEDHO CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087306400 761554424 /nfs/dbraw/zinc/55/44/24/761554424.db2.gz IMWLSVGQZWLPHR-HOJAQTOUSA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)[C@H](C)C2)CC1 ZINC000948070200 773418590 /nfs/dbraw/zinc/41/85/90/773418590.db2.gz NQKIOKGJTHSBNE-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)CC1 ZINC000948070200 773418593 /nfs/dbraw/zinc/41/85/93/773418593.db2.gz NQKIOKGJTHSBNE-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC000982275388 779476067 /nfs/dbraw/zinc/47/60/67/779476067.db2.gz DWELTQXEEYBQQY-YSIASYRMSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC000982275388 779476069 /nfs/dbraw/zinc/47/60/69/779476069.db2.gz DWELTQXEEYBQQY-YSIASYRMSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC000982296252 779606203 /nfs/dbraw/zinc/60/62/03/779606203.db2.gz NITAVVRYCNDGNB-SESVDKBCSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC000982296252 779606209 /nfs/dbraw/zinc/60/62/09/779606209.db2.gz NITAVVRYCNDGNB-SESVDKBCSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001028334220 780787787 /nfs/dbraw/zinc/78/77/87/780787787.db2.gz YAABZNQZNFREGK-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001028334220 780787789 /nfs/dbraw/zinc/78/77/89/780787789.db2.gz YAABZNQZNFREGK-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001105394496 781794272 /nfs/dbraw/zinc/79/42/72/781794272.db2.gz YRUUELCCAMULRX-SFHVURJKSA-N 1 3 343.515 2.055 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976505 784926135 /nfs/dbraw/zinc/92/61/35/784926135.db2.gz KNECUBRHYWWAJS-JKSUJKDBSA-N 1 3 330.476 2.273 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977781 784929056 /nfs/dbraw/zinc/92/90/56/784929056.db2.gz ZAQXDYSIGKMOGQ-MSOLQXFVSA-N 1 3 329.488 2.253 20 30 EEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035719505 785013641 /nfs/dbraw/zinc/01/36/41/785013641.db2.gz AVLNTMQHPUCCNL-GOSISDBHSA-N 1 3 333.520 2.465 20 30 EEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035719505 785013644 /nfs/dbraw/zinc/01/36/44/785013644.db2.gz AVLNTMQHPUCCNL-GOSISDBHSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090875163 788746389 /nfs/dbraw/zinc/74/63/89/788746389.db2.gz JGBFUPGARNHHPU-IPMKNSEASA-N 1 3 345.487 2.105 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001090880772 788796517 /nfs/dbraw/zinc/79/65/17/788796517.db2.gz JGBFUPGARNHHPU-OTWHNJEPSA-N 1 3 345.487 2.105 20 30 EEEDHO C[NH+]=C(NCc1c(C)noc1C)NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000157051573 789457570 /nfs/dbraw/zinc/45/75/70/789457570.db2.gz RLWJZCXKODNMDT-ACJLOTCBSA-N 1 3 335.496 2.467 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC000999348378 794340836 /nfs/dbraw/zinc/34/08/36/794340836.db2.gz OCPYXDRSLQOIBE-GOSISDBHSA-N 1 3 340.471 2.123 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC000999434537 794457660 /nfs/dbraw/zinc/45/76/60/794457660.db2.gz OCTKGXCMRKQQOE-OALUTQOASA-N 1 3 342.487 2.225 20 30 EEEDHO C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380328 795119446 /nfs/dbraw/zinc/11/94/46/795119446.db2.gz XTLVCPRAPIIJSW-OALUTQOASA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380328 795119451 /nfs/dbraw/zinc/11/94/51/795119451.db2.gz XTLVCPRAPIIJSW-OALUTQOASA-N 1 3 345.531 2.443 20 30 EEEDHO C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724871 795254400 /nfs/dbraw/zinc/25/44/00/795254400.db2.gz FKTWJWZMQIIJHA-OALUTQOASA-N 1 3 331.504 2.360 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)CC1 ZINC001094581601 796421490 /nfs/dbraw/zinc/42/14/90/796421490.db2.gz DBRNRZWFKHOKRH-TZIWHRDSSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)CC1 ZINC001094581601 796421495 /nfs/dbraw/zinc/42/14/95/796421495.db2.gz DBRNRZWFKHOKRH-TZIWHRDSSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819207 797023677 /nfs/dbraw/zinc/02/36/77/797023677.db2.gz JZJPZEKJFABBDB-ROUUACIJSA-N 1 3 331.504 2.005 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820006 797025131 /nfs/dbraw/zinc/02/51/31/797025131.db2.gz TZXIUDURYBXSLR-OALUTQOASA-N 1 3 343.515 2.149 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931302 798634891 /nfs/dbraw/zinc/63/48/91/798634891.db2.gz ZRJHKEFLRRJRLL-UHFFFAOYSA-N 1 3 328.460 2.030 20 30 EEEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001177320016 798858636 /nfs/dbraw/zinc/85/86/36/798858636.db2.gz YFCSNMHAEAFFTG-MOPGFXCFSA-N 1 3 349.519 2.034 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179983216 800198939 /nfs/dbraw/zinc/19/89/39/800198939.db2.gz PHKGVYKMFULASP-KSSFIOAISA-N 1 3 346.450 2.118 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001085257898 800294421 /nfs/dbraw/zinc/29/44/21/800294421.db2.gz FXZHELOZGGUSCC-HUUCEWRRSA-N 1 3 325.884 2.384 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CCC2CC2)CC1 ZINC001180360565 800377352 /nfs/dbraw/zinc/37/73/52/800377352.db2.gz IWTGFSNPFHYUFI-UHFFFAOYSA-N 1 3 333.520 2.398 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC[C@H](C)F)CC1 ZINC001180360835 800377847 /nfs/dbraw/zinc/37/78/47/800377847.db2.gz NFTOLNFMYXZOHM-KRWDZBQOSA-N 1 3 339.499 2.346 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001151242275 801220129 /nfs/dbraw/zinc/22/01/29/801220129.db2.gz MZKOGJARSVNVHP-GOSISDBHSA-N 1 3 349.519 2.034 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592474 801663995 /nfs/dbraw/zinc/66/39/95/801663995.db2.gz PGDDXCZDCOQJMV-HDICACEKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592474 801663997 /nfs/dbraw/zinc/66/39/97/801663997.db2.gz PGDDXCZDCOQJMV-HDICACEKSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119355 802215847 /nfs/dbraw/zinc/21/58/47/802215847.db2.gz KPGCEONHOMRXFX-QKPAOTATSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086119355 802215854 /nfs/dbraw/zinc/21/58/54/802215854.db2.gz KPGCEONHOMRXFX-QKPAOTATSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604764 813007880 /nfs/dbraw/zinc/00/78/80/813007880.db2.gz GCZBJQKIFBQHCH-QUCCMNQESA-N 1 3 349.519 2.034 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953640 1101650670 /nfs/dbraw/zinc/65/06/70/1101650670.db2.gz SVODNXMEYHETEP-CABCVRRESA-N 1 3 348.516 2.288 20 30 EEEDHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001507037854 1115073979 /nfs/dbraw/zinc/07/39/79/1115073979.db2.gz ZMXDFAKVLYDYFS-MRXNPFEDSA-N 1 3 327.900 2.442 20 30 EEEDHO C=CCc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000268456919 201227832 /nfs/dbraw/zinc/22/78/32/201227832.db2.gz XXLZIILLFZUGQZ-UHFFFAOYSA-N 1 3 348.487 2.454 20 30 EEEDHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000574825471 320060989 /nfs/dbraw/zinc/06/09/89/320060989.db2.gz CGQKLSOQRRJJQK-BQFCYCMXSA-N 1 3 344.507 2.287 20 30 EEEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000574825474 320061202 /nfs/dbraw/zinc/06/12/02/320061202.db2.gz CGQKLSOQRRJJQK-SOLBZPMBSA-N 1 3 344.507 2.287 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000067266975 462983911 /nfs/dbraw/zinc/98/39/11/462983911.db2.gz ADNBHHYTLLBMPF-IBGZPJMESA-N 1 3 327.472 2.059 20 30 EEEDHO CN1CCC(Oc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1 ZINC000284070834 464081642 /nfs/dbraw/zinc/08/16/42/464081642.db2.gz QNCJISLTNMDTNT-UHFFFAOYSA-N 1 3 339.443 2.481 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000264079260 464281373 /nfs/dbraw/zinc/28/13/73/464281373.db2.gz ICUZPZJDXXEOSX-DLBZAZTESA-N 1 3 347.507 2.195 20 30 EEEDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181491294 464496071 /nfs/dbraw/zinc/49/60/71/464496071.db2.gz YWCHDTKEXBINFE-QGZVFWFLSA-N 1 3 330.476 2.267 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc2cccc(Cl)c2n1C ZINC000274792635 464755446 /nfs/dbraw/zinc/75/54/46/464755446.db2.gz QIYVTYMTTOOWFM-LBPRGKRZSA-N 1 3 348.882 2.115 20 30 EEEDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570875 468484900 /nfs/dbraw/zinc/48/49/00/468484900.db2.gz YMFARKQWEKWYKF-OXJNMPFZSA-N 1 3 349.482 2.470 20 30 EEEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCC1(C#N)CCOCC1 ZINC000368531339 466661442 /nfs/dbraw/zinc/66/14/42/466661442.db2.gz UTIPAKFZDDHHNX-FGTMMUONSA-N 1 3 335.492 2.270 20 30 EEEDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCC1(C#N)CCOCC1 ZINC000368531342 466661581 /nfs/dbraw/zinc/66/15/81/466661581.db2.gz UTIPAKFZDDHHNX-SQNIBIBYSA-N 1 3 335.492 2.270 20 30 EEEDHO CCN(C[C@@H](C)C#N)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566439193 468152255 /nfs/dbraw/zinc/15/22/55/468152255.db2.gz DFZGZTDMCWLMOU-INIZCTEOSA-N 1 3 334.508 2.191 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712034 468239447 /nfs/dbraw/zinc/23/94/47/468239447.db2.gz CRRFFGBLIPOJST-PXNSSMCTSA-N 1 3 341.499 2.448 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000490800520 468252900 /nfs/dbraw/zinc/25/29/00/468252900.db2.gz SPYRIUPTMJLYJK-RTBURBONSA-N 1 3 333.520 2.348 20 30 EEEDHO C[NH+](C)Cc1ccc(CNC[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000556750866 468564218 /nfs/dbraw/zinc/56/42/18/468564218.db2.gz UJYCATIKXYWAOR-LJQANCHMSA-N 1 3 339.439 2.149 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108678 468800811 /nfs/dbraw/zinc/80/08/11/468800811.db2.gz NUHRSHAGRRJDFX-KBAYOESNSA-N 1 3 348.487 2.236 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108678 468800815 /nfs/dbraw/zinc/80/08/15/468800815.db2.gz NUHRSHAGRRJDFX-KBAYOESNSA-N 1 3 348.487 2.236 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)C(C)C ZINC000649297080 470535098 /nfs/dbraw/zinc/53/50/98/470535098.db2.gz FTTNTTCRJGOKPQ-LSDHHAIUSA-N 1 3 329.435 2.046 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227331 782173684 /nfs/dbraw/zinc/17/36/84/782173684.db2.gz GCFUHRQAUBREAE-PKOBYXMFSA-N 1 3 331.504 2.006 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000970920885 676242582 /nfs/dbraw/zinc/24/25/82/676242582.db2.gz MTPDBDQMYZBLGZ-KRWDZBQOSA-N 1 3 345.531 2.348 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001024162179 679828851 /nfs/dbraw/zinc/82/88/51/679828851.db2.gz SFJIIHGFCUJWNP-YOEHRIQHSA-N 1 3 348.516 2.288 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984801127 685276209 /nfs/dbraw/zinc/27/62/09/685276209.db2.gz ZJTOSYBPWCNTDW-ATZDWAIDSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC000982555847 681641529 /nfs/dbraw/zinc/64/15/29/681641529.db2.gz FFKLMROHKSVGLM-ZCNNSNEGSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC000982555847 681641533 /nfs/dbraw/zinc/64/15/33/681641533.db2.gz FFKLMROHKSVGLM-ZCNNSNEGSA-N 1 3 349.494 2.003 20 30 EEEDHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001024998602 681693242 /nfs/dbraw/zinc/69/32/42/681693242.db2.gz GQVZCKDFTMBIKL-RHSMWYFYSA-N 1 3 348.516 2.431 20 30 EEEDHO CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025261232 682353913 /nfs/dbraw/zinc/35/39/13/682353913.db2.gz UHVANWJNNFAXCH-RTBURBONSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686920 685224628 /nfs/dbraw/zinc/22/46/28/685224628.db2.gz ZEZUYTOPEWTZTF-ZWKOTPCHSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686920 685224631 /nfs/dbraw/zinc/22/46/31/685224631.db2.gz ZEZUYTOPEWTZTF-ZWKOTPCHSA-N 1 3 331.504 2.243 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001088374728 1186698738 /nfs/dbraw/zinc/69/87/38/1186698738.db2.gz ONODWJNSKGBELZ-MRXNPFEDSA-N 1 3 327.900 2.442 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001034957125 1196917742 /nfs/dbraw/zinc/91/77/42/1196917742.db2.gz KIAQXTIZHFEWGR-GOSISDBHSA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)CC[NH+](C)C ZINC001133403864 1200865460 /nfs/dbraw/zinc/86/54/60/1200865460.db2.gz NLAMOOATLMGMPR-UHFFFAOYSA-N 1 3 335.879 2.233 20 30 EEEDHO CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000948710374 1209316565 /nfs/dbraw/zinc/31/65/65/1209316565.db2.gz APNZYKIKCKVGSJ-OALUTQOASA-N 1 3 333.520 2.445 20 30 EEEDHO CC#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948710374 1209316566 /nfs/dbraw/zinc/31/65/66/1209316566.db2.gz APNZYKIKCKVGSJ-OALUTQOASA-N 1 3 333.520 2.445 20 30 EEEDHO C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)CN1CCC[C@H]1C)CCO2 ZINC000949188852 1209569106 /nfs/dbraw/zinc/56/91/06/1209569106.db2.gz BPSABNWGLCFSLG-GOSISDBHSA-N 1 3 349.519 2.130 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961226616 1217097619 /nfs/dbraw/zinc/09/76/19/1217097619.db2.gz BXTLPGCCWGFIDT-OALUTQOASA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961226616 1217097622 /nfs/dbraw/zinc/09/76/22/1217097622.db2.gz BXTLPGCCWGFIDT-OALUTQOASA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961405146 1217177529 /nfs/dbraw/zinc/17/75/29/1217177529.db2.gz JALGXNLWSIJLAO-ICSRJNTNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961405146 1217177532 /nfs/dbraw/zinc/17/75/32/1217177532.db2.gz JALGXNLWSIJLAO-ICSRJNTNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357819 1217552595 /nfs/dbraw/zinc/55/25/95/1217552595.db2.gz AGKNTCVXSBPHFO-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357819 1217552600 /nfs/dbraw/zinc/55/26/00/1217552600.db2.gz AGKNTCVXSBPHFO-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384109 1217580777 /nfs/dbraw/zinc/58/07/77/1217580777.db2.gz QIBBAAJMLJJAML-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384109 1217580778 /nfs/dbraw/zinc/58/07/78/1217580778.db2.gz QIBBAAJMLJJAML-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681239 1221486969 /nfs/dbraw/zinc/48/69/69/1221486969.db2.gz HXKZIJQRJAFKEW-MJGOQNOKSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681239 1221486970 /nfs/dbraw/zinc/48/69/70/1221486970.db2.gz HXKZIJQRJAFKEW-MJGOQNOKSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(=C)C)CC[C@@H]2C)CC1 ZINC000968682356 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C#CCN1CCC[C@]2(CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001040543931 1231285088 /nfs/dbraw/zinc/28/50/88/1231285088.db2.gz RRHTVWZVFSGYCF-NRFANRHFSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040545076 1231285858 /nfs/dbraw/zinc/28/58/58/1231285858.db2.gz MQJOZDWEEWOQRV-OAQYLSRUSA-N 1 3 339.483 2.310 20 30 EEEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844455 1231728148 /nfs/dbraw/zinc/72/81/48/1231728148.db2.gz IUFZHBQEMIEXID-FQEVSTJZSA-N 1 3 327.472 2.472 20 30 EEEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844455 1231728150 /nfs/dbraw/zinc/72/81/50/1231728150.db2.gz IUFZHBQEMIEXID-FQEVSTJZSA-N 1 3 327.472 2.472 20 30 EEEDHO CC#CCN1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045590359 1233838699 /nfs/dbraw/zinc/83/86/99/1233838699.db2.gz YDTKQTGLNMHSCV-UHFFFAOYSA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001045951250 1234217722 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2.199 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141691 1247505068 /nfs/dbraw/zinc/50/50/68/1247505068.db2.gz NRNREIGVGYMRBV-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001054209728 1247726125 /nfs/dbraw/zinc/72/61/25/1247726125.db2.gz WKZUGDGJKOYBPE-ICSRJNTNSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209728 1247726129 /nfs/dbraw/zinc/72/61/29/1247726129.db2.gz WKZUGDGJKOYBPE-ICSRJNTNSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[C@@H]1C ZINC001071828680 1254691672 /nfs/dbraw/zinc/69/16/72/1254691672.db2.gz SIBQXQDAZMSEKQ-PXNSSMCTSA-N 1 3 341.499 2.397 20 30 EEEDHO C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245522 1282954888 /nfs/dbraw/zinc/95/48/88/1282954888.db2.gz BTDUJVNMEOYGAL-GOSISDBHSA-N 1 3 345.487 2.097 20 30 EEEDHO C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245522 1282954895 /nfs/dbraw/zinc/95/48/95/1282954895.db2.gz BTDUJVNMEOYGAL-GOSISDBHSA-N 1 3 345.487 2.097 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCCCC)C[C@H]32)CC1 ZINC001222046747 1299301407 /nfs/dbraw/zinc/30/14/07/1299301407.db2.gz UCDQRIINJXAESC-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCC)C[C@H]32)CC1 ZINC001222046747 1299301415 /nfs/dbraw/zinc/30/14/15/1299301415.db2.gz UCDQRIINJXAESC-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266618 1303133012 /nfs/dbraw/zinc/13/30/12/1303133012.db2.gz QICRDLJWOCTJJE-RTBURBONSA-N 1 3 327.472 2.402 20 30 EEEDHO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829135 1316894496 /nfs/dbraw/zinc/89/44/96/1316894496.db2.gz ZQHYOZHLSGZWIJ-MRXNPFEDSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001153829135 1316894498 /nfs/dbraw/zinc/89/44/98/1316894498.db2.gz ZQHYOZHLSGZWIJ-MRXNPFEDSA-N 1 3 342.487 2.369 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832236 1320970084 /nfs/dbraw/zinc/97/00/84/1320970084.db2.gz LWJGLWASJYCVRS-FQEVSTJZSA-N 1 3 341.499 2.011 20 30 EEEDHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001262562442 1322323504 /nfs/dbraw/zinc/32/35/04/1322323504.db2.gz AVPPLKLVPMFBCO-GPMSIDNRSA-N 1 3 331.460 2.071 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210182994 1325195438 /nfs/dbraw/zinc/19/54/38/1325195438.db2.gz JXCIKLYKHHZVIW-GOSISDBHSA-N 1 3 339.524 2.282 20 30 EEEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccc(SC)cc2)CC1 ZINC001338491697 1336867983 /nfs/dbraw/zinc/86/79/83/1336867983.db2.gz MJICUNQVOBNIRQ-QGZVFWFLSA-N 1 3 348.512 2.226 20 30 EEEDHO CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCCN1C ZINC001670214262 1356297760 /nfs/dbraw/zinc/29/77/60/1356297760.db2.gz ZYJIPZSSBGOGQQ-INIZCTEOSA-N 1 3 334.489 2.042 20 30 EEEDHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1)N(C)C ZINC001375519116 1377809523 /nfs/dbraw/zinc/80/95/23/1377809523.db2.gz PATWQXIJSWXGCZ-LESCRADOSA-N 1 3 346.450 2.022 20 30 EEEDHO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC001379505296 1380725902 /nfs/dbraw/zinc/72/59/02/1380725902.db2.gz CYNRLZFISLUIIO-INIZCTEOSA-N 1 3 342.487 2.417 20 30 EEEDHO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001401285746 1397120619 /nfs/dbraw/zinc/12/06/19/1397120619.db2.gz AVDDZKXTCCECTH-GXTWGEPZSA-N 1 3 346.313 2.063 20 30 EEEDHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccc(C#N)cc1 ZINC001422524011 1399984340 /nfs/dbraw/zinc/98/43/40/1399984340.db2.gz AHVUYYZACRUWSY-MRXNPFEDSA-N 1 3 340.471 2.123 20 30 EEEDHO N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691565046 1410396859 /nfs/dbraw/zinc/39/68/59/1410396859.db2.gz WVMGCZONESFSEJ-OALUTQOASA-N 1 3 342.487 2.426 20 30 EEEDHO N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691565046 1410396864 /nfs/dbraw/zinc/39/68/64/1410396864.db2.gz WVMGCZONESFSEJ-OALUTQOASA-N 1 3 342.487 2.426 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CN(C)CCCCCC)[C@H](O)C1 ZINC001100038700 1410514896 /nfs/dbraw/zinc/51/48/96/1410514896.db2.gz LTCHHBRXWSGISP-QZTJIDSGSA-N 1 3 339.524 2.016 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CN(C)CCCCCC)[C@H](O)C1 ZINC001100038700 1410514899 /nfs/dbraw/zinc/51/48/99/1410514899.db2.gz LTCHHBRXWSGISP-QZTJIDSGSA-N 1 3 339.524 2.016 20 30 EEEDHO C=C(Br)CNC1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100459291 1410655596 /nfs/dbraw/zinc/65/55/96/1410655596.db2.gz ZBUOERSKGPYEMJ-UHFFFAOYSA-N 1 3 346.313 2.110 20 30 EEEDHO C=C(Br)CNC1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100459291 1410655598 /nfs/dbraw/zinc/65/55/98/1410655598.db2.gz ZBUOERSKGPYEMJ-UHFFFAOYSA-N 1 3 346.313 2.110 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211627539 761261841 /nfs/dbraw/zinc/26/18/41/761261841.db2.gz JZMHPPMNTUXGIN-RBUKOAKNSA-N 1 3 341.499 2.324 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211627539 761261845 /nfs/dbraw/zinc/26/18/45/761261845.db2.gz JZMHPPMNTUXGIN-RBUKOAKNSA-N 1 3 341.499 2.324 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089858448 778465370 /nfs/dbraw/zinc/46/53/70/778465370.db2.gz AVOBTIRLTHXTIR-OKYOBFRVSA-N 1 3 345.531 2.463 20 30 EEEDHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089858448 778465373 /nfs/dbraw/zinc/46/53/73/778465373.db2.gz AVOBTIRLTHXTIR-OKYOBFRVSA-N 1 3 345.531 2.463 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000982281476 779527761 /nfs/dbraw/zinc/52/77/61/779527761.db2.gz YNEXLFOTNTZHDT-BGYRXZFFSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@]2(C)C1 ZINC000982305995 779657963 /nfs/dbraw/zinc/65/79/63/779657963.db2.gz CLUDEUJVPXXXLL-UKAVVXHISA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@]2(C)C1 ZINC000982305995 779657969 /nfs/dbraw/zinc/65/79/69/779657969.db2.gz CLUDEUJVPXXXLL-UKAVVXHISA-N 1 3 343.515 2.197 20 30 EEEDHO C[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261693962 780412704 /nfs/dbraw/zinc/41/27/04/780412704.db2.gz SAXRXPSNNALERJ-GVDBMIGSSA-N 1 3 348.535 2.374 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946807746 783532532 /nfs/dbraw/zinc/53/25/32/783532532.db2.gz DKMRBBWQIQPDLT-OTWHNJEPSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946807746 783532543 /nfs/dbraw/zinc/53/25/43/783532543.db2.gz DKMRBBWQIQPDLT-OTWHNJEPSA-N 1 3 331.504 2.053 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135742922 784349903 /nfs/dbraw/zinc/34/99/03/784349903.db2.gz AWIGWLDJMPPNPS-ZWKOTPCHSA-N 1 3 329.488 2.253 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743698 784352462 /nfs/dbraw/zinc/35/24/62/784352462.db2.gz ODJOSFWTSRNOEO-STQMWFEESA-N 1 3 334.302 2.110 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2 ZINC001035719842 785013047 /nfs/dbraw/zinc/01/30/47/785013047.db2.gz BRWDVXXJQRFTER-IBGZPJMESA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2 ZINC001035719842 785013056 /nfs/dbraw/zinc/01/30/56/785013056.db2.gz BRWDVXXJQRFTER-IBGZPJMESA-N 1 3 343.515 2.341 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C#N)C3CCCC3)CC2)CC1 ZINC000921548448 789386573 /nfs/dbraw/zinc/38/65/73/789386573.db2.gz JFFILAQPSYKPBI-IBGZPJMESA-N 1 3 346.519 2.381 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997435018 789904640 /nfs/dbraw/zinc/90/46/40/789904640.db2.gz SRNXQADKSQDVKL-MRXNPFEDSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997435018 789904642 /nfs/dbraw/zinc/90/46/42/789904642.db2.gz SRNXQADKSQDVKL-MRXNPFEDSA-N 1 3 327.472 2.212 20 30 EEEDHO C=CCN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C(F)(F)F ZINC000998284538 792464258 /nfs/dbraw/zinc/46/42/58/792464258.db2.gz YRIOIKQYYCMWRK-KGLIPLIRSA-N 1 3 345.409 2.170 20 30 EEEDHO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001086951196 793082943 /nfs/dbraw/zinc/08/29/43/793082943.db2.gz XBMWVIQVAKRXRF-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093223502 794878278 /nfs/dbraw/zinc/87/82/78/794878278.db2.gz ZWEQXAFGWQVVNN-VQIMIIECSA-N 1 3 327.472 2.069 20 30 EEEDHO C#CCC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093223502 794878285 /nfs/dbraw/zinc/87/82/85/794878285.db2.gz ZWEQXAFGWQVVNN-VQIMIIECSA-N 1 3 327.472 2.069 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545877 798315239 /nfs/dbraw/zinc/31/52/39/798315239.db2.gz WVQGMKPDGJBYKH-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545877 798315246 /nfs/dbraw/zinc/31/52/46/798315246.db2.gz WVQGMKPDGJBYKH-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C[C@H]1[C@@H](NCc2ccc(C#N)cc2F)CCN1C(=O)CCC[NH+](C)C ZINC001179435757 799921091 /nfs/dbraw/zinc/92/10/91/799921091.db2.gz VNDYZAXHGZPCHX-KSSFIOAISA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)CC1 ZINC001085432552 800496911 /nfs/dbraw/zinc/49/69/11/800496911.db2.gz DWSKBWVSGBRFDD-RTBURBONSA-N 1 3 331.504 2.149 20 30 EEEDHO C=C(C[NH+]1CCCC1)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001183086071 801449930 /nfs/dbraw/zinc/44/99/30/801449930.db2.gz QDBUWTUVPZPQFO-UHFFFAOYSA-N 1 3 342.487 2.062 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001184411559 802024077 /nfs/dbraw/zinc/02/40/77/802024077.db2.gz DVGMNYQTHRETTN-ROUUACIJSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001086278260 802660092 /nfs/dbraw/zinc/66/00/92/802660092.db2.gz OJQZSVHSPSEJTF-IZAXUBKRSA-N 1 3 331.504 2.006 20 30 EEEDHO C=C(Br)CNCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169941411 804227261 /nfs/dbraw/zinc/22/72/61/804227261.db2.gz RQYUFYHKTKSGET-UHFFFAOYSA-N 1 3 346.313 2.111 20 30 EEEDHO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361221 805358520 /nfs/dbraw/zinc/35/85/20/805358520.db2.gz OWDYYMHTKJZSFB-NCOADZHNSA-N 1 3 325.472 2.354 20 30 EEEDHO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361221 805358527 /nfs/dbraw/zinc/35/85/27/805358527.db2.gz OWDYYMHTKJZSFB-NCOADZHNSA-N 1 3 325.472 2.354 20 30 EEEDHO C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130430771 811629617 /nfs/dbraw/zinc/62/96/17/811629617.db2.gz IFINQDXOCPUVKX-RDJZCZTQSA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130430771 811629623 /nfs/dbraw/zinc/62/96/23/811629623.db2.gz IFINQDXOCPUVKX-RDJZCZTQSA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131605139 813007314 /nfs/dbraw/zinc/00/73/14/813007314.db2.gz ZHPBOVNLXQNJGM-QUCCMNQESA-N 1 3 349.519 2.034 20 30 EEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601551 781920592 /nfs/dbraw/zinc/92/05/92/781920592.db2.gz XHKQBKPNWNESGY-IPMKNSEASA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601551 781920603 /nfs/dbraw/zinc/92/06/03/781920603.db2.gz XHKQBKPNWNESGY-IPMKNSEASA-N 1 3 349.519 2.175 20 30 EEEDHO C#CCN1CCC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000491037238 468288729 /nfs/dbraw/zinc/28/87/29/468288729.db2.gz CIHALYKZVWPAGP-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074130101 462559666 /nfs/dbraw/zinc/55/96/66/462559666.db2.gz MCLKZJHDMDWDOK-KRWDZBQOSA-N 1 3 336.524 2.400 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000074130101 462559668 /nfs/dbraw/zinc/55/96/68/462559668.db2.gz MCLKZJHDMDWDOK-KRWDZBQOSA-N 1 3 336.524 2.400 20 30 EEEDHO C=C(C)COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC ZINC000077450082 462986484 /nfs/dbraw/zinc/98/64/84/462986484.db2.gz CDUAKNSTOHASHE-UHFFFAOYSA-N 1 3 334.460 2.196 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000057170890 463461499 /nfs/dbraw/zinc/46/14/99/463461499.db2.gz NRCAWWBATYLYDO-LJQANCHMSA-N 1 3 333.520 2.204 20 30 EEEDHO CCCCOc1ncccc1CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000264075641 464279548 /nfs/dbraw/zinc/27/95/48/464279548.db2.gz FQVKTPVAISXNSM-INIZCTEOSA-N 1 3 333.480 2.149 20 30 EEEDHO CN(C)CCNC(=O)c1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000174341299 464395840 /nfs/dbraw/zinc/39/58/40/464395840.db2.gz FBXBRIVKNHBOOC-UHFFFAOYSA-N 1 3 330.476 2.398 20 30 EEEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000361798521 466299579 /nfs/dbraw/zinc/29/95/79/466299579.db2.gz MUZUICVKQZYMIJ-MSOLQXFVSA-N 1 3 325.460 2.138 20 30 EEEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000361798521 466299582 /nfs/dbraw/zinc/29/95/82/466299582.db2.gz MUZUICVKQZYMIJ-MSOLQXFVSA-N 1 3 325.460 2.138 20 30 EEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)nc1 ZINC000361798521 466299589 /nfs/dbraw/zinc/29/95/89/466299589.db2.gz MUZUICVKQZYMIJ-MSOLQXFVSA-N 1 3 325.460 2.138 20 30 EEEDHO CCOC(=O)C1([C@H](C)NCc2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000591570848 468485068 /nfs/dbraw/zinc/48/50/68/468485068.db2.gz WHJOOCREEONNNP-ZDUSSCGKSA-N 1 3 333.407 2.108 20 30 EEEDHO Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1OCC[NH+]1CCCC1 ZINC000424148313 466990486 /nfs/dbraw/zinc/99/04/86/466990486.db2.gz UFIPFPYUROHYLM-QGZVFWFLSA-N 1 3 344.459 2.429 20 30 EEEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391687 468164742 /nfs/dbraw/zinc/16/47/42/468164742.db2.gz VGDJRZXHXLWHSW-OALUTQOASA-N 1 3 345.487 2.202 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000584108677 468800914 /nfs/dbraw/zinc/80/09/14/468800914.db2.gz NUHRSHAGRRJDFX-CGTJXYLNSA-N 1 3 348.487 2.236 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000584108677 468800916 /nfs/dbraw/zinc/80/09/16/468800916.db2.gz NUHRSHAGRRJDFX-CGTJXYLNSA-N 1 3 348.487 2.236 20 30 EEEDHO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCC(C)(C)C1 ZINC000571580216 468807871 /nfs/dbraw/zinc/80/78/71/468807871.db2.gz VUKXLFCDGPOOGZ-UHFFFAOYSA-N 1 3 342.487 2.180 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888866 679672565 /nfs/dbraw/zinc/67/25/65/679672565.db2.gz FBRKBHIQSXPHAG-PBHICJAKSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711621 676369752 /nfs/dbraw/zinc/36/97/52/676369752.db2.gz YYRHQNIYKQQJMH-VQTJNVASSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001023761807 679567441 /nfs/dbraw/zinc/56/74/41/679567441.db2.gz JUKWZYHEPSLHGZ-IBGZPJMESA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001023761807 679567444 /nfs/dbraw/zinc/56/74/44/679567444.db2.gz JUKWZYHEPSLHGZ-IBGZPJMESA-N 1 3 345.531 2.350 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001024900409 681557438 /nfs/dbraw/zinc/55/74/38/681557438.db2.gz DGCSOJMORJVFEZ-MOPGFXCFSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC000985155268 685990782 /nfs/dbraw/zinc/99/07/82/685990782.db2.gz SZJDDEHHMDXQCM-KESTWPANSA-N 1 3 343.515 2.316 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001029843185 687292949 /nfs/dbraw/zinc/29/29/49/687292949.db2.gz FHXJQWZPJAMJSA-OALUTQOASA-N 1 3 342.487 2.179 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001029843185 687292953 /nfs/dbraw/zinc/29/29/53/687292953.db2.gz FHXJQWZPJAMJSA-OALUTQOASA-N 1 3 342.487 2.179 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001027333636 687520249 /nfs/dbraw/zinc/52/02/49/687520249.db2.gz ZDPOYDPTMOSRAP-RTBURBONSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001027333636 687520256 /nfs/dbraw/zinc/52/02/56/687520256.db2.gz ZDPOYDPTMOSRAP-RTBURBONSA-N 1 3 340.471 2.075 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991013865 694186706 /nfs/dbraw/zinc/18/67/06/694186706.db2.gz AIUAHTCBOHQBSD-WSTZPKSXSA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991013865 694186708 /nfs/dbraw/zinc/18/67/08/694186708.db2.gz AIUAHTCBOHQBSD-WSTZPKSXSA-N 1 3 331.504 2.101 20 30 EEEDHO C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353852 688504017 /nfs/dbraw/zinc/50/40/17/688504017.db2.gz JPKAMCJKXMMZKD-HNAYVOBHSA-N 1 3 340.471 2.122 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001481505887 1181589363 /nfs/dbraw/zinc/58/93/63/1181589363.db2.gz UXSRDWMTHKTDBB-OAHLLOKOSA-N 1 3 348.516 2.242 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)Cc2ccc(C#N)s2)C1 ZINC001481505887 1181589368 /nfs/dbraw/zinc/58/93/68/1181589368.db2.gz UXSRDWMTHKTDBB-OAHLLOKOSA-N 1 3 348.516 2.242 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028771 1193333391 /nfs/dbraw/zinc/33/33/91/1193333391.db2.gz MSSWCPFFPASDEU-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028771 1193333393 /nfs/dbraw/zinc/33/33/93/1193333393.db2.gz MSSWCPFFPASDEU-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C=C(Cl)CNC[C@@]1(c2ccccc2)C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001105437202 1187088327 /nfs/dbraw/zinc/08/83/27/1187088327.db2.gz RBYZDXMHJZFPSS-IZAXUBKRSA-N 1 3 349.906 2.497 20 30 EEEDHO CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447607 1187206200 /nfs/dbraw/zinc/20/62/00/1187206200.db2.gz IUPRCRUDLUHBPX-TYKWCNGQSA-N 1 3 341.499 2.156 20 30 EEEDHO C=C(Br)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](CC)N(C)C ZINC001409458112 1189706238 /nfs/dbraw/zinc/70/62/38/1189706238.db2.gz 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332.492 2.155 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC001152334534 1316658087 /nfs/dbraw/zinc/65/80/87/1316658087.db2.gz GOCGQHADZDUVFU-UHFFFAOYSA-N 1 3 347.890 2.199 20 30 EEEDHO CN(C)CC#CC[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC001338488016 1336867754 /nfs/dbraw/zinc/86/77/54/1336867754.db2.gz IQBHRCJJSBRXFH-HXUWFJFHSA-N 1 3 338.451 2.248 20 30 EEEDHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2CCC)CCCO1 ZINC001200636387 1338484068 /nfs/dbraw/zinc/48/40/68/1338484068.db2.gz ZFEVPKPHDARHKR-QZTJIDSGSA-N 1 3 337.508 2.034 20 30 EEEDHO CC#CC[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001574973025 1343716203 /nfs/dbraw/zinc/71/62/03/1343716203.db2.gz RTAMLSMXKNIXDT-NXEWRWPSSA-N 1 3 339.483 2.429 20 30 EEEDHO CC#CC[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001574973025 1343716207 /nfs/dbraw/zinc/71/62/07/1343716207.db2.gz RTAMLSMXKNIXDT-NXEWRWPSSA-N 1 3 339.483 2.429 20 30 EEEDHO CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001121916272 1371932848 /nfs/dbraw/zinc/93/28/48/1371932848.db2.gz SYYXHKALXLORMC-ZACQAIPSSA-N 1 3 325.497 2.044 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001369188587 1374500406 /nfs/dbraw/zinc/50/04/06/1374500406.db2.gz CUTQYKKVUAENFD-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001369188587 1374500418 /nfs/dbraw/zinc/50/04/18/1374500418.db2.gz CUTQYKKVUAENFD-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC001575048591 1403531583 /nfs/dbraw/zinc/53/15/83/1403531583.db2.gz KSJDMYTVNYSSFK-LSDHHAIUSA-N 1 3 332.423 2.132 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001100676895 1410694781 /nfs/dbraw/zinc/69/47/81/1410694781.db2.gz UQVOYPSUBDYELV-MNNVXMFVSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673615 770050716 /nfs/dbraw/zinc/05/07/16/770050716.db2.gz SAGRAGMBFMDVJF-YZGWKJHDSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)CC(C)(C)C2)CC1 ZINC001089560632 770357918 /nfs/dbraw/zinc/35/79/18/770357918.db2.gz CLTMANPVXZUFGK-SFHVURJKSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC)CC(C)(C)C2)CC1 ZINC001089560632 770357929 /nfs/dbraw/zinc/35/79/29/770357929.db2.gz CLTMANPVXZUFGK-SFHVURJKSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723193 775931735 /nfs/dbraw/zinc/93/17/35/775931735.db2.gz SLUMLWOEVJUQTR-FXAWDEMLSA-N 1 3 341.499 2.397 20 30 EEEDHO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292283 779575330 /nfs/dbraw/zinc/57/53/30/779575330.db2.gz FDNJXEOIXOVCFZ-RLLQIKCJSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292283 779575338 /nfs/dbraw/zinc/57/53/38/779575338.db2.gz FDNJXEOIXOVCFZ-RLLQIKCJSA-N 1 3 331.504 2.055 20 30 EEEDHO C[C@@H](C[C@H](C)NC(=O)CC[NH+](C)C)NCc1cc(F)ccc1C#N ZINC001135373347 783663089 /nfs/dbraw/zinc/66/30/89/783663089.db2.gz VWKHEGTTYLXBQF-KBPBESRZSA-N 1 3 334.439 2.022 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135976504 784925905 /nfs/dbraw/zinc/92/59/05/784925905.db2.gz KNECUBRHYWWAJS-HZPDHXFCSA-N 1 3 330.476 2.273 20 30 EEEDHO C=CCc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc(OC)c1OC ZINC000817909440 785061760 /nfs/dbraw/zinc/06/17/60/785061760.db2.gz QZKKKJWCEAHBKH-IAOVAPTHSA-N 1 3 334.460 2.274 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035812684 785213209 /nfs/dbraw/zinc/21/32/09/785213209.db2.gz QSSBJUJFNWDDBV-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001109635755 805810556 /nfs/dbraw/zinc/81/05/56/805810556.db2.gz PWVZTPBUFWOBRO-YRXWBPOGSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001109635755 805810564 /nfs/dbraw/zinc/81/05/64/805810564.db2.gz PWVZTPBUFWOBRO-YRXWBPOGSA-N 1 3 349.519 2.033 20 30 EEEDHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997005203 788432787 /nfs/dbraw/zinc/43/27/87/788432787.db2.gz HQADTNRUUDXYOL-AWEZNQCLSA-N 1 3 346.500 2.042 20 30 EEEDHO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146584530 791337281 /nfs/dbraw/zinc/33/72/81/791337281.db2.gz TWGQRCTZOHXECR-IRXDYDNUSA-N 1 3 347.503 2.437 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC000998308288 792538649 /nfs/dbraw/zinc/53/86/49/792538649.db2.gz YXMQKVPZHQITHV-ZIAGYGMSSA-N 1 3 345.409 2.027 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1cccc(F)c1 ZINC001079198858 794446085 /nfs/dbraw/zinc/44/60/85/794446085.db2.gz VXTHNJVYKROSOS-AYOQOUSVSA-N 1 3 345.462 2.380 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)CCC=C)CC1 ZINC001110147134 795384395 /nfs/dbraw/zinc/38/43/95/795384395.db2.gz MEUZXUMRVLYLSS-RNQOJCNYSA-N 1 3 343.515 2.408 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)CCC=C)CC1 ZINC001110147134 795384403 /nfs/dbraw/zinc/38/44/03/795384403.db2.gz MEUZXUMRVLYLSS-RNQOJCNYSA-N 1 3 343.515 2.408 20 30 EEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441101 796014354 /nfs/dbraw/zinc/01/43/54/796014354.db2.gz AAOSKBTYMVOFHU-IIDMSEBBSA-N 1 3 325.472 2.212 20 30 EEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441101 796014362 /nfs/dbraw/zinc/01/43/62/796014362.db2.gz AAOSKBTYMVOFHU-IIDMSEBBSA-N 1 3 325.472 2.212 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001081128219 796660157 /nfs/dbraw/zinc/66/01/57/796660157.db2.gz MUHCEEDLRIKPSE-OTWHNJEPSA-N 1 3 329.488 2.343 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819769 797025409 /nfs/dbraw/zinc/02/54/09/797025409.db2.gz RKKILXZFMQMHAN-IAGOWNOFSA-N 1 3 349.906 2.101 20 30 EEEDHO N#Cc1ccc(C(=O)N2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC001173421642 797441060 /nfs/dbraw/zinc/44/10/60/797441060.db2.gz ZLDWOKFMFVBFHL-UHFFFAOYSA-N 1 3 340.471 2.238 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203255807 797515095 /nfs/dbraw/zinc/51/50/95/797515095.db2.gz FHISRFZIHGQRQJ-SJORKVTESA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)Cl)CC1 ZINC001176747206 798547452 /nfs/dbraw/zinc/54/74/52/798547452.db2.gz VIBMMXVOTIJCHO-INIZCTEOSA-N 1 3 339.911 2.349 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ccccc2Cl)CC1 ZINC001176926676 798631179 /nfs/dbraw/zinc/63/11/79/798631179.db2.gz SMCALHUOSSFSLH-UHFFFAOYSA-N 1 3 347.890 2.281 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986993 801839995 /nfs/dbraw/zinc/83/99/95/801839995.db2.gz REINRHIMKNAAIK-IBGZPJMESA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986993 801840006 /nfs/dbraw/zinc/84/00/06/801840006.db2.gz REINRHIMKNAAIK-IBGZPJMESA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549378 802351540 /nfs/dbraw/zinc/35/15/40/802351540.db2.gz YOERFWNGTGKMAP-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549378 802351551 /nfs/dbraw/zinc/35/15/51/802351551.db2.gz YOERFWNGTGKMAP-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086253418 802614913 /nfs/dbraw/zinc/61/49/13/802614913.db2.gz GAQABJVSTLVGHZ-JONQDZQNSA-N 1 3 327.900 2.344 20 30 EEEDHO C=C(Cl)CN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001441198868 1094558063 /nfs/dbraw/zinc/55/80/63/1094558063.db2.gz SDRFXMFRWDTZTC-HNNXBMFYSA-N 1 3 327.900 2.488 20 30 EEEDHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001480770229 1107082489 /nfs/dbraw/zinc/08/24/89/1107082489.db2.gz PUPJXFFIACXIJI-HNNXBMFYSA-N 1 3 328.460 2.027 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001507293180 1115177221 /nfs/dbraw/zinc/17/72/21/1115177221.db2.gz PHKGVYKMFULASP-RDTXWAMCSA-N 1 3 346.450 2.118 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001507293420 1115177890 /nfs/dbraw/zinc/17/78/90/1115177890.db2.gz RTABMCGZUMOGDA-PBHICJAKSA-N 1 3 348.516 2.431 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@H]1C ZINC001507293420 1115177892 /nfs/dbraw/zinc/17/78/92/1115177892.db2.gz RTABMCGZUMOGDA-PBHICJAKSA-N 1 3 348.516 2.431 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001507329853 1115195885 /nfs/dbraw/zinc/19/58/85/1115195885.db2.gz WYURFPBJWRWUBP-UONOGXRCSA-N 1 3 334.489 2.041 20 30 EEEDHO C=CCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821548 218171324 /nfs/dbraw/zinc/17/13/24/218171324.db2.gz QQSVFTGEXKNRDP-INIZCTEOSA-N 1 3 330.476 2.311 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000280449467 268083577 /nfs/dbraw/zinc/08/35/77/268083577.db2.gz RISIJMUNRHWKGV-OALUTQOASA-N 1 3 336.439 2.185 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000074130103 462559804 /nfs/dbraw/zinc/55/98/04/462559804.db2.gz MCLKZJHDMDWDOK-QGZVFWFLSA-N 1 3 336.524 2.400 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000074130103 462559808 /nfs/dbraw/zinc/55/98/08/462559808.db2.gz MCLKZJHDMDWDOK-QGZVFWFLSA-N 1 3 336.524 2.400 20 30 EEEDHO C[C@@H]1CN(CC2CC[NH+](CCCSCC#N)CC2)C[C@@H](C)O1 ZINC000080628093 463339395 /nfs/dbraw/zinc/33/93/95/463339395.db2.gz PELHVBQAPLLARY-HZPDHXFCSA-N 1 3 325.522 2.454 20 30 EEEDHO CC[C@H](CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)N1CCCC1 ZINC000264120865 464285634 /nfs/dbraw/zinc/28/56/34/464285634.db2.gz UXBXTUJZIQIYSE-MRXNPFEDSA-N 1 3 348.491 2.025 20 30 EEEDHO CC(C)CCNC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190537433 464670255 /nfs/dbraw/zinc/67/02/55/464670255.db2.gz WCQOYYZNNCBPMA-GOSISDBHSA-N 1 3 332.492 2.228 20 30 EEEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C(C)C ZINC000359218224 465387058 /nfs/dbraw/zinc/38/70/58/465387058.db2.gz DFJUPZCAVJOZQY-WMZOPIPTSA-N 1 3 334.508 2.221 20 30 EEEDHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570877 468484735 /nfs/dbraw/zinc/48/47/35/468484735.db2.gz YMFARKQWEKWYKF-UZLBHIALSA-N 1 3 349.482 2.470 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000417059874 466767618 /nfs/dbraw/zinc/76/76/18/466767618.db2.gz IVDBXQIXXNNNSH-WMZOPIPTSA-N 1 3 336.524 2.454 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376744327 466929089 /nfs/dbraw/zinc/92/90/89/466929089.db2.gz SAKNAFHGZYTDJL-WMZOPIPTSA-N 1 3 334.508 2.295 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000490594220 468224048 /nfs/dbraw/zinc/22/40/48/468224048.db2.gz NMLQPSTUHBZNHF-YLJYHZDGSA-N 1 3 339.483 2.283 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000490594220 468224051 /nfs/dbraw/zinc/22/40/51/468224051.db2.gz NMLQPSTUHBZNHF-YLJYHZDGSA-N 1 3 339.483 2.283 20 30 EEEDHO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1C#N)CN1CCCC1 ZINC000600735858 468643303 /nfs/dbraw/zinc/64/33/03/468643303.db2.gz WCMIIEPPAMQGRQ-KRWDZBQOSA-N 1 3 331.460 2.010 20 30 EEEDHO C=C(CN(C)C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000764629686 577740374 /nfs/dbraw/zinc/74/03/74/577740374.db2.gz MQWJFQWRDDIQHA-HZPDHXFCSA-N 1 3 329.488 2.377 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCC=C)CC1 ZINC000969156568 674648421 /nfs/dbraw/zinc/64/84/21/674648421.db2.gz WURFZENIEQQTTH-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC=C)CC1 ZINC000969156568 674648424 /nfs/dbraw/zinc/64/84/24/674648424.db2.gz WURFZENIEQQTTH-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021087635 675714792 /nfs/dbraw/zinc/71/47/92/675714792.db2.gz DOUQYEXSECJKDW-AAVRWANBSA-N 1 3 344.297 2.005 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C)c3)C2)CC1 ZINC001023127748 679135776 /nfs/dbraw/zinc/13/57/76/679135776.db2.gz CALSGYRPOUYNSY-BGYRXZFFSA-N 1 3 339.483 2.077 20 30 EEEDHO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3CC)C[C@@]2(C)C1 ZINC000982833414 681356490 /nfs/dbraw/zinc/35/64/90/681356490.db2.gz KHENMGUESMGZAO-RLLQIKCJSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3CC)C[C@@]2(C)C1 ZINC000982833414 681356492 /nfs/dbraw/zinc/35/64/92/681356492.db2.gz KHENMGUESMGZAO-RLLQIKCJSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC000982555843 681641440 /nfs/dbraw/zinc/64/14/40/681641440.db2.gz FFKLMROHKSVGLM-HSALFYBXSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@]2(C)C1 ZINC000982555843 681641442 /nfs/dbraw/zinc/64/14/42/681641442.db2.gz FFKLMROHKSVGLM-HSALFYBXSA-N 1 3 349.494 2.003 20 30 EEEDHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C 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ZINC001004584936 802423475 /nfs/dbraw/zinc/42/34/75/802423475.db2.gz CMSDSPCDMDZXHF-LJQANCHMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584936 802423482 /nfs/dbraw/zinc/42/34/82/802423482.db2.gz CMSDSPCDMDZXHF-LJQANCHMSA-N 1 3 331.504 2.055 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001441828503 1095881814 /nfs/dbraw/zinc/88/18/14/1095881814.db2.gz RXJYNXDCNHFQIK-XJKSGUPXSA-N 1 3 334.489 2.041 20 30 EEEDHO C=CCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821549 218172609 /nfs/dbraw/zinc/17/26/09/218172609.db2.gz QQSVFTGEXKNRDP-MRXNPFEDSA-N 1 3 330.476 2.311 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000332951780 268087008 /nfs/dbraw/zinc/08/70/08/268087008.db2.gz XADDPOFYKKFDAB-ROUUACIJSA-N 1 3 336.439 2.374 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000332951780 268087010 /nfs/dbraw/zinc/08/70/10/268087010.db2.gz XADDPOFYKKFDAB-ROUUACIJSA-N 1 3 336.439 2.374 20 30 EEEDHO N#C[C@@H]1CC[C@H](N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000339050606 465052717 /nfs/dbraw/zinc/05/27/17/465052717.db2.gz RKEILLOJVQFEIY-MJGOQNOKSA-N 1 3 346.519 2.383 20 30 EEEDHO CC(C#N)C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000342369276 465315189 /nfs/dbraw/zinc/31/51/89/465315189.db2.gz GPJALNOQWUKYPW-YESZJQIVSA-N 1 3 343.471 2.472 20 30 EEEDHO CC(C#N)C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000342369276 465315193 /nfs/dbraw/zinc/31/51/93/465315193.db2.gz GPJALNOQWUKYPW-YESZJQIVSA-N 1 3 343.471 2.472 20 30 EEEDHO N#Cc1ccc([C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000156613885 463048235 /nfs/dbraw/zinc/04/82/35/463048235.db2.gz ZFYJATIMTSPMJH-HXUWFJFHSA-N 1 3 343.471 2.168 20 30 EEEDHO C=CCC[C@H](O)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000127128519 463683586 /nfs/dbraw/zinc/68/35/86/463683586.db2.gz JRYRYLKIPHFNGR-FQEVSTJZSA-N 1 3 331.504 2.063 20 30 EEEDHO CC(C)C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000280791105 464254034 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EEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424147776 466990895 /nfs/dbraw/zinc/99/08/95/466990895.db2.gz SEROXRMZAVPQEB-NXHRZFHOSA-N 1 3 328.460 2.034 20 30 EEEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000424164041 466994352 /nfs/dbraw/zinc/99/43/52/466994352.db2.gz WGAFKTPVULUHKU-QYZOEREBSA-N 1 3 342.487 2.206 20 30 EEEDHO C=C[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000495178237 534547224 /nfs/dbraw/zinc/54/72/24/534547224.db2.gz YGMDGEGZNDYSFR-QGZVFWFLSA-N 1 3 334.508 2.295 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000371042521 526586437 /nfs/dbraw/zinc/58/64/37/526586437.db2.gz JCRUZTXVVVFSMO-SFHVURJKSA-N 1 3 348.535 2.400 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000106276026 526588502 /nfs/dbraw/zinc/58/85/02/526588502.db2.gz NNJHYSUXAXQZCL-UHFFFAOYSA-N 1 3 336.524 2.448 20 30 EEEDHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000349988394 528174452 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C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001226161210 1301281234 /nfs/dbraw/zinc/28/12/34/1301281234.db2.gz NQLGVIFHYAHVTQ-KZNAEPCWSA-N 1 3 337.508 2.079 20 30 EEEDHO C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)N(C)CC)C1 ZINC001149937466 1316097227 /nfs/dbraw/zinc/09/72/27/1316097227.db2.gz SJBRZZOMGOXTQU-IRXDYDNUSA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)N(C)CC)C1 ZINC001149937466 1316097231 /nfs/dbraw/zinc/09/72/31/1316097231.db2.gz SJBRZZOMGOXTQU-IRXDYDNUSA-N 1 3 339.524 2.279 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001150023956 1316130471 /nfs/dbraw/zinc/13/04/71/1316130471.db2.gz ZZKZGDKUTOVFAL-OALUTQOASA-N 1 3 349.519 2.034 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001150023956 1316130473 /nfs/dbraw/zinc/13/04/73/1316130473.db2.gz ZZKZGDKUTOVFAL-OALUTQOASA-N 1 3 349.519 2.034 20 30 EEEDHO C=CCOC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252493742 1317616978 /nfs/dbraw/zinc/61/69/78/1317616978.db2.gz SOWMUSAACNHMPQ-HAGHYFMRSA-N 1 3 330.472 2.335 20 30 EEEDHO C=CCOC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252493742 1317616981 /nfs/dbraw/zinc/61/69/81/1317616981.db2.gz SOWMUSAACNHMPQ-HAGHYFMRSA-N 1 3 330.472 2.335 20 30 EEEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155621006 1317677720 /nfs/dbraw/zinc/67/77/20/1317677720.db2.gz LDXBPNVOLMQBNP-QZTJIDSGSA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001155621006 1317677722 /nfs/dbraw/zinc/67/77/22/1317677722.db2.gz LDXBPNVOLMQBNP-QZTJIDSGSA-N 1 3 339.524 2.279 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156373818 1317983791 /nfs/dbraw/zinc/98/37/91/1317983791.db2.gz ATGVDTICFPAYGN-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156373818 1317983795 /nfs/dbraw/zinc/98/37/95/1317983795.db2.gz ATGVDTICFPAYGN-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC(C)C)C23CCC3)CC1 ZINC001203774234 1321958440 /nfs/dbraw/zinc/95/84/40/1321958440.db2.gz ZJCQMAKVCWJUPA-RTBURBONSA-N 1 3 345.531 2.395 20 30 EEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)CN(C)CCCCCC)[C@H](O)C1 ZINC001100038390 1337948110 /nfs/dbraw/zinc/94/81/10/1337948110.db2.gz IWGVXDRPIVIRMY-ZWKOTPCHSA-N 1 3 339.524 2.016 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCCCCC)[C@H](O)C1 ZINC001100038390 1337948112 /nfs/dbraw/zinc/94/81/12/1337948112.db2.gz IWGVXDRPIVIRMY-ZWKOTPCHSA-N 1 3 339.524 2.016 20 30 EEEDHO C[NH+](C)CCCC(=O)NCC1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001100618825 1338554762 /nfs/dbraw/zinc/55/47/62/1338554762.db2.gz ZQYLLAMSCXYOPM-UHFFFAOYSA-N 1 3 345.462 2.003 20 30 EEEDHO C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CC[NH+](C)CC1 ZINC001588648760 1348927431 /nfs/dbraw/zinc/92/74/31/1348927431.db2.gz QDPPJJCRZCKDLO-UHFFFAOYSA-N 1 3 326.448 2.197 20 30 EEEDHO C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CC[NH+](C)CC1 ZINC001588648760 1348927436 /nfs/dbraw/zinc/92/74/36/1348927436.db2.gz QDPPJJCRZCKDLO-UHFFFAOYSA-N 1 3 326.448 2.197 20 30 EEEDHO C[C@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001375111556 1377380247 /nfs/dbraw/zinc/38/02/47/1377380247.db2.gz HEKYCUREANLLIV-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC001400228534 1396077446 /nfs/dbraw/zinc/07/74/46/1396077446.db2.gz MSZSXPWXYIZWGC-HNNXBMFYSA-N 1 3 348.516 2.242 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001400228534 1396077454 /nfs/dbraw/zinc/07/74/54/1396077454.db2.gz MSZSXPWXYIZWGC-HNNXBMFYSA-N 1 3 348.516 2.242 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001755619839 1407686695 /nfs/dbraw/zinc/68/66/95/1407686695.db2.gz ZUQUWFVJQCFJQW-INIZCTEOSA-N 1 3 345.462 2.107 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H](C)F)[C@@H]2CC)CC1 ZINC001087839956 782348206 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331.504 2.073 20 30 EEEDHO C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089860925 780865438 /nfs/dbraw/zinc/86/54/38/780865438.db2.gz CNHLMQSXLACLII-MHORFTMASA-N 1 3 331.504 2.073 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105395811 781888760 /nfs/dbraw/zinc/88/87/60/781888760.db2.gz FRNGNEZUJXWZQQ-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105395811 781888771 /nfs/dbraw/zinc/88/87/71/781888771.db2.gz FRNGNEZUJXWZQQ-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1ccccc1C#N ZINC001135314631 783597086 /nfs/dbraw/zinc/59/70/86/783597086.db2.gz DSSYGOKZKRTYFX-CVEARBPZSA-N 1 3 330.476 2.273 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594828 791365841 /nfs/dbraw/zinc/36/58/41/791365841.db2.gz VHRVLCRRQQXLGL-QZTJIDSGSA-N 1 3 329.488 2.251 20 30 EEEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001086923208 792992524 /nfs/dbraw/zinc/99/25/24/792992524.db2.gz LXGILIPRPGTVOD-MJGOQNOKSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300314 793776561 /nfs/dbraw/zinc/77/65/61/793776561.db2.gz VCCCULWUWAWRTL-NQIIRXRSSA-N 1 3 339.483 2.165 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300314 793776566 /nfs/dbraw/zinc/77/65/66/793776566.db2.gz VCCCULWUWAWRTL-NQIIRXRSSA-N 1 3 339.483 2.165 20 30 EEEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112540205 794076096 /nfs/dbraw/zinc/07/60/96/794076096.db2.gz KZUGQRGHAYEEBM-DYXWJJEUSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C/CC)CC1 ZINC001110147213 795388077 /nfs/dbraw/zinc/38/80/77/795388077.db2.gz PWEOJYXLRPQNSA-UOUNDWCUSA-N 1 3 343.515 2.409 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C/CC)CC1 ZINC001110147213 795388085 /nfs/dbraw/zinc/38/80/85/795388085.db2.gz PWEOJYXLRPQNSA-UOUNDWCUSA-N 1 3 343.515 2.409 20 30 EEEDHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106779794 796519103 /nfs/dbraw/zinc/51/91/03/796519103.db2.gz WNZMRPDUVVJEAS-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)[C@@H]2C)CC1 ZINC000994501152 798107264 /nfs/dbraw/zinc/10/72/64/798107264.db2.gz SEPPHIMQSKNYNR-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C)CC1 ZINC000994501152 798107267 /nfs/dbraw/zinc/10/72/67/798107267.db2.gz SEPPHIMQSKNYNR-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001016331713 798593715 /nfs/dbraw/zinc/59/37/15/798593715.db2.gz KTPYBXFIBJQWPJ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001016331713 798593718 /nfs/dbraw/zinc/59/37/18/798593718.db2.gz KTPYBXFIBJQWPJ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001176926573 798631147 /nfs/dbraw/zinc/63/11/47/798631147.db2.gz PQWLAHLXMCAOOT-INIZCTEOSA-N 1 3 345.462 2.328 20 30 EEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339390 798873280 /nfs/dbraw/zinc/87/32/80/798873280.db2.gz FEQLWKKNUYBYSJ-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]C[C@H](F)CC)CC1 ZINC001180360895 800378338 /nfs/dbraw/zinc/37/83/38/800378338.db2.gz PHSDXCPYGGZIAW-GOSISDBHSA-N 1 3 339.499 2.346 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497466 803129247 /nfs/dbraw/zinc/12/92/47/803129247.db2.gz NDTIMGULEJYQAL-JYJNAYRXSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086497466 803129249 /nfs/dbraw/zinc/12/92/49/803129249.db2.gz NDTIMGULEJYQAL-JYJNAYRXSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717592 804387516 /nfs/dbraw/zinc/38/75/16/804387516.db2.gz PONNTKFWCCKIJB-ZNMIVQPWSA-N 1 3 327.900 2.438 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620179 810648247 /nfs/dbraw/zinc/64/82/47/810648247.db2.gz BLGAMVYWZMDDCG-RBUKOAKNSA-N 1 3 339.483 2.243 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296759208 465232832 /nfs/dbraw/zinc/23/28/32/465232832.db2.gz FQIZKDQQLZGXLI-UHFFFAOYSA-N 1 3 342.487 2.037 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000068810556 463178949 /nfs/dbraw/zinc/17/89/49/463178949.db2.gz LPSDGGZFSOAKJL-UHFFFAOYSA-N 1 3 331.504 2.102 20 30 EEEDHO C[C@@H](C(=O)N(C)CCC#N)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121722002 463183878 /nfs/dbraw/zinc/18/38/78/463183878.db2.gz BRCVWJZLGYDKSP-KRWDZBQOSA-N 1 3 334.508 2.335 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000283005457 463731116 /nfs/dbraw/zinc/73/11/16/463731116.db2.gz RMZXVHNYHFUIDN-SFHVURJKSA-N 1 3 347.890 2.404 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000172584869 464111312 /nfs/dbraw/zinc/11/13/12/464111312.db2.gz XDUBNRSKPIPXFD-UHFFFAOYSA-N 1 3 334.508 2.297 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172584869 464111315 /nfs/dbraw/zinc/11/13/15/464111315.db2.gz XDUBNRSKPIPXFD-UHFFFAOYSA-N 1 3 334.508 2.297 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(OC)c(OC)c1 ZINC000264068317 464279341 /nfs/dbraw/zinc/27/93/41/464279341.db2.gz CEEMQUJNBDIQFT-INIZCTEOSA-N 1 3 348.491 2.025 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(=O)C(C)C)cc1 ZINC000264153324 464288868 /nfs/dbraw/zinc/28/88/68/464288868.db2.gz ZVZSISLRHKNUPC-QGZVFWFLSA-N 1 3 345.491 2.170 20 30 EEEDHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424181656 466998668 /nfs/dbraw/zinc/99/86/68/466998668.db2.gz ROFNHILNEYBHSX-WMZOPIPTSA-N 1 3 328.460 2.131 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488801917 468105749 /nfs/dbraw/zinc/10/57/49/468105749.db2.gz QIHFBELFBBBEFR-LZLYRXPVSA-N 1 3 334.508 2.009 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000488801917 468105752 /nfs/dbraw/zinc/10/57/52/468105752.db2.gz QIHFBELFBBBEFR-LZLYRXPVSA-N 1 3 334.508 2.009 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000583072936 468638540 /nfs/dbraw/zinc/63/85/40/468638540.db2.gz ZZFNGZBAXHMZAR-HNNXBMFYSA-N 1 3 343.475 2.060 20 30 EEEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(N)Cc2ccccc2C1)C(C)C ZINC000649297181 470534613 /nfs/dbraw/zinc/53/46/13/470534613.db2.gz RBYSICFVRJFGRA-IBGZPJMESA-N 1 3 341.499 2.298 20 30 EEEDHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000971686665 676740472 /nfs/dbraw/zinc/74/04/72/676740472.db2.gz DGYDDYBADQRWNS-IBGZPJMESA-N 1 3 340.471 2.075 20 30 EEEDHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000971686665 676740473 /nfs/dbraw/zinc/74/04/73/676740473.db2.gz DGYDDYBADQRWNS-IBGZPJMESA-N 1 3 340.471 2.075 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746274 678398753 /nfs/dbraw/zinc/39/87/53/678398753.db2.gz KSXGOGDZAJIIDK-XDNAFOTISA-N 1 3 347.890 2.321 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746274 678398758 /nfs/dbraw/zinc/39/87/58/678398758.db2.gz KSXGOGDZAJIIDK-XDNAFOTISA-N 1 3 347.890 2.321 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023122775 679133691 /nfs/dbraw/zinc/13/36/91/679133691.db2.gz DOUQYEXSECJKDW-SYQHCUMBSA-N 1 3 344.297 2.005 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023130934 679137564 /nfs/dbraw/zinc/13/75/64/679137564.db2.gz NZMQLNTWBQWROP-CEXWTWQISA-N 1 3 340.471 2.169 20 30 EEEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023553124 679374456 /nfs/dbraw/zinc/37/44/56/679374456.db2.gz VWNGVYWHPHFLFS-IEBWSBKVSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023553124 679374457 /nfs/dbraw/zinc/37/44/57/679374457.db2.gz VWNGVYWHPHFLFS-IEBWSBKVSA-N 1 3 331.504 2.245 20 30 EEEDHO C[NH+]=C(NCCOC1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262448507 686110427 /nfs/dbraw/zinc/11/04/27/686110427.db2.gz JIRINGQCJARKJC-QGZVFWFLSA-N 1 3 336.524 2.471 20 30 EEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563520 1188179901 /nfs/dbraw/zinc/17/99/01/1188179901.db2.gz ONLNFQGEUGGWPC-ROUUACIJSA-N 1 3 331.504 2.102 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170749976 1199559830 /nfs/dbraw/zinc/55/98/30/1199559830.db2.gz FEOXTDRKOQQYLM-ROUUACIJSA-N 1 3 339.524 2.326 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001134608107 1199700248 /nfs/dbraw/zinc/70/02/48/1199700248.db2.gz QVQZNPSXOGRNNG-CVEARBPZSA-N 1 3 342.487 2.415 20 30 EEEDHO C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1ccccc1C#N ZINC001133090918 1200432573 /nfs/dbraw/zinc/43/25/73/1200432573.db2.gz MDCSQXUGEWTXAO-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C)CC1 ZINC001133403809 1200865740 /nfs/dbraw/zinc/86/57/40/1200865740.db2.gz KGARBCHVPGMQTE-UHFFFAOYSA-N 1 3 347.890 2.233 20 30 EEEDHO Cn1cc(C[NH2+][C@@]23CC[C@@](NCc4cnc[nH]4)(C2)CCC3)cc1C#N ZINC001276203988 1205831277 /nfs/dbraw/zinc/83/12/77/1205831277.db2.gz HSAXXDDPMZHTLG-RBUKOAKNSA-N 1 3 338.459 2.345 20 30 EEEDHO C=CCC[NH+]1CCC2(CC1)CN(C(=O)CN1[C@H](C)CC[C@@H]1C)CCO2 ZINC000949250865 1209594560 /nfs/dbraw/zinc/59/45/60/1209594560.db2.gz BIPIMFSFCGNJHD-HDICACEKSA-N 1 3 349.519 2.129 20 30 EEEDHO CCCCNC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000303905134 1213923679 /nfs/dbraw/zinc/92/36/79/1213923679.db2.gz VJCYLPUHAXFEOD-UHFFFAOYSA-N 1 3 345.535 2.289 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957560409 1215211091 /nfs/dbraw/zinc/21/10/91/1215211091.db2.gz ZFXSJZUQOZICOL-UHFFFAOYSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961373061 1217162752 /nfs/dbraw/zinc/16/27/52/1217162752.db2.gz FWKLGQPOGHWDOD-RTBURBONSA-N 1 3 333.520 2.463 20 30 EEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961373061 1217162755 /nfs/dbraw/zinc/16/27/55/1217162755.db2.gz FWKLGQPOGHWDOD-RTBURBONSA-N 1 3 333.520 2.463 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315508 1217508161 /nfs/dbraw/zinc/50/81/61/1217508161.db2.gz UTEXWVYXXLCXHZ-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315508 1217508164 /nfs/dbraw/zinc/50/81/64/1217508164.db2.gz UTEXWVYXXLCXHZ-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000962304686 1217602155 /nfs/dbraw/zinc/60/21/55/1217602155.db2.gz CAQANJHJTQVOOT-MNNVXMFVSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C)CC1 ZINC000968681241 1221487780 /nfs/dbraw/zinc/48/77/80/1221487780.db2.gz HXKZIJQRJAFKEW-PKOBYXMFSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)CC1 ZINC000968681241 1221487783 /nfs/dbraw/zinc/48/77/83/1221487783.db2.gz HXKZIJQRJAFKEW-PKOBYXMFSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001016336092 1226359164 /nfs/dbraw/zinc/35/91/64/1226359164.db2.gz IBUOFZJBERHQDP-HXUWFJFHSA-N 1 3 343.515 2.413 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC001016336092 1226359171 /nfs/dbraw/zinc/35/91/71/1226359171.db2.gz IBUOFZJBERHQDP-HXUWFJFHSA-N 1 3 343.515 2.413 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042696 1230258944 /nfs/dbraw/zinc/25/89/44/1230258944.db2.gz WEMIUCBFGCADEB-LJQANCHMSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042696 1230258947 /nfs/dbraw/zinc/25/89/47/1230258947.db2.gz WEMIUCBFGCADEB-LJQANCHMSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039133325 1230342463 /nfs/dbraw/zinc/34/24/63/1230342463.db2.gz GTKSATYGGSICAG-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039133325 1230342467 /nfs/dbraw/zinc/34/24/67/1230342467.db2.gz GTKSATYGGSICAG-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163413 1230385335 /nfs/dbraw/zinc/38/53/35/1230385335.db2.gz CLDYDCVUQXPINX-PKOBYXMFSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163413 1230385339 /nfs/dbraw/zinc/38/53/39/1230385339.db2.gz CLDYDCVUQXPINX-PKOBYXMFSA-N 1 3 333.520 2.465 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041360454 1231519483 /nfs/dbraw/zinc/51/94/83/1231519483.db2.gz YMEFYDPXCZALQJ-AZUAARDMSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041360454 1231519486 /nfs/dbraw/zinc/51/94/86/1231519486.db2.gz YMEFYDPXCZALQJ-AZUAARDMSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041584653 1231608871 /nfs/dbraw/zinc/60/88/71/1231608871.db2.gz BWRHIPAQUSAAAI-QUCCMNQESA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041584653 1231608874 /nfs/dbraw/zinc/60/88/74/1231608874.db2.gz BWRHIPAQUSAAAI-QUCCMNQESA-N 1 3 331.504 2.056 20 30 EEEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041843273 1231726839 /nfs/dbraw/zinc/72/68/39/1231726839.db2.gz NTIGMKWAFDEQAY-HXUWFJFHSA-N 1 3 327.472 2.472 20 30 EEEDHO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041843273 1231726840 /nfs/dbraw/zinc/72/68/40/1231726840.db2.gz NTIGMKWAFDEQAY-HXUWFJFHSA-N 1 3 327.472 2.472 20 30 EEEDHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909811 1242659452 /nfs/dbraw/zinc/65/94/52/1242659452.db2.gz CRHMILJRYRVYNN-UXHICEINSA-N 1 3 339.483 2.450 20 30 EEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097854038 1244689892 /nfs/dbraw/zinc/68/98/92/1244689892.db2.gz SWLKYKBHJJYLKH-JEWRLFTDSA-N 1 3 337.483 2.497 20 30 EEEDHO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097854038 1244689903 /nfs/dbraw/zinc/68/99/03/1244689903.db2.gz SWLKYKBHJJYLKH-JEWRLFTDSA-N 1 3 337.483 2.497 20 30 EEEDHO C=CCN1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC2(CCOCC2)C1 ZINC001099598722 1258246875 /nfs/dbraw/zinc/24/68/75/1258246875.db2.gz KYHCTQYYJSZJJS-GOSISDBHSA-N 1 3 349.519 2.036 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001101024838 1259577063 /nfs/dbraw/zinc/57/70/63/1259577063.db2.gz IOYSPXCEUPJHHP-ZJRDLVKKSA-N 1 3 347.547 2.498 20 30 EEEDHO C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245524 1282956214 /nfs/dbraw/zinc/95/62/14/1282956214.db2.gz BTDUJVNMEOYGAL-SFHVURJKSA-N 1 3 345.487 2.097 20 30 EEEDHO C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194245524 1282956216 /nfs/dbraw/zinc/95/62/16/1282956216.db2.gz BTDUJVNMEOYGAL-SFHVURJKSA-N 1 3 345.487 2.097 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001072094526 1295234840 /nfs/dbraw/zinc/23/48/40/1295234840.db2.gz AMEXLAZAUXMZIF-YLJYHZDGSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001072094526 1295234849 /nfs/dbraw/zinc/23/48/49/1295234849.db2.gz AMEXLAZAUXMZIF-YLJYHZDGSA-N 1 3 345.531 2.491 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001211267511 1295787007 /nfs/dbraw/zinc/78/70/07/1295787007.db2.gz BQRXVXNAGBUKFP-QGZVFWFLSA-N 1 3 346.450 2.118 20 30 EEEDHO CC(C)[C@@H](C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001227899864 1302002427 /nfs/dbraw/zinc/00/24/27/1302002427.db2.gz LAUYLINVXINDJF-IBGZPJMESA-N 1 3 342.487 2.225 20 30 EEEDHO C=CCOCC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001230342472 1303171632 /nfs/dbraw/zinc/17/16/32/1303171632.db2.gz MTBZMDOVLRRKQY-UHFFFAOYSA-N 1 3 345.487 2.145 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCCCC)CC2)CC1 ZINC001230355051 1303175207 /nfs/dbraw/zinc/17/52/07/1303175207.db2.gz RHWFBWTWJIZUNE-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(C)CN(CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846337 1303497876 /nfs/dbraw/zinc/49/78/76/1303497876.db2.gz GCNJIFYADJHAJB-IEBWSBKVSA-N 1 3 344.503 2.164 20 30 EEEDHO C=C(C)CN(CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)Cc1cccnc1 ZINC001230846337 1303497881 /nfs/dbraw/zinc/49/78/81/1303497881.db2.gz GCNJIFYADJHAJB-IEBWSBKVSA-N 1 3 344.503 2.164 20 30 EEEDHO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C(F)(F)F ZINC001112171432 1304293349 /nfs/dbraw/zinc/29/33/49/1304293349.db2.gz IPPSPCUJXSKCRX-IACUBPJLSA-N 1 3 344.381 2.286 20 30 EEEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328896 1310261595 /nfs/dbraw/zinc/26/15/95/1310261595.db2.gz YSLHMLGEUHSERP-ZWKOTPCHSA-N 1 3 332.492 2.155 20 30 EEEDHO CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374137 1317984334 /nfs/dbraw/zinc/98/43/34/1317984334.db2.gz KFGMGEIZKLXXHX-VQIMIIECSA-N 1 3 342.487 2.227 20 30 EEEDHO CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374137 1317984336 /nfs/dbraw/zinc/98/43/36/1317984336.db2.gz KFGMGEIZKLXXHX-VQIMIIECSA-N 1 3 342.487 2.227 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360852 1320144663 /nfs/dbraw/zinc/14/46/63/1320144663.db2.gz XMCZQOGALALRGR-LJQANCHMSA-N 1 3 331.504 2.411 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160360852 1320144666 /nfs/dbraw/zinc/14/46/66/1320144666.db2.gz XMCZQOGALALRGR-LJQANCHMSA-N 1 3 331.504 2.411 20 30 EEEDHO C#CCNC(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001325881811 1333983703 /nfs/dbraw/zinc/98/37/03/1333983703.db2.gz YPTXTMIQBRHLAQ-IHWFROFDSA-N 1 3 339.483 2.301 20 30 EEEDHO C#CCNC(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001325881811 1333983707 /nfs/dbraw/zinc/98/37/07/1333983707.db2.gz YPTXTMIQBRHLAQ-IHWFROFDSA-N 1 3 339.483 2.301 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001340207425 1337137840 /nfs/dbraw/zinc/13/78/40/1337137840.db2.gz PLEMRSMANAXJFX-SJORKVTESA-N 1 3 346.523 2.194 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001340207425 1337137841 /nfs/dbraw/zinc/13/78/41/1337137841.db2.gz PLEMRSMANAXJFX-SJORKVTESA-N 1 3 346.523 2.194 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001388684117 1387641261 /nfs/dbraw/zinc/64/12/61/1387641261.db2.gz CBAQGSKNESBTSW-JKIFEVAISA-N 1 3 348.516 2.190 20 30 EEEDHO C=CCCN[C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953584 1369763673 /nfs/dbraw/zinc/76/36/73/1369763673.db2.gz QOMMMAOFYFKVMJ-QGZVFWFLSA-N 1 3 333.476 2.360 20 30 EEEDHO C=CCCN[C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953584 1369763677 /nfs/dbraw/zinc/76/36/77/1369763677.db2.gz QOMMMAOFYFKVMJ-QGZVFWFLSA-N 1 3 333.476 2.360 20 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1406251644 /nfs/dbraw/zinc/25/16/44/1406251644.db2.gz GYIOMKJNSDKEFC-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001392195102 1389887889 /nfs/dbraw/zinc/88/78/89/1389887889.db2.gz ZGWLYSDUMFDZRN-LSDHHAIUSA-N 1 3 327.900 2.440 20 30 EEEDHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001733953464 1406021636 /nfs/dbraw/zinc/02/16/36/1406021636.db2.gz QPOYFKZQTFZUSD-KVZIAJEVSA-N 1 3 345.462 2.002 20 30 EEEDHO C=CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001075390938 757892948 /nfs/dbraw/zinc/89/29/48/757892948.db2.gz RAZPJPNDXHZZPS-PKOBYXMFSA-N 1 3 349.519 2.033 20 30 EEEDHO C#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105063992 768979739 /nfs/dbraw/zinc/97/97/39/768979739.db2.gz QCUVNKHMTVHZRI-IAGOWNOFSA-N 1 3 327.472 2.069 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067392 769132556 /nfs/dbraw/zinc/13/25/56/769132556.db2.gz VNTMHLNKBJXBJE-SJLPKXTDSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067392 769132565 /nfs/dbraw/zinc/13/25/65/769132565.db2.gz VNTMHLNKBJXBJE-SJLPKXTDSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255831 774198861 /nfs/dbraw/zinc/19/88/61/774198861.db2.gz PNYWIDFGYAZWGA-SLFFLAALSA-N 1 3 343.515 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255831 774198864 /nfs/dbraw/zinc/19/88/64/774198864.db2.gz PNYWIDFGYAZWGA-SLFFLAALSA-N 1 3 343.515 2.124 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203438006 781602247 /nfs/dbraw/zinc/60/22/47/781602247.db2.gz ZIFPMZFUYKXNMJ-UHFFFAOYSA-N 1 3 345.462 2.100 20 30 EEEDHO CCCCCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001135436983 783766634 /nfs/dbraw/zinc/76/66/34/783766634.db2.gz IYLQWWKAIYBKOP-UHFFFAOYSA-N 1 3 336.505 2.338 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744208 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EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F)CC1 ZINC001146611636 791374894 /nfs/dbraw/zinc/37/48/94/791374894.db2.gz NDGIEINPTGLCFE-ZIAGYGMSSA-N 1 3 347.425 2.157 20 30 EEEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952442 793085891 /nfs/dbraw/zinc/08/58/91/793085891.db2.gz IRKQFXAOVMJXNU-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952442 793085905 /nfs/dbraw/zinc/08/59/05/793085905.db2.gz IRKQFXAOVMJXNU-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992503254 794430655 /nfs/dbraw/zinc/43/06/55/794430655.db2.gz DSNQVMVMYMLKJC-PZJWPPBQSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502243 794435990 /nfs/dbraw/zinc/43/59/90/794435990.db2.gz BBEULVHARCPPND-TZIWHRDSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502243 794435994 /nfs/dbraw/zinc/43/59/94/794435994.db2.gz BBEULVHARCPPND-TZIWHRDSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCF)CC1 ZINC001110147102 795384474 /nfs/dbraw/zinc/38/44/74/795384474.db2.gz KNAHZVSLMGRCKU-QYZOEREBSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCF)CC1 ZINC001110147102 795384481 /nfs/dbraw/zinc/38/44/81/795384481.db2.gz KNAHZVSLMGRCKU-QYZOEREBSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC000994492798 798090341 /nfs/dbraw/zinc/09/03/41/798090341.db2.gz BRELNFLENYIEGZ-IEBWSBKVSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC000994492798 798090347 /nfs/dbraw/zinc/09/03/47/798090347.db2.gz BRELNFLENYIEGZ-IEBWSBKVSA-N 1 3 331.504 2.267 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176986264 798675404 /nfs/dbraw/zinc/67/54/04/798675404.db2.gz JBQOBFZZNLFJRM-SFHVURJKSA-N 1 3 346.450 2.168 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004549333 802352153 /nfs/dbraw/zinc/35/21/53/802352153.db2.gz XHBXTKVIKTXQHC-IEBWSBKVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004549333 802352160 /nfs/dbraw/zinc/35/21/60/802352160.db2.gz XHBXTKVIKTXQHC-IEBWSBKVSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001130399162 811610546 /nfs/dbraw/zinc/61/05/46/811610546.db2.gz OOTDORQRQCRUGF-DOTOQJQBSA-N 1 3 347.507 2.122 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001130399162 811610552 /nfs/dbraw/zinc/61/05/52/811610552.db2.gz OOTDORQRQCRUGF-DOTOQJQBSA-N 1 3 347.507 2.122 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001437425331 1089712820 /nfs/dbraw/zinc/71/28/20/1089712820.db2.gz RGTLRSHUCSVJCK-KDOFPFPSSA-N 1 3 348.466 2.268 20 30 EEEDHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1cccc(C#N)c1 ZINC001441015623 1094295392 /nfs/dbraw/zinc/29/53/92/1094295392.db2.gz APTKAUQPPPQXAA-KRWDZBQOSA-N 1 3 342.487 2.371 20 30 EEEDHO C#CCOc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000130364878 462752255 /nfs/dbraw/zinc/75/22/55/462752255.db2.gz FKECGSGCHILYAE-GOSISDBHSA-N 1 3 328.456 2.289 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000068226276 463107338 /nfs/dbraw/zinc/10/73/38/463107338.db2.gz OJRUQNIGNPUOSH-UHFFFAOYSA-N 1 3 327.472 2.100 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000068226276 463107340 /nfs/dbraw/zinc/10/73/40/463107340.db2.gz OJRUQNIGNPUOSH-UHFFFAOYSA-N 1 3 327.472 2.100 20 30 EEEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000171739796 463916637 /nfs/dbraw/zinc/91/66/37/463916637.db2.gz YHMNMHJSGFNJKC-UHFFFAOYSA-N 1 3 336.524 2.400 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000290869361 464135367 /nfs/dbraw/zinc/13/53/67/464135367.db2.gz AUNAAFXONKRCAV-JKSUJKDBSA-N 1 3 347.482 2.041 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174244560 464383193 /nfs/dbraw/zinc/38/31/93/464383193.db2.gz DMJWSKHHLCCKJX-KRWDZBQOSA-N 1 3 334.508 2.154 20 30 EEEDHO CC1CCN(C(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000190527987 464668641 /nfs/dbraw/zinc/66/86/41/464668641.db2.gz DJIKNOGFIJDABO-IBGZPJMESA-N 1 3 344.503 2.324 20 30 EEEDHO Cc1cccc(N2CCN(CCCCNC(=[NH2+])N(C)C3CC3)CC2)c1 ZINC000273330096 464711827 /nfs/dbraw/zinc/71/18/27/464711827.db2.gz JIPDIZSAGKSWKY-UHFFFAOYSA-N 1 3 343.519 2.306 20 30 EEEDHO N#C[C@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000274203553 464737343 /nfs/dbraw/zinc/73/73/43/464737343.db2.gz LNIHODBJPBMHBR-ZWKOTPCHSA-N 1 3 327.476 2.266 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000358794314 465327558 /nfs/dbraw/zinc/32/75/58/465327558.db2.gz GOJDENXLRHVYOQ-UHFFFAOYSA-N 1 3 336.524 2.448 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000340962796 466470249 /nfs/dbraw/zinc/47/02/49/466470249.db2.gz SVIOCGXGGLNDLF-FGTMMUONSA-N 1 3 336.524 2.467 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000340962796 466470255 /nfs/dbraw/zinc/47/02/55/466470255.db2.gz SVIOCGXGGLNDLF-FGTMMUONSA-N 1 3 336.524 2.467 20 30 EEEDHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000424176385 466996910 /nfs/dbraw/zinc/99/69/10/466996910.db2.gz RGNNTEVUVWMTRV-NZSAHSFTSA-N 1 3 342.487 2.424 20 30 EEEDHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424176385 466996914 /nfs/dbraw/zinc/99/69/14/466996914.db2.gz RGNNTEVUVWMTRV-NZSAHSFTSA-N 1 3 342.487 2.424 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227315 782174050 /nfs/dbraw/zinc/17/40/50/782174050.db2.gz GCFUHRQAUBREAE-HKUYNNGSSA-N 1 3 331.504 2.006 20 30 EEEDHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411600 577720826 /nfs/dbraw/zinc/72/08/26/577720826.db2.gz AQRKMFGDLPNTEX-RTBURBONSA-N 1 3 331.460 2.024 20 30 EEEDHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692302 676350369 /nfs/dbraw/zinc/35/03/69/676350369.db2.gz SZXYXRJKTAASGF-PMACEKPBSA-N 1 3 339.483 2.308 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001024162177 679828891 /nfs/dbraw/zinc/82/88/91/679828891.db2.gz SFJIIHGFCUJWNP-PBHICJAKSA-N 1 3 348.516 2.288 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CC2)CC1 ZINC001024813342 681466444 /nfs/dbraw/zinc/46/64/44/681466444.db2.gz ZQGGXGJUUSFOFJ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC2CC2)CC1 ZINC001024813342 681466446 /nfs/dbraw/zinc/46/64/46/681466446.db2.gz ZQGGXGJUUSFOFJ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC000982623690 681817704 /nfs/dbraw/zinc/81/77/04/681817704.db2.gz LGVWNSLCJMSYNT-YSIASYRMSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC000982623690 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345.531 2.348 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]21 ZINC000992704642 683282878 /nfs/dbraw/zinc/28/28/78/683282878.db2.gz CHTJSYCYXONFOL-HYVNUMGLSA-N 1 3 339.911 2.440 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)CC1 ZINC001026609232 684787261 /nfs/dbraw/zinc/78/72/61/684787261.db2.gz CDXDZYLPDGKCKX-UHFFFAOYSA-N 1 3 331.504 2.149 20 30 EEEDHO CC[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262457771 686128211 /nfs/dbraw/zinc/12/82/11/686128211.db2.gz LOXJKEHSLLTOSQ-MRXNPFEDSA-N 1 3 333.480 2.317 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(OC)cc1 ZINC000303974529 686961846 /nfs/dbraw/zinc/96/18/46/686961846.db2.gz HYVSYZDPZQXTEA-MRXNPFEDSA-N 1 3 332.492 2.361 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CCC3CCCCC3)C2)CC1 ZINC001032207235 1193086206 /nfs/dbraw/zinc/08/62/06/1193086206.db2.gz IRURSCFMMUYWSH-UHFFFAOYSA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)CC1 ZINC001752500659 1181893592 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EEEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001165332337 1321502441 /nfs/dbraw/zinc/50/24/41/1321502441.db2.gz HSOQPGNLUSFQED-OAHLLOKOSA-N 1 3 327.900 2.489 20 30 EEEDHO Cn1cc(CN2CCC3(C2)CC[NH+](C[C@H]2CCCO2)CC3)cc1C#N ZINC001276431057 1321998644 /nfs/dbraw/zinc/99/86/44/1321998644.db2.gz AJCVFBJRNSFYOG-LJQANCHMSA-N 1 3 342.487 2.364 20 30 EEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209221280 1324861393 /nfs/dbraw/zinc/86/13/93/1324861393.db2.gz AKZUCEFCSKTKCH-HKUYNNGSSA-N 1 3 331.504 2.387 20 30 EEEDHO CC#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209221280 1324861397 /nfs/dbraw/zinc/86/13/97/1324861397.db2.gz AKZUCEFCSKTKCH-HKUYNNGSSA-N 1 3 331.504 2.387 20 30 EEEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001209952971 1325108675 /nfs/dbraw/zinc/10/86/75/1325108675.db2.gz RRVISFMJQIDYGW-ZWKOTPCHSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001209952969 1325109233 /nfs/dbraw/zinc/10/92/33/1325109233.db2.gz RRVISFMJQIDYGW-ROUUACIJSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC001210182996 1325194644 /nfs/dbraw/zinc/19/46/44/1325194644.db2.gz JXCIKLYKHHZVIW-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO C=CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1[O-] ZINC001276685145 1325304679 /nfs/dbraw/zinc/30/46/79/1325304679.db2.gz VVEIIIUQRACDDQ-KDURUIRLSA-N 1 3 329.488 2.331 20 30 EEEDHO C=CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1[O-] ZINC001276685145 1325304685 /nfs/dbraw/zinc/30/46/85/1325304685.db2.gz VVEIIIUQRACDDQ-KDURUIRLSA-N 1 3 329.488 2.331 20 30 EEEDHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001100651996 1338599966 /nfs/dbraw/zinc/59/99/66/1338599966.db2.gz SZRISLHYBZRYFT-CTWPCTMYSA-N 1 3 342.487 2.129 20 30 EEEDHO N#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1F ZINC001580076475 1344467549 /nfs/dbraw/zinc/46/75/49/1344467549.db2.gz XYVOSMIDYUJHCN-HDICACEKSA-N 1 3 328.435 2.098 20 30 EEEDHO CN(CC(=O)NCC1CC([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001100410024 1373037637 /nfs/dbraw/zinc/03/76/37/1373037637.db2.gz WWISPVUHMIVRIM-UHFFFAOYSA-N 1 3 340.471 2.027 20 30 EEEDHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001367239069 1374141226 /nfs/dbraw/zinc/14/12/26/1374141226.db2.gz DNMAFUICRBLGQK-YOEHRIQHSA-N 1 3 348.516 2.334 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396022 1379203842 /nfs/dbraw/zinc/20/38/42/1379203842.db2.gz UJKQUHRUZJJKRL-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396022 1379203849 /nfs/dbraw/zinc/20/38/49/1379203849.db2.gz UJKQUHRUZJJKRL-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001378248624 1379819510 /nfs/dbraw/zinc/81/95/10/1379819510.db2.gz FOEQFEJXWYOCEW-QGZVFWFLSA-N 1 3 328.460 2.027 20 30 EEEDHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001379049303 1380427328 /nfs/dbraw/zinc/42/73/28/1380427328.db2.gz QZRBNDKZZBBQHC-RBUKOAKNSA-N 1 3 344.503 2.375 20 30 EEEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752836910 1406467166 /nfs/dbraw/zinc/46/71/66/1406467166.db2.gz PYVGBZMPXILRLS-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752836910 1406467170 /nfs/dbraw/zinc/46/71/70/1406467170.db2.gz PYVGBZMPXILRLS-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccccc1C#N ZINC001401507413 1397414449 /nfs/dbraw/zinc/41/44/49/1397414449.db2.gz XPVBFOUEJJUHSW-RBUKOAKNSA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccccc1C#N ZINC001401507413 1397414452 /nfs/dbraw/zinc/41/44/52/1397414452.db2.gz XPVBFOUEJJUHSW-RBUKOAKNSA-N 1 3 342.487 2.275 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001755618350 1407686434 /nfs/dbraw/zinc/68/64/34/1407686434.db2.gz KHACPDCDWOQTLI-OAHLLOKOSA-N 1 3 347.528 2.338 20 30 EEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001755768665 1407828659 /nfs/dbraw/zinc/82/86/59/1407828659.db2.gz SRUAMHNRYWKYGN-UKRRQHHQSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840716 782352274 /nfs/dbraw/zinc/35/22/74/782352274.db2.gz KQNWYDCQKXNERK-RBUKOAKNSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1CC ZINC001087840716 782352282 /nfs/dbraw/zinc/35/22/82/782352282.db2.gz KQNWYDCQKXNERK-RBUKOAKNSA-N 1 3 327.472 2.354 20 30 EEEDHO C=CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001075410488 759377368 /nfs/dbraw/zinc/37/73/68/759377368.db2.gz CODAWNQOIOWLBA-ICSRJNTNSA-N 1 3 349.519 2.033 20 30 EEEDHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001167628251 760774479 /nfs/dbraw/zinc/77/44/79/760774479.db2.gz YAPHJOHGLHTRIY-LJQANCHMSA-N 1 3 342.487 2.417 20 30 EEEDHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001167628251 760774487 /nfs/dbraw/zinc/77/44/87/760774487.db2.gz YAPHJOHGLHTRIY-LJQANCHMSA-N 1 3 342.487 2.417 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980167626 773993087 /nfs/dbraw/zinc/99/30/87/773993087.db2.gz FLKHOGPBVKXJDG-KSZLIROESA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980167626 773993093 /nfs/dbraw/zinc/99/30/93/773993093.db2.gz FLKHOGPBVKXJDG-KSZLIROESA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]Cc3ccccc3)C2)CC1 ZINC001091377624 790505584 /nfs/dbraw/zinc/50/55/84/790505584.db2.gz QORGFFYDRHOYNL-UHFFFAOYSA-N 1 3 339.483 2.016 20 30 EEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653898 790551984 /nfs/dbraw/zinc/55/19/84/790551984.db2.gz UMKZBDQLBVJGBY-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997653898 790551989 /nfs/dbraw/zinc/55/19/89/790551989.db2.gz UMKZBDQLBVJGBY-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO COc1ccc(CCNC(=[NH2+])NCCN(C)C2CCCC2)cc1OC ZINC000178569067 779435272 /nfs/dbraw/zinc/43/52/72/779435272.db2.gz RGSLYGDGSJESTP-UHFFFAOYSA-N 1 3 348.491 2.025 20 30 EEEDHO C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481535 783837317 /nfs/dbraw/zinc/83/73/17/783837317.db2.gz VHZXRYAGLIFTRM-HOTGVXAUSA-N 1 3 327.513 2.040 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035741393 785056270 /nfs/dbraw/zinc/05/62/70/785056270.db2.gz MKHVEIMHCQNULQ-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035741393 785056277 /nfs/dbraw/zinc/05/62/77/785056277.db2.gz MKHVEIMHCQNULQ-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161900 789574302 /nfs/dbraw/zinc/57/43/02/789574302.db2.gz RDRPXNGXBNZWMP-UONOGXRCSA-N 1 3 346.313 2.111 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591877 791360214 /nfs/dbraw/zinc/36/02/14/791360214.db2.gz HUYVDUFIHHVQFH-IRXDYDNUSA-N 1 3 347.478 2.390 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146591048 791360674 /nfs/dbraw/zinc/36/06/74/791360674.db2.gz FQKAOYJTYFFHLF-LSDHHAIUSA-N 1 3 348.466 2.410 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610147 791373105 /nfs/dbraw/zinc/37/31/05/791373105.db2.gz HWPOWCISFURLDN-SJORKVTESA-N 1 3 333.520 2.395 20 30 EEEDHO CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000085143010 792307928 /nfs/dbraw/zinc/30/79/28/792307928.db2.gz VFJZKGLZCYEDKU-KRWDZBQOSA-N 1 3 336.524 2.207 20 30 EEEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405819 793138694 /nfs/dbraw/zinc/13/86/94/793138694.db2.gz DSSQMCMWMUFTLP-GUDVDZBRSA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212405819 793138705 /nfs/dbraw/zinc/13/87/05/793138705.db2.gz DSSQMCMWMUFTLP-GUDVDZBRSA-N 1 3 349.519 2.175 20 30 EEEDHO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@H](OC)C1 ZINC001212411535 793859409 /nfs/dbraw/zinc/85/94/09/793859409.db2.gz ATLDYPXAIBYHAT-KURKYZTESA-N 1 3 339.524 2.112 20 30 EEEDHO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@H](OC)C1 ZINC001212411535 793859414 /nfs/dbraw/zinc/85/94/14/793859414.db2.gz ATLDYPXAIBYHAT-KURKYZTESA-N 1 3 339.524 2.112 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717268 794610789 /nfs/dbraw/zinc/61/07/89/794610789.db2.gz SSASLDPRPZICEF-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717268 794610792 /nfs/dbraw/zinc/61/07/92/794610792.db2.gz SSASLDPRPZICEF-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093369754 795100201 /nfs/dbraw/zinc/10/02/01/795100201.db2.gz GJVKDFKWXXOFJP-BHIYHBOVSA-N 1 3 343.515 2.053 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369754 795100206 /nfs/dbraw/zinc/10/02/06/795100206.db2.gz GJVKDFKWXXOFJP-BHIYHBOVSA-N 1 3 343.515 2.053 20 30 EEEDHO C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](C1CC1)N(C)C)CCO2 ZINC001093399983 795178657 /nfs/dbraw/zinc/17/86/57/795178657.db2.gz YAKOSIAOPILVLC-QPIRBTGLSA-N 1 3 349.519 2.033 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669161 796080447 /nfs/dbraw/zinc/08/04/47/796080447.db2.gz YUTIOXLJBWJMJT-UKRRQHHQSA-N 1 3 327.900 2.155 20 30 EEEDHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2)C[C@H]1C#N ZINC001172967091 797173745 /nfs/dbraw/zinc/17/37/45/797173745.db2.gz GCLFGEKPWFBKGS-CVEARBPZSA-N 1 3 336.480 2.354 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504683 798104158 /nfs/dbraw/zinc/10/41/58/798104158.db2.gz XWGLXKUVCIZRIK-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504683 798104161 /nfs/dbraw/zinc/10/41/61/798104161.db2.gz XWGLXKUVCIZRIK-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884340 798612908 /nfs/dbraw/zinc/61/29/08/798612908.db2.gz CPXBHQFHDGCPOJ-UHFFFAOYSA-N 1 3 328.460 2.030 20 30 EEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177340068 798873878 /nfs/dbraw/zinc/87/38/78/798873878.db2.gz ZFPVRUNZRJKQDU-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001004200962 801251289 /nfs/dbraw/zinc/25/12/89/801251289.db2.gz HCSMJZAKKVZFFQ-UHFFFAOYSA-N 1 3 345.531 2.493 20 30 EEEDHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001183040555 801436326 /nfs/dbraw/zinc/43/63/26/801436326.db2.gz SSZSOIVQZVETLW-UXHICEINSA-N 1 3 339.483 2.103 20 30 EEEDHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001183040555 801436329 /nfs/dbraw/zinc/43/63/29/801436329.db2.gz SSZSOIVQZVETLW-UXHICEINSA-N 1 3 339.483 2.103 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549286 802351361 /nfs/dbraw/zinc/35/13/61/802351361.db2.gz XDSIBZYDUCJLBW-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549286 802351370 /nfs/dbraw/zinc/35/13/70/802351370.db2.gz XDSIBZYDUCJLBW-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399456 805410445 /nfs/dbraw/zinc/41/04/45/805410445.db2.gz KPXLMMWDKXDYPI-RDGPPVDQSA-N 1 3 349.519 2.173 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399456 805410447 /nfs/dbraw/zinc/41/04/47/805410447.db2.gz KPXLMMWDKXDYPI-RDGPPVDQSA-N 1 3 349.519 2.173 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)N(C)C ZINC001436830857 1088442547 /nfs/dbraw/zinc/44/25/47/1088442547.db2.gz AMSIRKRBXASAFA-MOPGFXCFSA-N 1 3 342.487 2.129 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959260 1091652091 /nfs/dbraw/zinc/65/20/91/1091652091.db2.gz HZAZWLFIIZOFNB-OALUTQOASA-N 1 3 342.487 2.275 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000491625620 246086362 /nfs/dbraw/zinc/08/63/62/246086362.db2.gz KQWITJBQMOXAND-KRWDZBQOSA-N 1 3 327.472 2.148 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000491625620 246086369 /nfs/dbraw/zinc/08/63/69/246086369.db2.gz KQWITJBQMOXAND-KRWDZBQOSA-N 1 3 327.472 2.148 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000296526517 465222951 /nfs/dbraw/zinc/22/29/51/465222951.db2.gz ZXVSCSWUUKRLLM-UHFFFAOYSA-N 1 3 344.503 2.283 20 30 EEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@@H](C)c1ccc(C)o1 ZINC000086335441 462569785 /nfs/dbraw/zinc/56/97/85/462569785.db2.gz YYHBKTLNMTVBBT-INIZCTEOSA-N 1 3 348.491 2.459 20 30 EEEDHO C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)NC1CCN(C2CC2)CC1 ZINC000262376433 464014130 /nfs/dbraw/zinc/01/41/30/464014130.db2.gz 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EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001485072662 1191642742 /nfs/dbraw/zinc/64/27/42/1191642742.db2.gz JIXYLPYOMRVPJI-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO CN(C)CC1(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CCCC1 ZINC001273137355 1196728569 /nfs/dbraw/zinc/72/85/69/1196728569.db2.gz RGZOAXUSPKXHCY-FQEVSTJZSA-N 1 3 346.519 2.479 20 30 EEEDHO CN(C)CC1(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CCCC1 ZINC001273137355 1196728572 /nfs/dbraw/zinc/72/85/72/1196728572.db2.gz RGZOAXUSPKXHCY-FQEVSTJZSA-N 1 3 346.519 2.479 20 30 EEEDHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(N(C)C)CCC1 ZINC001134583422 1199672336 /nfs/dbraw/zinc/67/23/36/1199672336.db2.gz KFRNNIGADKFQSI-HZPDHXFCSA-N 1 3 342.487 2.415 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C#N ZINC001134613571 1199690708 /nfs/dbraw/zinc/69/07/08/1199690708.db2.gz WEVMYWCWRNKTBH-CVEARBPZSA-N 1 3 342.487 2.415 20 30 EEEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC001137122736 1199971690 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C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188716 1217077467 /nfs/dbraw/zinc/07/74/67/1217077467.db2.gz XOBBHUWEWBFTJD-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](CCCC)CC3)CC1 ZINC001016987165 1227016188 /nfs/dbraw/zinc/01/61/88/1227016188.db2.gz WSESQILHAAJBBT-SFHVURJKSA-N 1 3 331.504 2.102 20 30 EEEDHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054729789 1248945890 /nfs/dbraw/zinc/94/58/90/1248945890.db2.gz BZOIEORVJPICCC-CZUORRHYSA-N 1 3 346.500 2.041 20 30 EEEDHO C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235689 1230469042 /nfs/dbraw/zinc/46/90/42/1230469042.db2.gz ZEDUUFYADLPKSW-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039235689 1230469043 /nfs/dbraw/zinc/46/90/43/1230469043.db2.gz ZEDUUFYADLPKSW-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699935 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2.301 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)CC1 ZINC001050392478 1243494421 /nfs/dbraw/zinc/49/44/21/1243494421.db2.gz GGDZPWHHRJOXMO-UAPYVXQJSA-N 1 3 331.504 2.006 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCF)CC1 ZINC001111455056 1244596923 /nfs/dbraw/zinc/59/69/23/1244596923.db2.gz KNAHZVSLMGRCKU-QRVBRYPASA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCF)CC1 ZINC001111455056 1244596931 /nfs/dbraw/zinc/59/69/31/1244596931.db2.gz KNAHZVSLMGRCKU-QRVBRYPASA-N 1 3 349.494 2.193 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029532 1245713170 /nfs/dbraw/zinc/71/31/70/1245713170.db2.gz SRCXQDANJBIREA-MSOLQXFVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029532 1245713177 /nfs/dbraw/zinc/71/31/77/1245713177.db2.gz SRCXQDANJBIREA-MSOLQXFVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001054223684 1247765162 /nfs/dbraw/zinc/76/51/62/1247765162.db2.gz ZJTAUUCDTWEVPK-FQEVSTJZSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001074880719 1257190430 /nfs/dbraw/zinc/19/04/30/1257190430.db2.gz VOWAOZGNOLREFD-MPGHIAIKSA-N 1 3 325.472 2.354 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260189 1258046497 /nfs/dbraw/zinc/04/64/97/1258046497.db2.gz ALUYTCHZDFOQLC-MCIONIFRSA-N 1 3 333.398 2.026 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099260189 1258046503 /nfs/dbraw/zinc/04/65/03/1258046503.db2.gz ALUYTCHZDFOQLC-MCIONIFRSA-N 1 3 333.398 2.026 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001101025036 1259577299 /nfs/dbraw/zinc/57/72/99/1259577299.db2.gz SKGVRTVZPMXUNU-LRYGQEGESA-N 1 3 331.504 2.171 20 30 EEEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185740399 1278768113 /nfs/dbraw/zinc/76/81/13/1278768113.db2.gz BUVISHSNLZCQNZ-LPHOPBHVSA-N 1 3 327.472 2.069 20 30 EEEDHO C=CCC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001186093906 1278948963 /nfs/dbraw/zinc/94/89/63/1278948963.db2.gz FKIGOCXATZXVAX-RBUKOAKNSA-N 1 3 349.519 2.034 20 30 EEEDHO C=CCC[NH2+][C@@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198941186 1285431059 /nfs/dbraw/zinc/43/10/59/1285431059.db2.gz VATYLXKFWOEYQM-KRWDZBQOSA-N 1 3 333.476 2.360 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540799 1296934734 /nfs/dbraw/zinc/93/47/34/1296934734.db2.gz QGHBVHCUGINZKB-RKVPGOIHSA-N 1 3 325.472 2.212 20 30 EEEDHO C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001218715553 1297774835 /nfs/dbraw/zinc/77/48/35/1297774835.db2.gz JLKVEALKQZBBFY-CEXWTWQISA-N 1 3 349.519 2.129 20 30 EEEDHO C=C(C)CNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219879455 1298170754 /nfs/dbraw/zinc/17/07/54/1298170754.db2.gz GJZONWIHEIOLKJ-UYAOXDASSA-N 1 3 327.472 2.181 20 30 EEEDHO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCN1C(C)C)C[C@H](C)O2 ZINC001098589738 1298639744 /nfs/dbraw/zinc/63/97/44/1298639744.db2.gz LHSQGXXKTXEBDR-ROUUACIJSA-N 1 3 349.519 2.127 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099284520 1298999291 /nfs/dbraw/zinc/99/92/91/1298999291.db2.gz DWJKEVRAZKRLFS-KFWWJZLASA-N 1 3 345.409 2.026 20 30 EEEDHO N#Cc1ccc(C2CCC([NH2+]CCCC[C@H](N)C(N)=O)CC2)cc1 ZINC001246413029 1310304052 /nfs/dbraw/zinc/30/40/52/1310304052.db2.gz FFPYSIXXGITBPP-ABHNRTSZSA-N 1 3 328.460 2.157 20 30 EEEDHO COC(=O)[C@@H]1C[C@@H](N)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798323 1310432483 /nfs/dbraw/zinc/43/24/83/1310432483.db2.gz ROFVWUKFHKTOHJ-QGLXBCBXSA-N 1 3 341.455 2.407 20 30 EEEDHO COC(=O)[C@@H]1C[C@@H](N)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798323 1310432488 /nfs/dbraw/zinc/43/24/88/1310432488.db2.gz ROFVWUKFHKTOHJ-QGLXBCBXSA-N 1 3 341.455 2.407 20 30 EEEDHO CC(C)(C)c1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c(C#N)c1 ZINC001247832790 1310737164 /nfs/dbraw/zinc/73/71/64/1310737164.db2.gz ZCTIBICLYBTUCY-HNNXBMFYSA-N 1 3 337.427 2.182 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC/C=C\c2ccccc2)CC1 ZINC001152329913 1316657527 /nfs/dbraw/zinc/65/75/27/1316657527.db2.gz FBHUEIPZGCDHJC-POHAHGRESA-N 1 3 339.483 2.141 20 30 EEEDHO N#Cc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159459999 1319817438 /nfs/dbraw/zinc/81/74/38/1319817438.db2.gz JYMIMLDXKFVVRD-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360321 1320144027 /nfs/dbraw/zinc/14/40/27/1320144027.db2.gz OVJXZIYYQYJFQR-IBGZPJMESA-N 1 3 329.488 2.165 20 30 EEEDHO C#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360321 1320144028 /nfs/dbraw/zinc/14/40/28/1320144028.db2.gz OVJXZIYYQYJFQR-IBGZPJMESA-N 1 3 329.488 2.165 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390759 1320484771 /nfs/dbraw/zinc/48/47/71/1320484771.db2.gz JFDATEMGSGPEQK-IBGZPJMESA-N 1 3 331.504 2.411 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001161390759 1320484777 /nfs/dbraw/zinc/48/47/77/1320484777.db2.gz JFDATEMGSGPEQK-IBGZPJMESA-N 1 3 331.504 2.411 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](CCC(=C)C)CC2)CC1 ZINC001161946770 1320688090 /nfs/dbraw/zinc/68/80/90/1320688090.db2.gz CAKSPJFQPRTARK-UHFFFAOYSA-N 1 3 343.515 2.436 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](CCC(=C)C)CC2)CC1 ZINC001161946770 1320688094 /nfs/dbraw/zinc/68/80/94/1320688094.db2.gz CAKSPJFQPRTARK-UHFFFAOYSA-N 1 3 343.515 2.436 20 30 EEEDHO C[N@@H+]1CCC[C@](C)(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001162339233 1320828809 /nfs/dbraw/zinc/82/88/09/1320828809.db2.gz IRPQAIRMOZPONT-UGSOOPFHSA-N 1 3 345.447 2.322 20 30 EEEDHO C[N@H+]1CCC[C@](C)(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)C1 ZINC001162339233 1320828813 /nfs/dbraw/zinc/82/88/13/1320828813.db2.gz IRPQAIRMOZPONT-UGSOOPFHSA-N 1 3 345.447 2.322 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531825 1321409823 /nfs/dbraw/zinc/40/98/23/1321409823.db2.gz TXJIJSWLXZYCKU-HZPDHXFCSA-N 1 3 339.911 2.489 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531825 1321409825 /nfs/dbraw/zinc/40/98/25/1321409825.db2.gz TXJIJSWLXZYCKU-HZPDHXFCSA-N 1 3 339.911 2.489 20 30 EEEDHO CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001203774275 1321958452 /nfs/dbraw/zinc/95/84/52/1321958452.db2.gz ZQZDBPZYVBKFPJ-RBUKOAKNSA-N 1 3 339.483 2.402 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318382 1322349884 /nfs/dbraw/zinc/34/98/84/1322349884.db2.gz AQBBYTXVSAAJAM-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318382 1322349907 /nfs/dbraw/zinc/34/99/07/1322349907.db2.gz AQBBYTXVSAAJAM-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001355888001 1338763938 /nfs/dbraw/zinc/76/39/38/1338763938.db2.gz HXTJTYLCMRMHOS-KRWDZBQOSA-N 1 3 346.523 2.051 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001355888001 1338763941 /nfs/dbraw/zinc/76/39/41/1338763941.db2.gz HXTJTYLCMRMHOS-KRWDZBQOSA-N 1 3 346.523 2.051 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC[C@H]1C ZINC001071702033 1370560201 /nfs/dbraw/zinc/56/02/01/1370560201.db2.gz RXKQNVREQXSSDC-MJGOQNOKSA-N 1 3 341.499 2.397 20 30 EEEDHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001371869870 1375659791 /nfs/dbraw/zinc/65/97/91/1375659791.db2.gz PHQXVUYZCQULIC-GUYCJALGSA-N 1 3 334.439 2.022 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001375764617 1377982172 /nfs/dbraw/zinc/98/21/72/1377982172.db2.gz PBEKUDWUNVFBJT-CQSZACIVSA-N 1 3 334.489 2.042 20 30 EEEDHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379231168 1380645662 /nfs/dbraw/zinc/64/56/62/1380645662.db2.gz ZPDMOVPGRNENIS-INIZCTEOSA-N 1 3 344.503 2.473 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001379817825 1380904560 /nfs/dbraw/zinc/90/45/60/1380904560.db2.gz PWMPYPVKJBJNRT-LSDHHAIUSA-N 1 3 327.900 2.488 20 30 EEEDHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)C)N(C)C ZINC001392247615 1389925248 /nfs/dbraw/zinc/92/52/48/1389925248.db2.gz OYUQHZRUCZAQGK-ROUUACIJSA-N 1 3 348.466 2.268 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C[C@@H]1C ZINC001402051601 1397736758 /nfs/dbraw/zinc/73/67/58/1397736758.db2.gz ITBIIEUQJMTMKD-LPHOPBHVSA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccc(C#N)cc1 ZINC001402977749 1398302024 /nfs/dbraw/zinc/30/20/24/1398302024.db2.gz VLTXGSVGVJOJCL-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001402992515 1398308626 /nfs/dbraw/zinc/30/86/26/1398308626.db2.gz CSXZHTJRKVBOFS-CYBMUJFWSA-N 1 3 336.505 2.192 20 30 EEEDHO C=C(Br)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001423449544 1400582900 /nfs/dbraw/zinc/58/29/00/1400582900.db2.gz JNLDZPJHBUVFBQ-KBPBESRZSA-N 1 3 346.313 2.206 20 30 EEEDHO C#CC[NH2+][C@H](CCN(C)C(=O)c1cccc(CN(C)C)c1)C(C)C ZINC001755342850 1407342039 /nfs/dbraw/zinc/34/20/39/1407342039.db2.gz LPKSKWKLFZIGLW-LJQANCHMSA-N 1 3 329.488 2.458 20 30 EEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294569 758149295 /nfs/dbraw/zinc/14/92/95/758149295.db2.gz RVHWLVZQZSCDKB-UKRRQHHQSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089510721 770025834 /nfs/dbraw/zinc/02/58/34/770025834.db2.gz DPKYMEMHROBIPC-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089510721 770025847 /nfs/dbraw/zinc/02/58/47/770025847.db2.gz DPKYMEMHROBIPC-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070332 773436119 /nfs/dbraw/zinc/43/61/19/773436119.db2.gz ONFIZXFIZREFMD-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)CC1 ZINC000948070332 773436121 /nfs/dbraw/zinc/43/61/21/773436121.db2.gz ONFIZXFIZREFMD-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C=CCN1CCCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000982107356 779115882 /nfs/dbraw/zinc/11/58/82/779115882.db2.gz HXOFWIQROVNKFC-UHFFFAOYSA-N 1 3 331.504 2.219 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001035050719 783655456 /nfs/dbraw/zinc/65/54/56/783655456.db2.gz HKPRDNZMEGWSEK-QFBILLFUSA-N 1 3 340.471 2.123 20 30 EEEDHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135690097 784249782 /nfs/dbraw/zinc/24/97/82/784249782.db2.gz FDNDGWLTKKBVQZ-ROUUACIJSA-N 1 3 339.524 2.021 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742969 784351119 /nfs/dbraw/zinc/35/11/19/784351119.db2.gz BNQPCWZAKDSMHI-HZPDHXFCSA-N 1 3 330.476 2.273 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744210 784352575 /nfs/dbraw/zinc/35/25/75/784352575.db2.gz XTFSMKGCCJPGML-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743695 784353054 /nfs/dbraw/zinc/35/30/54/784353054.db2.gz ODJOSFWTSRNOEO-CHWSQXEVSA-N 1 3 334.302 2.110 20 30 EEEDHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1)N(C)C ZINC000995946157 785849369 /nfs/dbraw/zinc/84/93/69/785849369.db2.gz GRHBDRYSMDMGEP-QZTJIDSGSA-N 1 3 342.487 2.225 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997279921 789551688 /nfs/dbraw/zinc/55/16/88/789551688.db2.gz QMRXNSYKCSUNPC-MJGOQNOKSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997279921 789551694 /nfs/dbraw/zinc/55/16/94/789551694.db2.gz QMRXNSYKCSUNPC-MJGOQNOKSA-N 1 3 333.520 2.348 20 30 EEEDHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001171162400 789578883 /nfs/dbraw/zinc/57/88/83/789578883.db2.gz XQJNCNZULYUVOA-LPHOPBHVSA-N 1 3 342.487 2.275 20 30 EEEDHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001147823916 791981668 /nfs/dbraw/zinc/98/16/68/791981668.db2.gz GPUBPNJOPGLMMS-RDJZCZTQSA-N 1 3 346.450 2.024 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298824 792504545 /nfs/dbraw/zinc/50/45/45/792504545.db2.gz YYRZJNUIUYBEMZ-ZIAGYGMSSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCC3)C2)CC1 ZINC001086882549 792892330 /nfs/dbraw/zinc/89/23/30/792892330.db2.gz WLXNEUVERIULQQ-AZUAARDMSA-N 1 3 345.531 2.396 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012911 793506230 /nfs/dbraw/zinc/50/62/30/793506230.db2.gz FDNHWTHBNDHIAR-LSTHTHJFSA-N 1 3 349.494 2.003 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012911 793506233 /nfs/dbraw/zinc/50/62/33/793506233.db2.gz FDNHWTHBNDHIAR-LSTHTHJFSA-N 1 3 349.494 2.003 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992408399 793984026 /nfs/dbraw/zinc/98/40/26/793984026.db2.gz RSVTZVDJIDRPQD-TZIWHRDSSA-N 1 3 343.515 2.245 20 30 EEEDHO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2occc2CN(C)C)[C@H](C)C1 ZINC001092919113 794437523 /nfs/dbraw/zinc/43/75/23/794437523.db2.gz ZUYHCUGBMFIYFD-IUODEOHRSA-N 1 3 339.867 2.391 20 30 EEEDHO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2occc2CN(C)C)[C@H](C)C1 ZINC001092919113 794437531 /nfs/dbraw/zinc/43/75/31/794437531.db2.gz ZUYHCUGBMFIYFD-IUODEOHRSA-N 1 3 339.867 2.391 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509205 794451731 /nfs/dbraw/zinc/45/17/31/794451731.db2.gz MYAKMUREFZVPQY-FPOVZHCZSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509205 794451734 /nfs/dbraw/zinc/45/17/34/794451734.db2.gz MYAKMUREFZVPQY-FPOVZHCZSA-N 1 3 343.515 2.245 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093373925 795106906 /nfs/dbraw/zinc/10/69/06/795106906.db2.gz VBYNPAFZIWTBHX-MOPGFXCFSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093373925 795106908 /nfs/dbraw/zinc/10/69/08/795106908.db2.gz VBYNPAFZIWTBHX-MOPGFXCFSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093378900 795115550 /nfs/dbraw/zinc/11/55/50/795115550.db2.gz VOIKCSMPXQHVOH-LJQANCHMSA-N 1 3 343.515 2.055 20 30 EEEDHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)N(C)C ZINC001094049241 795893370 /nfs/dbraw/zinc/89/33/70/795893370.db2.gz NQWHVDQLMIVWEV-LZQZEXGQSA-N 1 3 342.487 2.083 20 30 EEEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094582633 796423258 /nfs/dbraw/zinc/42/32/58/796423258.db2.gz SZOVTCWIGMIAOU-TZIWHRDSSA-N 1 3 339.483 2.356 20 30 EEEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094582633 796423262 /nfs/dbraw/zinc/42/32/62/796423262.db2.gz SZOVTCWIGMIAOU-TZIWHRDSSA-N 1 3 339.483 2.356 20 30 EEEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCCCCC)C2 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KRNHATLDUXYETD-IBGZPJMESA-N 1 3 345.462 2.148 20 30 EEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415764 798934192 /nfs/dbraw/zinc/93/41/92/798934192.db2.gz KSHFKRZGGLPHPD-GOSISDBHSA-N 1 3 333.520 2.493 20 30 EEEDHO C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C2)CC1 ZINC001169125603 803622921 /nfs/dbraw/zinc/62/29/21/803622921.db2.gz JRHVXQABCCCOQL-BJWYYQGGSA-N 1 3 333.476 2.332 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000105139748 277848083 /nfs/dbraw/zinc/84/80/83/277848083.db2.gz YCUUMOLUASJFCX-MSOLQXFVSA-N 1 3 336.524 2.421 20 30 EEEDHO N#CCCC[C@H](N)C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000424151832 303151392 /nfs/dbraw/zinc/15/13/92/303151392.db2.gz GGGAKXONHBBWTQ-JKSUJKDBSA-N 1 3 346.500 2.240 20 30 EEEDHO C#CCN(C)CCCNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000297005551 465242985 /nfs/dbraw/zinc/24/29/85/465242985.db2.gz UHMGEZDWSQWZIG-UHFFFAOYSA-N 1 3 344.503 2.235 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000050025037 462984428 /nfs/dbraw/zinc/98/44/28/462984428.db2.gz PXPVMSWPOYIDJA-FQEVSTJZSA-N 1 3 339.483 2.285 20 30 EEEDHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895226 463666920 /nfs/dbraw/zinc/66/69/20/463666920.db2.gz UUWAMDVPWWURAJ-IBGZPJMESA-N 1 3 345.487 2.297 20 30 EEEDHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895226 463666923 /nfs/dbraw/zinc/66/69/23/463666923.db2.gz UUWAMDVPWWURAJ-IBGZPJMESA-N 1 3 345.487 2.297 20 30 EEEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171722660 463913768 /nfs/dbraw/zinc/91/37/68/463913768.db2.gz MYQGUUIJXYTQCX-MRXNPFEDSA-N 1 3 336.524 2.447 20 30 EEEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171722660 463913774 /nfs/dbraw/zinc/91/37/74/463913774.db2.gz MYQGUUIJXYTQCX-MRXNPFEDSA-N 1 3 336.524 2.447 20 30 EEEDHO C[NH+]=C(NCc1ccco1)NCc1cccc(OCCN(C)C)c1 ZINC000264059349 464276877 /nfs/dbraw/zinc/27/68/77/464276877.db2.gz PBIHDCJQKYPEFU-UHFFFAOYSA-N 1 3 330.432 2.085 20 30 EEEDHO CN(C)CCc1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000275623472 464782562 /nfs/dbraw/zinc/78/25/62/464782562.db2.gz JUDDNSCCEZQRDC-UHFFFAOYSA-N 1 3 345.491 2.490 20 30 EEEDHO C=CCOc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414989198 467462064 /nfs/dbraw/zinc/46/20/64/467462064.db2.gz QGGPFWPGIZEMSQ-MRXNPFEDSA-N 1 3 343.393 2.177 20 30 EEEDHO C[C@@H](CC1(C#N)CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000602554400 469358902 /nfs/dbraw/zinc/35/89/02/469358902.db2.gz YKNHEMCLEVVUKC-DLBZAZTESA-N 1 3 335.492 2.176 20 30 EEEDHO C=CC[C@@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662858472 472281016 /nfs/dbraw/zinc/28/10/16/472281016.db2.gz IKSCCGNXMLUSOM-FQEVSTJZSA-N 1 3 342.487 2.108 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C)cc3)C2)CC1 ZINC001021092734 675717903 /nfs/dbraw/zinc/71/79/03/675717903.db2.gz RVRXXCAXXAFZIN-MXVIHJGJSA-N 1 3 339.483 2.077 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC000982623668 681817531 /nfs/dbraw/zinc/81/75/31/681817531.db2.gz KVVQQZOCSFDXJB-NRSPTQNISA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC000982623668 681817542 /nfs/dbraw/zinc/81/75/42/681817542.db2.gz KVVQQZOCSFDXJB-NRSPTQNISA-N 1 3 345.531 2.443 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000892851187 683134413 /nfs/dbraw/zinc/13/44/13/683134413.db2.gz DXPLTTFPWXZYLC-KRWDZBQOSA-N 1 3 336.524 2.400 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CC3CCCCCC3)C2)CC1 ZINC001032207440 1193089440 /nfs/dbraw/zinc/08/94/40/1193089440.db2.gz RETDXDJGYMMYIQ-UHFFFAOYSA-N 1 3 345.531 2.350 20 30 EEEDHO C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1CC ZINC001421764955 1181489882 /nfs/dbraw/zinc/48/98/82/1181489882.db2.gz CYLGLDHQYCGITP-GXTWGEPZSA-N 1 3 346.313 2.111 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC([NH2+]CCCC3CCC3)C2)CC1 ZINC001101024780 1188387326 /nfs/dbraw/zinc/38/73/26/1188387326.db2.gz GDYNTBXKPRXKCY-UHFFFAOYSA-N 1 3 345.531 2.396 20 30 EEEDHO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001034240418 1195990672 /nfs/dbraw/zinc/99/06/72/1195990672.db2.gz IEQXIVIHTFFDJV-IEBWSBKVSA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001034240418 1195990673 /nfs/dbraw/zinc/99/06/73/1195990673.db2.gz IEQXIVIHTFFDJV-IEBWSBKVSA-N 1 3 349.519 2.177 20 30 EEEDHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CN(C)C1CCC1 ZINC001134608108 1199699768 /nfs/dbraw/zinc/69/97/68/1199699768.db2.gz QVQZNPSXOGRNNG-HOTGVXAUSA-N 1 3 342.487 2.415 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132824893 1200073034 /nfs/dbraw/zinc/07/30/34/1200073034.db2.gz WRMPKCUTTKPLBI-QZTJIDSGSA-N 1 3 333.520 2.348 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCC2)c1 ZINC000104164160 1204611566 /nfs/dbraw/zinc/61/15/66/1204611566.db2.gz WTHDCCKMMNRGES-INIZCTEOSA-N 1 3 345.491 2.292 20 30 EEEDHO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCN1C(C)C)CCO2 ZINC000949089925 1209531607 /nfs/dbraw/zinc/53/16/07/1209531607.db2.gz UKEWBILCBLRCRY-GOSISDBHSA-N 1 3 349.519 2.129 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605410 1215250035 /nfs/dbraw/zinc/25/00/35/1215250035.db2.gz AIPKWEDAYKHINT-GOSISDBHSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)CC1 ZINC001037276083 1216277607 /nfs/dbraw/zinc/27/76/07/1216277607.db2.gz GSGQNINADWXBIJ-RTBURBONSA-N 1 3 331.504 2.006 20 30 EEEDHO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027883 1217013294 /nfs/dbraw/zinc/01/32/94/1217013294.db2.gz LNOVWSCJJFPYHX-LJQANCHMSA-N 1 3 340.471 2.077 20 30 EEEDHO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027883 1217013295 /nfs/dbraw/zinc/01/32/95/1217013295.db2.gz LNOVWSCJJFPYHX-LJQANCHMSA-N 1 3 340.471 2.077 20 30 EEEDHO C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961154977 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NNXINFJEZGXGQI-GVDBMIGSSA-N 1 3 330.476 2.444 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H]1C ZINC000947723194 775931577 /nfs/dbraw/zinc/93/15/77/775931577.db2.gz SLUMLWOEVJUQTR-PXNSSMCTSA-N 1 3 341.499 2.397 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001105395784 781889099 /nfs/dbraw/zinc/88/90/99/781889099.db2.gz FLEWRYBKRRVYKR-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001105395784 781889103 /nfs/dbraw/zinc/88/91/03/781889103.db2.gz FLEWRYBKRRVYKR-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396033 781909361 /nfs/dbraw/zinc/90/93/61/781909361.db2.gz HGJOXQOHFLTTHV-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396033 781909368 /nfs/dbraw/zinc/90/93/68/781909368.db2.gz HGJOXQOHFLTTHV-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742970 784350720 /nfs/dbraw/zinc/35/07/20/784350720.db2.gz BNQPCWZAKDSMHI-JKSUJKDBSA-N 1 3 330.476 2.273 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135977317 784927258 /nfs/dbraw/zinc/92/72/58/784927258.db2.gz SBDQVQVHTCLHOO-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000997236533 789484979 /nfs/dbraw/zinc/48/49/79/789484979.db2.gz BGGGGWBWBYOODL-QGZVFWFLSA-N 1 3 341.499 2.254 20 30 EEEDHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001147826437 791984272 /nfs/dbraw/zinc/98/42/72/791984272.db2.gz VQUNVPTYGSGKRD-NVXWUHKLSA-N 1 3 346.450 2.024 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942304 793034151 /nfs/dbraw/zinc/03/41/51/793034151.db2.gz NQROPLVGUHRJOG-ROUUACIJSA-N 1 3 331.504 2.055 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999405810 794420127 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343.515 2.199 20 30 EEEDHO C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384366 795128804 /nfs/dbraw/zinc/12/88/04/795128804.db2.gz XSNVDKDNMSZGQI-FQEVSTJZSA-N 1 3 343.515 2.199 20 30 EEEDHO N#Cc1cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cs1 ZINC000921770010 795861989 /nfs/dbraw/zinc/86/19/89/795861989.db2.gz AMDWMIKYKVCXIO-GOSISDBHSA-N 1 3 327.453 2.346 20 30 EEEDHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106779921 796527734 /nfs/dbraw/zinc/52/77/34/796527734.db2.gz XUEOBRSOOACENN-HUUCEWRRSA-N 1 3 348.516 2.146 20 30 EEEDHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCNCc1ccccc1C#N ZINC001176844592 798617651 /nfs/dbraw/zinc/61/76/51/798617651.db2.gz LNLBEEYIVRKREV-IYBDPMFKSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCNCc1ccccc1C#N ZINC001176844592 798617654 /nfs/dbraw/zinc/61/76/54/798617654.db2.gz LNLBEEYIVRKREV-IYBDPMFKSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049740 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EEEDHO C=CCc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(OC)c1O ZINC000282205094 464734453 /nfs/dbraw/zinc/73/44/53/464734453.db2.gz CWPZOFFTICZYBG-UHFFFAOYSA-N 1 3 347.503 2.245 20 30 EEEDHO Cc1cc(NC2CC[NH+](C)CC2)c(C#N)c(NC2CCN(C)CC2)n1 ZINC000591593542 468487958 /nfs/dbraw/zinc/48/79/58/468487958.db2.gz LHXXFXZSGZHOFX-UHFFFAOYSA-N 1 3 342.491 2.274 20 30 EEEDHO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424139991 466988829 /nfs/dbraw/zinc/98/88/29/466988829.db2.gz AUCAIHMFRHOOCW-HNNXBMFYSA-N 1 3 329.448 2.152 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488801916 468105634 /nfs/dbraw/zinc/10/56/34/468105634.db2.gz QIHFBELFBBBEFR-JFIYKMOQSA-N 1 3 334.508 2.009 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488801916 468105636 /nfs/dbraw/zinc/10/56/36/468105636.db2.gz QIHFBELFBBBEFR-JFIYKMOQSA-N 1 3 334.508 2.009 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@](C)(C#N)C3)CC2)CC1 ZINC000594338840 468555701 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C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001022721044 678331874 /nfs/dbraw/zinc/33/18/74/678331874.db2.gz NRKMYTNVKAGSOS-CALCHBBNSA-N 1 3 335.879 2.394 20 30 EEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001024570545 681216645 /nfs/dbraw/zinc/21/66/45/681216645.db2.gz LUJHLDAQSSIYKF-LJQANCHMSA-N 1 3 341.499 2.398 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000892851188 683134942 /nfs/dbraw/zinc/13/49/42/683134942.db2.gz DXPLTTFPWXZYLC-QGZVFWFLSA-N 1 3 336.524 2.400 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025630733 683168275 /nfs/dbraw/zinc/16/82/75/683168275.db2.gz VKHULFCFKQSWDM-XLIONFOSSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025630733 683168276 /nfs/dbraw/zinc/16/82/76/683168276.db2.gz VKHULFCFKQSWDM-XLIONFOSSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC001026360559 684439033 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PSBHLIXVTOGCRX-FCEWJHQRSA-N 1 3 337.483 2.308 20 30 EEEDHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CN(C)C1CCC1 ZINC001134608109 1199699777 /nfs/dbraw/zinc/69/97/77/1199699777.db2.gz QVQZNPSXOGRNNG-HZPDHXFCSA-N 1 3 342.487 2.415 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948766785 1209360967 /nfs/dbraw/zinc/36/09/67/1209360967.db2.gz OBBJDXZOYPGTEA-LPHOPBHVSA-N 1 3 337.483 2.145 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000948766785 1209360970 /nfs/dbraw/zinc/36/09/70/1209360970.db2.gz OBBJDXZOYPGTEA-LPHOPBHVSA-N 1 3 337.483 2.145 20 30 EEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000948766785 1209360973 /nfs/dbraw/zinc/36/09/73/1209360973.db2.gz OBBJDXZOYPGTEA-LPHOPBHVSA-N 1 3 337.483 2.145 20 30 EEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000948766785 1209360975 /nfs/dbraw/zinc/36/09/75/1209360975.db2.gz OBBJDXZOYPGTEA-LPHOPBHVSA-N 1 3 337.483 2.145 20 30 EEEDHO C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCCN1C(C)C)CCO2 ZINC000949204351 1209576357 /nfs/dbraw/zinc/57/63/57/1209576357.db2.gz DGHHAZHPFWRUFX-SFHVURJKSA-N 1 3 349.519 2.129 20 30 EEEDHO CC(C)CCNC(=[NH2+])NCCCN1CCN(Cc2ccccc2)CC1 ZINC000303872542 1213916107 /nfs/dbraw/zinc/91/61/07/1213916107.db2.gz CBCUASGKJVZVKL-UHFFFAOYSA-N 1 3 345.535 2.145 20 30 EEEDHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC000960135013 1216377912 /nfs/dbraw/zinc/37/79/12/1216377912.db2.gz GQVZCKDFTMBIKL-YOEHRIQHSA-N 1 3 348.516 2.431 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COc1ccccc1OC ZINC000305688139 1216975770 /nfs/dbraw/zinc/97/57/70/1216975770.db2.gz PHWVJQXCRQQIBO-CVEARBPZSA-N 1 3 348.491 2.099 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961411343 1217179638 /nfs/dbraw/zinc/17/96/38/1217179638.db2.gz LSVQDLHNSSXCKV-QUCCMNQESA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961411343 1217179640 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EEEDHO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039128135 1230336678 /nfs/dbraw/zinc/33/66/78/1230336678.db2.gz VGKWAUCWTVGLSF-IAGOWNOFSA-N 1 3 339.911 2.394 20 30 EEEDHO C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163410 1230385467 /nfs/dbraw/zinc/38/54/67/1230385467.db2.gz CLDYDCVUQXPINX-HKUYNNGSSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163410 1230385469 /nfs/dbraw/zinc/38/54/69/1230385469.db2.gz CLDYDCVUQXPINX-HKUYNNGSSA-N 1 3 333.520 2.465 20 30 EEEDHO CC#CCN1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725200 1231663398 /nfs/dbraw/zinc/66/33/98/1231663398.db2.gz LKCIEZNBXAJBGA-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO C=CCN1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042304449 1232017090 /nfs/dbraw/zinc/01/70/90/1232017090.db2.gz NXPGUOWEOJQEKA-IEBWSBKVSA-N 1 3 331.504 2.217 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 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796844035 /nfs/dbraw/zinc/84/40/35/796844035.db2.gz CSNPIYMHKHOQLQ-FXAWDEMLSA-N 1 3 341.499 2.397 20 30 EEEDHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421241 797440112 /nfs/dbraw/zinc/44/01/12/797440112.db2.gz RFRUXCTXQBFUOJ-UHFFFAOYSA-N 1 3 342.487 2.484 20 30 EEEDHO CN(C)C1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173429347 797453639 /nfs/dbraw/zinc/45/36/39/797453639.db2.gz VHFJELDDECHQSL-UHFFFAOYSA-N 1 3 340.471 2.189 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC001177484302 798976652 /nfs/dbraw/zinc/97/66/52/798976652.db2.gz AZRDAEPFRLQASE-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001182472916 801206888 /nfs/dbraw/zinc/20/68/88/801206888.db2.gz KZXGRYOSDMINEY-WOJBJXKFSA-N 1 3 339.483 2.101 20 30 EEEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001182472916 801206916 /nfs/dbraw/zinc/20/69/16/801206916.db2.gz KZXGRYOSDMINEY-WOJBJXKFSA-N 1 3 339.483 2.101 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004458407 802112758 /nfs/dbraw/zinc/11/27/58/802112758.db2.gz LYSQFIACWQFDDZ-IBGZPJMESA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004458407 802112764 /nfs/dbraw/zinc/11/27/64/802112764.db2.gz LYSQFIACWQFDDZ-IBGZPJMESA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457410 802118645 /nfs/dbraw/zinc/11/86/45/802118645.db2.gz KQFSXIIQPIRTIV-MOPGFXCFSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004457410 802118649 /nfs/dbraw/zinc/11/86/49/802118649.db2.gz KQFSXIIQPIRTIV-MOPGFXCFSA-N 1 3 331.504 2.053 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130423300 811616444 /nfs/dbraw/zinc/61/64/44/811616444.db2.gz OOTDORQRQCRUGF-RDJZCZTQSA-N 1 3 347.507 2.122 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130423300 811616450 /nfs/dbraw/zinc/61/64/50/811616450.db2.gz OOTDORQRQCRUGF-RDJZCZTQSA-N 1 3 347.507 2.122 20 30 EEEDHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCc2ccc(C#N)s2)CC1 ZINC001480561909 1100404072 /nfs/dbraw/zinc/40/40/72/1100404072.db2.gz LIYHPFONIVQSLC-AWEZNQCLSA-N 1 3 348.516 2.334 20 30 EEEDHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380222 240461574 /nfs/dbraw/zinc/46/15/74/240461574.db2.gz HCGGSUZKQXLOAZ-SWLSCSKDSA-N 1 3 326.366 2.045 20 30 EEEDHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418442711 270019767 /nfs/dbraw/zinc/01/97/67/270019767.db2.gz UEOPUCAZXNXXLM-UHFFFAOYSA-N 1 3 345.491 2.149 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)C3(C#N)CCCCC3)CC2)CC1 ZINC000050797028 463010775 /nfs/dbraw/zinc/01/07/75/463010775.db2.gz APXINPUEUUSCOB-UHFFFAOYSA-N 1 3 332.492 2.135 20 30 EEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171724264 463913266 /nfs/dbraw/zinc/91/32/66/463913266.db2.gz QWXAMRPWJNJPED-BRWVUGGUSA-N 1 3 336.524 2.302 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCOCc1ccccc1 ZINC000264318451 464294461 /nfs/dbraw/zinc/29/44/61/464294461.db2.gz XAOAMDBZQKZDJC-SFHVURJKSA-N 1 3 332.492 2.372 20 30 EEEDHO O=C(CN1CCC(c2ncc[nH]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329823606 465445208 /nfs/dbraw/zinc/44/52/08/465445208.db2.gz HQCIVPOLHWOPLW-UHFFFAOYSA-N 1 3 331.464 2.172 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000340962801 466469919 /nfs/dbraw/zinc/46/99/19/466469919.db2.gz SVIOCGXGGLNDLF-KZNAEPCWSA-N 1 3 336.524 2.467 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000340962801 466469924 /nfs/dbraw/zinc/46/99/24/466469924.db2.gz SVIOCGXGGLNDLF-KZNAEPCWSA-N 1 3 336.524 2.467 20 30 EEEDHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424181653 466998013 /nfs/dbraw/zinc/99/80/13/466998013.db2.gz ROFNHILNEYBHSX-AEFFLSMTSA-N 1 3 328.460 2.131 20 30 EEEDHO CCN(C[C@H](C)C#N)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566439196 468151939 /nfs/dbraw/zinc/15/19/39/468151939.db2.gz DFZGZTDMCWLMOU-MRXNPFEDSA-N 1 3 334.508 2.191 20 30 EEEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391685 468164724 /nfs/dbraw/zinc/16/47/24/468164724.db2.gz VGDJRZXHXLWHSW-MOPGFXCFSA-N 1 3 345.487 2.202 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000490800517 468252410 /nfs/dbraw/zinc/25/24/10/468252410.db2.gz SPYRIUPTMJLYJK-MOPGFXCFSA-N 1 3 333.520 2.348 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3(C#N)CCC3)CC2)CC1 ZINC000571892705 468855313 /nfs/dbraw/zinc/85/53/13/468855313.db2.gz KJEHFCFXTQLJNZ-UHFFFAOYSA-N 1 3 332.492 2.087 20 30 EEEDHO CC[NH+]1CCN(Cc2ccc(CNCc3cccc(C#N)n3)cc2)CC1 ZINC000602514485 469345152 /nfs/dbraw/zinc/34/51/52/469345152.db2.gz NKRVYFGQNJRZMW-UHFFFAOYSA-N 1 3 349.482 2.381 20 30 EEEDHO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000106341124 526584936 /nfs/dbraw/zinc/58/49/36/526584936.db2.gz DGGVMHJSNKHBGT-UHFFFAOYSA-N 1 3 334.508 2.297 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795131 676799999 /nfs/dbraw/zinc/79/99/99/676799999.db2.gz PHPQTGGTUWFVCA-RTBURBONSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795131 676800000 /nfs/dbraw/zinc/80/00/00/676800000.db2.gz PHPQTGGTUWFVCA-RTBURBONSA-N 1 3 340.471 2.075 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000972264926 678467939 /nfs/dbraw/zinc/46/79/39/678467939.db2.gz IRZUKZYKGZAKDR-RBUKOAKNSA-N 1 3 342.487 2.177 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C(C)(C)C1 ZINC000974665705 685191848 /nfs/dbraw/zinc/19/18/48/685191848.db2.gz SKDASQZJIHHAFW-QZTJIDSGSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C(C)(C)C1 ZINC000974665705 685191850 /nfs/dbraw/zinc/19/18/50/685191850.db2.gz SKDASQZJIHHAFW-QZTJIDSGSA-N 1 3 349.519 2.033 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088415050 1186828899 /nfs/dbraw/zinc/82/88/99/1186828899.db2.gz ZVSXJBIEVROQGJ-OAHLLOKOSA-N 1 3 325.884 2.196 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991068779 1189835040 /nfs/dbraw/zinc/83/50/40/1189835040.db2.gz PQQCTWQQCAGIKV-CMKODMSKSA-N 1 3 331.504 2.386 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000991068779 1189835051 /nfs/dbraw/zinc/83/50/51/1189835051.db2.gz PQQCTWQQCAGIKV-CMKODMSKSA-N 1 3 331.504 2.386 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001034539200 1196363320 /nfs/dbraw/zinc/36/33/20/1196363320.db2.gz XLIXWGJCCWPOQH-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC(=C)C)C2)CC1 ZINC001034539200 1196363324 /nfs/dbraw/zinc/36/33/24/1196363324.db2.gz XLIXWGJCCWPOQH-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001034974957 1196931944 /nfs/dbraw/zinc/93/19/44/1196931944.db2.gz MLARBIKMCZVTEY-SJLPKXTDSA-N 1 3 346.450 2.118 20 30 EEEDHO C=CCN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001274493083 1205057315 /nfs/dbraw/zinc/05/73/15/1205057315.db2.gz ZVKXNHLUCUWVAX-FQEVSTJZSA-N 1 3 345.462 2.498 20 30 EEEDHO C=CCN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001274493083 1205057319 /nfs/dbraw/zinc/05/73/19/1205057319.db2.gz ZVKXNHLUCUWVAX-FQEVSTJZSA-N 1 3 345.462 2.498 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961400527 1217175731 /nfs/dbraw/zinc/17/57/31/1217175731.db2.gz HSNWQJVWYZQYMF-RTBURBONSA-N 1 3 333.520 2.156 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961400527 1217175733 /nfs/dbraw/zinc/17/57/33/1217175733.db2.gz HSNWQJVWYZQYMF-RTBURBONSA-N 1 3 333.520 2.156 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961410818 1217179537 /nfs/dbraw/zinc/17/95/37/1217179537.db2.gz JJRATWNIPVTAPF-MOPGFXCFSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961410818 1217179538 /nfs/dbraw/zinc/17/95/38/1217179538.db2.gz JJRATWNIPVTAPF-MOPGFXCFSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC000961434860 1217189081 /nfs/dbraw/zinc/18/90/81/1217189081.db2.gz IVKCWZHPROJDEX-VQTJNVASSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC000961434860 1217189083 /nfs/dbraw/zinc/18/90/83/1217189083.db2.gz IVKCWZHPROJDEX-VQTJNVASSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913899 1221665228 /nfs/dbraw/zinc/66/52/28/1221665228.db2.gz LNSJEBASTLOEIM-GOSISDBHSA-N 1 3 331.504 2.247 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016818411 1226902057 /nfs/dbraw/zinc/90/20/57/1226902057.db2.gz DKQKHJUWKLJYFP-OXJNMPFZSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154336 1230374620 /nfs/dbraw/zinc/37/46/20/1230374620.db2.gz VHADBARPGTZHPF-RBUKOAKNSA-N 1 3 333.520 2.156 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154336 1230374623 /nfs/dbraw/zinc/37/46/23/1230374623.db2.gz VHADBARPGTZHPF-RBUKOAKNSA-N 1 3 333.520 2.156 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040488222 1231257554 /nfs/dbraw/zinc/25/75/54/1231257554.db2.gz IZOMNPPXOJDKTD-NRFANRHFSA-N 1 3 343.515 2.056 20 30 EEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001040953217 1231408857 /nfs/dbraw/zinc/40/88/57/1231408857.db2.gz LCKCRSNUBRATLE-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C[C@H](F)CC)C3)C2)CC1 ZINC001041844979 1231728448 /nfs/dbraw/zinc/72/84/48/1231728448.db2.gz QRURZLCTNUOKFU-UYAOXDASSA-N 1 3 349.494 2.004 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C[C@H](F)CC)C3)C2)CC1 ZINC001041844979 1231728450 /nfs/dbraw/zinc/72/84/50/1231728450.db2.gz QRURZLCTNUOKFU-UYAOXDASSA-N 1 3 349.494 2.004 20 30 EEEDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CN1CCCC1 ZINC001044856960 1233319038 /nfs/dbraw/zinc/31/90/38/1233319038.db2.gz CSNLZENMDYJPRO-LPHOPBHVSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CC=C(C)C)CC2)CC1 ZINC001045646312 1233880199 /nfs/dbraw/zinc/88/01/99/1233880199.db2.gz FYJGJYYUPPCVGJ-UHFFFAOYSA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048530755 1237885162 /nfs/dbraw/zinc/88/51/62/1237885162.db2.gz AUKCIYYGZHGRBQ-RDGPPVDQSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1CCC)C2 ZINC001048530755 1237885174 /nfs/dbraw/zinc/88/51/74/1237885174.db2.gz AUKCIYYGZHGRBQ-RDGPPVDQSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001054182329 1247635870 /nfs/dbraw/zinc/63/58/70/1247635870.db2.gz HRXQBIYPERMABK-PZJWPPBQSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001054182329 1247635877 /nfs/dbraw/zinc/63/58/77/1247635877.db2.gz HRXQBIYPERMABK-PZJWPPBQSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244844 1247858812 /nfs/dbraw/zinc/85/88/12/1247858812.db2.gz JUJLCOUWFKWHLP-HXUWFJFHSA-N 1 3 331.504 2.200 20 30 EEEDHO C=C(Br)CNC1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100896858 1259407803 /nfs/dbraw/zinc/40/78/03/1259407803.db2.gz OKAWYRCEORISHD-UHFFFAOYSA-N 1 3 346.313 2.111 20 30 EEEDHO C=C(Br)CNC1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100896858 1259407806 /nfs/dbraw/zinc/40/78/06/1259407806.db2.gz OKAWYRCEORISHD-UHFFFAOYSA-N 1 3 346.313 2.111 20 30 EEEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185740866 1278768336 /nfs/dbraw/zinc/76/83/36/1278768336.db2.gz FOTSHFAKQIZQIP-XLIONFOSSA-N 1 3 341.499 2.459 20 30 EEEDHO C=CCCN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960695 1285444657 /nfs/dbraw/zinc/44/46/57/1285444657.db2.gz LGXUDEPZCBJUQO-WMZOPIPTSA-N 1 3 345.487 2.360 20 30 EEEDHO C=CCCN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960695 1285444662 /nfs/dbraw/zinc/44/46/62/1285444662.db2.gz LGXUDEPZCBJUQO-WMZOPIPTSA-N 1 3 345.487 2.360 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073634457 1297335153 /nfs/dbraw/zinc/33/51/53/1297335153.db2.gz SFLOMLFZJFHAMI-RBUKOAKNSA-N 1 3 349.519 2.177 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073634457 1297335167 /nfs/dbraw/zinc/33/51/67/1297335167.db2.gz SFLOMLFZJFHAMI-RBUKOAKNSA-N 1 3 349.519 2.177 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539233 1299198294 /nfs/dbraw/zinc/19/82/94/1299198294.db2.gz ZOMOCZBEPDHLFA-MANSERQUSA-N 1 3 333.520 2.463 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539233 1299198303 /nfs/dbraw/zinc/19/83/03/1299198303.db2.gz ZOMOCZBEPDHLFA-MANSERQUSA-N 1 3 333.520 2.463 20 30 EEEDHO CC#CCN1CCC(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001223928718 1300335645 /nfs/dbraw/zinc/33/56/45/1300335645.db2.gz JCNGDDNGUIGOPW-UHFFFAOYSA-N 1 3 333.520 2.350 20 30 EEEDHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)N(C)C ZINC001224583334 1300659456 /nfs/dbraw/zinc/65/94/56/1300659456.db2.gz QLPJXOWWPUAGDY-IBGZPJMESA-N 1 3 342.487 2.227 20 30 EEEDHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001228366097 1302226390 /nfs/dbraw/zinc/22/63/90/1302226390.db2.gz MRQBHOKECWFJNA-RTBURBONSA-N 1 3 327.472 2.007 20 30 EEEDHO C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001229463158 1302794507 /nfs/dbraw/zinc/79/45/07/1302794507.db2.gz ZMNYNYBCWBGULC-GOSISDBHSA-N 1 3 337.508 2.033 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1)[NH+](C)C ZINC001277981607 1305561563 /nfs/dbraw/zinc/56/15/63/1305561563.db2.gz NSKXWZRAWPEFAD-WOJBJXKFSA-N 1 3 341.499 2.205 20 30 EEEDHO C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 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C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563768 798497602 /nfs/dbraw/zinc/49/76/02/798497602.db2.gz HEDSNTIIGOZARL-LPHOPBHVSA-N 1 3 342.487 2.275 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004549151 802350185 /nfs/dbraw/zinc/35/01/85/802350185.db2.gz UVOQQEYRXKNFDG-HKUYNNGSSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004549151 802350195 /nfs/dbraw/zinc/35/01/95/802350195.db2.gz UVOQQEYRXKNFDG-HKUYNNGSSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086497465 803129048 /nfs/dbraw/zinc/12/90/48/803129048.db2.gz NDTIMGULEJYQAL-BZUAXINKSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086497465 803129051 /nfs/dbraw/zinc/12/90/51/803129051.db2.gz NDTIMGULEJYQAL-BZUAXINKSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086522712 803244048 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EEEDHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000971686666 676740430 /nfs/dbraw/zinc/74/04/30/676740430.db2.gz DGYDDYBADQRWNS-LJQANCHMSA-N 1 3 340.471 2.075 20 30 EEEDHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000971686666 676740431 /nfs/dbraw/zinc/74/04/31/676740431.db2.gz DGYDDYBADQRWNS-LJQANCHMSA-N 1 3 340.471 2.075 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001023128167 679136177 /nfs/dbraw/zinc/13/61/77/679136177.db2.gz SFGUOJKCKVKABD-BGYRXZFFSA-N 1 3 343.515 2.459 20 30 EEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001023695676 679486361 /nfs/dbraw/zinc/48/63/61/679486361.db2.gz FBORZTMHSMJBMJ-RBUKOAKNSA-N 1 3 333.520 2.493 20 30 EEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695676 679486363 /nfs/dbraw/zinc/48/63/63/679486363.db2.gz FBORZTMHSMJBMJ-RBUKOAKNSA-N 1 3 333.520 2.493 20 30 EEEDHO CC1(C)CCCN1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000263188928 679567638 /nfs/dbraw/zinc/56/76/38/679567638.db2.gz VGWPOGGSHFRLMA-UHFFFAOYSA-N 1 3 332.448 2.449 20 30 EEEDHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001025492779 682918638 /nfs/dbraw/zinc/91/86/38/682918638.db2.gz FBWOZNLWVOUUCV-MJGOQNOKSA-N 1 3 341.499 2.254 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001025631226 683169764 /nfs/dbraw/zinc/16/97/64/683169764.db2.gz YRACNXQNPWSHBA-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001025631226 683169765 /nfs/dbraw/zinc/16/97/65/683169765.db2.gz YRACNXQNPWSHBA-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3)C2)CC1 ZINC000985155287 685990815 /nfs/dbraw/zinc/99/08/15/685990815.db2.gz ULHZETYLNPBDQU-KESTWPANSA-N 1 3 339.483 2.016 20 30 EEEDHO CCc1cnc(CNC(=[NH+]C)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000262815058 688537601 /nfs/dbraw/zinc/53/76/01/688537601.db2.gz VIUKNNTWKPMZBR-AWEZNQCLSA-N 1 3 335.521 2.341 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001027463648 692211962 /nfs/dbraw/zinc/21/19/62/692211962.db2.gz GENMLEAWKUFCSE-RTBURBONSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001027463648 692211967 /nfs/dbraw/zinc/21/19/67/692211967.db2.gz GENMLEAWKUFCSE-RTBURBONSA-N 1 3 342.487 2.321 20 30 EEEDHO C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1CC ZINC001421764979 1181490484 /nfs/dbraw/zinc/49/04/84/1181490484.db2.gz CYLGLDHQYCGITP-OCCSQVGLSA-N 1 3 346.313 2.111 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212288 1187084926 /nfs/dbraw/zinc/08/49/26/1187084926.db2.gz XUVHGZGEEIKBMK-ZIAGYGMSSA-N 1 3 335.414 2.272 20 30 EEEDHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001485882002 1193628296 /nfs/dbraw/zinc/62/82/96/1193628296.db2.gz NHHYOWCUPCLIFZ-ZDUSSCGKSA-N 1 3 334.489 2.041 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991068781 1189834658 /nfs/dbraw/zinc/83/46/58/1189834658.db2.gz PQQCTWQQCAGIKV-NLWGTHIKSA-N 1 3 331.504 2.386 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000991068781 1189834668 /nfs/dbraw/zinc/83/46/68/1189834668.db2.gz PQQCTWQQCAGIKV-NLWGTHIKSA-N 1 3 331.504 2.386 20 30 EEEDHO C#Cc1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001276096383 1205779712 /nfs/dbraw/zinc/77/97/12/1205779712.db2.gz IYVCYJJTXXNFPC-UHFFFAOYSA-N 1 3 334.467 2.462 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COCc1ccccc1 ZINC000303876273 1213917265 /nfs/dbraw/zinc/91/72/65/1213917265.db2.gz IBFWFPXRWLEZTC-AEFFLSMTSA-N 1 3 332.492 2.228 20 30 EEEDHO CCc1ccc(NC(=[NH2+])NC[C@H](C)CN2CCN(CC)CC2)cc1 ZINC000303890937 1213921620 /nfs/dbraw/zinc/92/16/20/1213921620.db2.gz QIFAPEFIGBZUFS-INIZCTEOSA-N 1 3 331.508 2.249 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957561032 1215212114 /nfs/dbraw/zinc/21/21/14/1215212114.db2.gz DPKMTJAQZRDKMD-UHFFFAOYSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016908388 1226962476 /nfs/dbraw/zinc/96/24/76/1226962476.db2.gz YNOCPXMQBFFLAO-GOSISDBHSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC2CC2)CC1 ZINC001040014221 1230964101 /nfs/dbraw/zinc/96/41/01/1230964101.db2.gz HMCVMOLGVUMZBT-BGYRXZFFSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC2CC2)CC1 ZINC001040014221 1230964105 /nfs/dbraw/zinc/96/41/05/1230964105.db2.gz HMCVMOLGVUMZBT-BGYRXZFFSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040911222 1231402493 /nfs/dbraw/zinc/40/24/93/1231402493.db2.gz AGOOFSXISRUCDO-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC001042268373 1231993769 /nfs/dbraw/zinc/99/37/69/1231993769.db2.gz CJNIBOBMRRKAEX-AZUAARDMSA-N 1 3 339.483 2.308 20 30 EEEDHO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 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331.504 2.338 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027607 1245707095 /nfs/dbraw/zinc/70/70/95/1245707095.db2.gz FKUAVYBORIJJST-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027607 1245707100 /nfs/dbraw/zinc/70/71/00/1245707100.db2.gz FKUAVYBORIJJST-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052590199 1247620708 /nfs/dbraw/zinc/62/07/08/1247620708.db2.gz VXQZPBDAEMRCRR-LJQANCHMSA-N 1 3 341.499 2.398 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185751319 1278785646 /nfs/dbraw/zinc/78/56/46/1278785646.db2.gz OZWYNSOWIHKKBB-QZTJIDSGSA-N 1 3 341.499 2.459 20 30 EEEDHO C=CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)c1ccccc1OC ZINC001198776104 1285354311 /nfs/dbraw/zinc/35/43/11/1285354311.db2.gz MPFBELLXASNIBR-DLBZAZTESA-N 1 3 333.476 2.358 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001215972885 1297029228 /nfs/dbraw/zinc/02/92/28/1297029228.db2.gz BQIICQKNNQAYHO-QZTJIDSGSA-N 1 3 339.524 2.138 20 30 EEEDHO C=CCCCN1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037456 1297914612 /nfs/dbraw/zinc/91/46/12/1297914612.db2.gz LKKRURTZHHCMLG-RBUKOAKNSA-N 1 3 349.519 2.130 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703140 1301935199 /nfs/dbraw/zinc/93/51/99/1301935199.db2.gz CCVMVHHFFKAHHE-GUDVDZBRSA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCC(C)C)CC2)CC1 ZINC001230355106 1303175528 /nfs/dbraw/zinc/17/55/28/1303175528.db2.gz SPNGPNKHKLKQIF-UHFFFAOYSA-N 1 3 333.520 2.348 20 30 EEEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC001115288667 1304906541 /nfs/dbraw/zinc/90/65/41/1304906541.db2.gz WJZZQTLXPUUOSZ-BWTSREIZSA-N 1 3 327.472 2.374 20 30 EEEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC001115288667 1304906545 /nfs/dbraw/zinc/90/65/45/1304906545.db2.gz WJZZQTLXPUUOSZ-BWTSREIZSA-N 1 3 327.472 2.374 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121595620 1310063078 /nfs/dbraw/zinc/06/30/78/1310063078.db2.gz UIUXWIWHSSVQFF-BBWFWOEESA-N 1 3 346.523 2.192 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001121595620 1310063086 /nfs/dbraw/zinc/06/30/86/1310063086.db2.gz UIUXWIWHSSVQFF-BBWFWOEESA-N 1 3 346.523 2.192 20 30 EEEDHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114541 1314812571 /nfs/dbraw/zinc/81/25/71/1314812571.db2.gz WYANKZZLJCRKCW-VQTJNVASSA-N 1 3 337.471 2.250 20 30 EEEDHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114541 1314812574 /nfs/dbraw/zinc/81/25/74/1314812574.db2.gz WYANKZZLJCRKCW-VQTJNVASSA-N 1 3 337.471 2.250 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](CC)c2ccc(F)cc2)CC1 ZINC001152329815 1316657692 /nfs/dbraw/zinc/65/76/92/1316657692.db2.gz BKBUXSYFPOHMDQ-LJQANCHMSA-N 1 3 345.462 2.328 20 30 EEEDHO CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904505 1317378328 /nfs/dbraw/zinc/37/83/28/1317378328.db2.gz VJLDDLXLQZMDRS-MRXNPFEDSA-N 1 3 330.476 2.227 20 30 EEEDHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCCNCc1ccccc1C#N ZINC001160274186 1320119777 /nfs/dbraw/zinc/11/97/77/1320119777.db2.gz QFVDKOUYSQHINZ-SFHVURJKSA-N 1 3 328.460 2.029 20 30 EEEDHO C[N@H+]1CCC[C@H]1CCC(=O)NCCCNCc1ccccc1C#N ZINC001160274186 1320119779 /nfs/dbraw/zinc/11/97/79/1320119779.db2.gz QFVDKOUYSQHINZ-SFHVURJKSA-N 1 3 328.460 2.029 20 30 EEEDHO CN(C)/C=N/c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC001163328486 1321099203 /nfs/dbraw/zinc/09/92/03/1321099203.db2.gz QEGBEACYRJSRFF-BNZXWLTMSA-N 1 3 327.432 2.103 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164450189 1321383034 /nfs/dbraw/zinc/38/30/34/1321383034.db2.gz ZXESGCSBZCUEEW-CQSZACIVSA-N 1 3 346.313 2.113 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164450189 1321383039 /nfs/dbraw/zinc/38/30/39/1321383039.db2.gz ZXESGCSBZCUEEW-CQSZACIVSA-N 1 3 346.313 2.113 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001166541780 1321739423 /nfs/dbraw/zinc/73/94/23/1321739423.db2.gz OFDGBMNMNHQDNK-UHFFFAOYSA-N 1 3 327.900 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]C/C=C\Cl)C23CCC3)CC1 ZINC001203773658 1321958528 /nfs/dbraw/zinc/95/85/28/1321958528.db2.gz WDADVJAGSILCKV-JNZXNGNHSA-N 1 3 349.906 2.101 20 30 EEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001209221285 1324860466 /nfs/dbraw/zinc/86/04/66/1324860466.db2.gz AKZUCEFCSKTKCH-IEBWSBKVSA-N 1 3 331.504 2.387 20 30 EEEDHO CC#CCN[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209221285 1324860471 /nfs/dbraw/zinc/86/04/71/1324860471.db2.gz AKZUCEFCSKTKCH-IEBWSBKVSA-N 1 3 331.504 2.387 20 30 EEEDHO C[NH+](C)CCC(=O)N1CCC[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001209419594 1324929399 /nfs/dbraw/zinc/92/93/99/1324929399.db2.gz OKUHVKKNADLXEO-SFHVURJKSA-N 1 3 347.890 2.224 20 30 EEEDHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001209446013 1324934251 /nfs/dbraw/zinc/93/42/51/1324934251.db2.gz QFBLMHQOVLKCFC-GOSISDBHSA-N 1 3 347.890 2.224 20 30 EEEDHO N#Cc1ccnc(C[NH2+][C@@]23CC[C@@](NCc4cn[nH]c4)(C2)CCC3)c1 ZINC001276687055 1325338052 /nfs/dbraw/zinc/33/80/52/1325338052.db2.gz KVWSHDHURHCSEW-MOPGFXCFSA-N 1 3 336.443 2.401 20 30 EEEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001357572677 1373217039 /nfs/dbraw/zinc/21/70/39/1373217039.db2.gz JRXILPVHCPXHMV-RBUKOAKNSA-N 1 3 345.487 2.077 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C1CCC1 ZINC001367862043 1374291068 /nfs/dbraw/zinc/29/10/68/1374291068.db2.gz MGGLNAMNWHQCCZ-HOCLYGCPSA-N 1 3 327.900 2.488 20 30 EEEDHO N#Cc1ccc(CNC2(CNC(=O)CCC[NH+]3CCCC3)CC2)cc1 ZINC001375550570 1377839975 /nfs/dbraw/zinc/83/99/75/1377839975.db2.gz BCEOQWRUGHUWDV-UHFFFAOYSA-N 1 3 340.471 2.173 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396019 1379203469 /nfs/dbraw/zinc/20/34/69/1379203469.db2.gz UJKQUHRUZJJKRL-QFBILLFUSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001377396019 1379203474 /nfs/dbraw/zinc/20/34/74/1379203474.db2.gz UJKQUHRUZJJKRL-QFBILLFUSA-N 1 3 342.487 2.369 20 30 EEEDHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC001397125161 1391095104 /nfs/dbraw/zinc/09/51/04/1391095104.db2.gz ZTPHYCHYSGLSLL-IYARVYRRSA-N 1 3 340.471 2.027 20 30 EEEDHO C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001046990745 1410222358 /nfs/dbraw/zinc/22/23/58/1410222358.db2.gz VCIDALQQOMXIPB-ZDUSSCGKSA-N 1 3 338.402 2.021 20 30 EEEDHO C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001046990745 1410222362 /nfs/dbraw/zinc/22/23/62/1410222362.db2.gz VCIDALQQOMXIPB-ZDUSSCGKSA-N 1 3 338.402 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)[C@@H]2CC)CC1 ZINC001087839014 782343924 /nfs/dbraw/zinc/34/39/24/782343924.db2.gz HXXRDTTUXSNGIN-RBUKOAKNSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2CC)CC1 ZINC001087839014 782343934 /nfs/dbraw/zinc/34/39/34/782343934.db2.gz HXXRDTTUXSNGIN-RBUKOAKNSA-N 1 3 331.504 2.267 20 30 EEEDHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1)N(C)C ZINC001167258117 757585382 /nfs/dbraw/zinc/58/53/82/757585382.db2.gz QNJMWMQVYAKDKQ-SFHVURJKSA-N 1 3 342.487 2.275 20 30 EEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291910 758132571 /nfs/dbraw/zinc/13/25/71/758132571.db2.gz ZLMDPXFEFPSKEL-WQVCFCJDSA-N 1 3 327.900 2.153 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449445 760423784 /nfs/dbraw/zinc/42/37/84/760423784.db2.gz JDXUUYGPSHRAIF-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449445 760423787 /nfs/dbraw/zinc/42/37/87/760423787.db2.gz JDXUUYGPSHRAIF-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 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ZINC001089059874 792024553 /nfs/dbraw/zinc/02/45/53/792024553.db2.gz GJRTVECYBPBDPU-XLIONFOSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)[C@@H]2C)CC1 ZINC001089059874 792024562 /nfs/dbraw/zinc/02/45/62/792024562.db2.gz GJRTVECYBPBDPU-XLIONFOSSA-N 1 3 345.531 2.491 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998278213 792439659 /nfs/dbraw/zinc/43/96/59/792439659.db2.gz RQOQNCOUOVWMMF-ZIAGYGMSSA-N 1 3 347.425 2.416 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298823 792504182 /nfs/dbraw/zinc/50/41/82/792504182.db2.gz YYRZJNUIUYBEMZ-UONOGXRCSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001040488223 793170104 /nfs/dbraw/zinc/17/01/04/793170104.db2.gz IZOMNPPXOJDKTD-OAQYLSRUSA-N 1 3 343.515 2.056 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947724 793452144 /nfs/dbraw/zinc/45/21/44/793452144.db2.gz MHILQRMLPLDQRK-QFUCXCTJSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947724 793452147 /nfs/dbraw/zinc/45/21/47/793452147.db2.gz MHILQRMLPLDQRK-QFUCXCTJSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013353 793505748 /nfs/dbraw/zinc/50/57/48/793505748.db2.gz ODVDYXYPDSMXPY-UXPWSPDFSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013353 793505751 /nfs/dbraw/zinc/50/57/51/793505751.db2.gz ODVDYXYPDSMXPY-UXPWSPDFSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502230 794436416 /nfs/dbraw/zinc/43/64/16/794436416.db2.gz BBEULVHARCPPND-FPOVZHCZSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502230 794436423 /nfs/dbraw/zinc/43/64/23/794436423.db2.gz BBEULVHARCPPND-FPOVZHCZSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093373926 795107010 /nfs/dbraw/zinc/10/70/10/795107010.db2.gz VBYNPAFZIWTBHX-RTBURBONSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093373926 795107011 /nfs/dbraw/zinc/10/70/11/795107011.db2.gz VBYNPAFZIWTBHX-RTBURBONSA-N 1 3 345.531 2.443 20 30 EEEDHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172969456 797175330 /nfs/dbraw/zinc/17/53/30/797175330.db2.gz WAZQFVXNRAZJAS-OAGGEKHMSA-N 1 3 336.480 2.209 20 30 EEEDHO C[N@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172969456 797175332 /nfs/dbraw/zinc/17/53/32/797175332.db2.gz WAZQFVXNRAZJAS-OAGGEKHMSA-N 1 3 336.480 2.209 20 30 EEEDHO CN1CC2(C1)CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172989315 797182588 /nfs/dbraw/zinc/18/25/88/797182588.db2.gz GOLUDXQNXWQFAZ-CVEARBPZSA-N 1 3 348.491 2.306 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@@H]1C ZINC001179857100 800134872 /nfs/dbraw/zinc/13/48/72/800134872.db2.gz RSULWASLBBCYKZ-KSSFIOAISA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@@H]1C ZINC001179857100 800134875 /nfs/dbraw/zinc/13/48/75/800134875.db2.gz RSULWASLBBCYKZ-KSSFIOAISA-N 1 3 346.450 2.118 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001179976518 800194165 /nfs/dbraw/zinc/19/41/65/800194165.db2.gz RTABMCGZUMOGDA-YOEHRIQHSA-N 1 3 348.516 2.431 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)[C@@H]1C ZINC001179976518 800194169 /nfs/dbraw/zinc/19/41/69/800194169.db2.gz RTABMCGZUMOGDA-YOEHRIQHSA-N 1 3 348.516 2.431 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004538187 802321284 /nfs/dbraw/zinc/32/12/84/802321284.db2.gz ARTVAQJDMKLBCT-RBUKOAKNSA-N 1 3 333.520 2.299 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004538187 802321293 /nfs/dbraw/zinc/32/12/93/802321293.db2.gz 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1320985289 /nfs/dbraw/zinc/98/52/89/1320985289.db2.gz MTBHBBMDDOTZDW-ICSRJNTNSA-N 1 3 341.499 2.011 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425718 1321717257 /nfs/dbraw/zinc/71/72/57/1321717257.db2.gz SYRDTNBZEHGCMN-CYBMUJFWSA-N 1 3 334.302 2.111 20 30 EEEDHO CCC(CC)Nc1ccncc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001577078376 1344087694 /nfs/dbraw/zinc/08/76/94/1344087694.db2.gz YKAOIOBNTXRJTP-SHYRYGCCSA-N 1 3 341.459 2.182 20 30 EEEDHO C#CCC[N@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001673079541 1356644677 /nfs/dbraw/zinc/64/46/77/1356644677.db2.gz FGYMHSNUBFOKQG-LJQANCHMSA-N 1 3 327.472 2.024 20 30 EEEDHO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)N(C)C)cccc2C1 ZINC001673079541 1356644680 /nfs/dbraw/zinc/64/46/80/1356644680.db2.gz FGYMHSNUBFOKQG-LJQANCHMSA-N 1 3 327.472 2.024 20 30 EEEDHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372674643 1376131282 /nfs/dbraw/zinc/13/12/82/1376131282.db2.gz VFIHCAXVZLZQPF-LJQANCHMSA-N 1 3 342.487 2.228 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372674643 1376131288 /nfs/dbraw/zinc/13/12/88/1376131288.db2.gz VFIHCAXVZLZQPF-LJQANCHMSA-N 1 3 342.487 2.228 20 30 EEEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001752836911 1406466710 /nfs/dbraw/zinc/46/67/10/1406466710.db2.gz PYVGBZMPXILRLS-ROUUACIJSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001752836911 1406466714 /nfs/dbraw/zinc/46/67/14/1406466714.db2.gz PYVGBZMPXILRLS-ROUUACIJSA-N 1 3 333.520 2.491 20 30 EEEDHO CN(CC(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001398404334 1392470935 /nfs/dbraw/zinc/47/09/35/1392470935.db2.gz KPTSWZOCHMCKPV-LJQANCHMSA-N 1 3 340.471 2.027 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595447 1397465429 /nfs/dbraw/zinc/46/54/29/1397465429.db2.gz FVZUBVVGZBJFHM-WMLDXEAASA-N 1 3 348.516 2.336 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001402066448 1397744394 /nfs/dbraw/zinc/74/43/94/1397744394.db2.gz RGDRTXWHHBTGFL-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001402575759 1398066975 /nfs/dbraw/zinc/06/69/75/1398066975.db2.gz SKIRBQWUWHWIMW-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001402575759 1398066980 /nfs/dbraw/zinc/06/69/80/1398066980.db2.gz SKIRBQWUWHWIMW-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001425914294 1401801121 /nfs/dbraw/zinc/80/11/21/1401801121.db2.gz LWUJNSJALGRZCT-UONOGXRCSA-N 1 3 334.489 2.041 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001425914294 1401801124 /nfs/dbraw/zinc/80/11/24/1401801124.db2.gz LWUJNSJALGRZCT-UONOGXRCSA-N 1 3 334.489 2.041 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448092 760371039 /nfs/dbraw/zinc/37/10/39/760371039.db2.gz NOVQMYCQJCSJIK-UYAOXDASSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448092 760371047 /nfs/dbraw/zinc/37/10/47/760371047.db2.gz NOVQMYCQJCSJIK-UYAOXDASSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087315571 761603235 /nfs/dbraw/zinc/60/32/35/761603235.db2.gz DZLZNAAYRGHVSO-ZTFGCOKTSA-N 1 3 330.476 2.442 20 30 EEEDHO C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087315571 761603241 /nfs/dbraw/zinc/60/32/41/761603241.db2.gz DZLZNAAYRGHVSO-ZTFGCOKTSA-N 1 3 330.476 2.442 20 30 EEEDHO C=CCN1CCCC2(CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982012600 778863150 /nfs/dbraw/zinc/86/31/50/778863150.db2.gz AWNGXHWWVIJGDQ-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C=CCN1CCCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982012600 778863160 /nfs/dbraw/zinc/86/31/60/778863160.db2.gz AWNGXHWWVIJGDQ-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C[NH+](C)C1(CC(=O)NCCNCc2ccc(F)c(C#N)c2)CCCC1 ZINC001131835065 783335309 /nfs/dbraw/zinc/33/53/09/783335309.db2.gz MNDNFKRVYPDKOE-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO C[NH+](C)C1(CC(=O)NCCNCc2ccc(C#N)c(F)c2)CCCC1 ZINC001131835258 783335888 /nfs/dbraw/zinc/33/58/88/783335888.db2.gz QZTORIBXLHBCHV-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135743602 784352840 /nfs/dbraw/zinc/35/28/40/784352840.db2.gz MTJKEQXQTGEWNU-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001135857326 784638191 /nfs/dbraw/zinc/63/81/91/784638191.db2.gz GTRXGEZLBDCXDK-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001135857326 784638199 /nfs/dbraw/zinc/63/81/99/784638199.db2.gz GTRXGEZLBDCXDK-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997785815 791081509 /nfs/dbraw/zinc/08/15/09/791081509.db2.gz FDSHGCHHYBOGPP-PKOBYXMFSA-N 1 3 333.520 2.489 20 30 EEEDHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818984605 785351047 /nfs/dbraw/zinc/35/10/47/785351047.db2.gz JBMPSCHVJQQPPH-LJQANCHMSA-N 1 3 339.439 2.322 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911752553 787689371 /nfs/dbraw/zinc/68/93/71/787689371.db2.gz WHWQXOOAUHJNOZ-ZBFHGGJFSA-N 1 3 345.443 2.218 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000996994821 788390101 /nfs/dbraw/zinc/39/01/01/788390101.db2.gz KCRHPXDKXDOHJH-INIZCTEOSA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CCN1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147984836 792108233 /nfs/dbraw/zinc/10/82/33/792108233.db2.gz APSHCKWYUQJCFH-UHFFFAOYSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001147984836 792108240 /nfs/dbraw/zinc/10/82/40/792108240.db2.gz APSHCKWYUQJCFH-UHFFFAOYSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079199897 794447460 /nfs/dbraw/zinc/44/74/60/794447460.db2.gz UWHYXXJSCBZQJX-KSZLIROESA-N 1 3 333.451 2.236 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](C[C@H](C)CC)CC3)CC1 ZINC000992511248 794459504 /nfs/dbraw/zinc/45/95/04/794459504.db2.gz QMJSUDISYUXLAD-LMNJBCLMSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C[C@H](C)CC)CC3)CC1 ZINC000992511248 794459508 /nfs/dbraw/zinc/45/95/08/794459508.db2.gz QMJSUDISYUXLAD-LMNJBCLMSA-N 1 3 345.531 2.491 20 30 EEEDHO CC(C)(C(=O)NCCNCc1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC001127317114 795358649 /nfs/dbraw/zinc/35/86/49/795358649.db2.gz JYKQRYAWNVWOCC-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001081125858 796669576 /nfs/dbraw/zinc/66/95/76/796669576.db2.gz TWRZXXFNUFBCSI-ZCNNSNEGSA-N 1 3 341.499 2.487 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081126812 796670234 /nfs/dbraw/zinc/67/02/34/796670234.db2.gz GILKDOZQESCHRA-HSALFYBXSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081126812 796670241 /nfs/dbraw/zinc/67/02/41/796670241.db2.gz GILKDOZQESCHRA-HSALFYBXSA-N 1 3 339.483 2.078 20 30 EEEDHO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001171872301 796760522 /nfs/dbraw/zinc/76/05/22/796760522.db2.gz BPYZBTDRXLPFJJ-BOHSKOPMSA-N 1 3 349.519 2.080 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875113 797524759 /nfs/dbraw/zinc/52/47/59/797524759.db2.gz MUPZLXCTAGEBCE-NSHGMRRFSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875113 797524764 /nfs/dbraw/zinc/52/47/64/797524764.db2.gz MUPZLXCTAGEBCE-NSHGMRRFSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543150 798004489 /nfs/dbraw/zinc/00/44/89/798004489.db2.gz HNGGYLSEWAQOQL-ICSRJNTNSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004461808 802133281 /nfs/dbraw/zinc/13/32/81/802133281.db2.gz ARTVAQJDMKLBCT-MOPGFXCFSA-N 1 3 333.520 2.299 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004461808 802133288 /nfs/dbraw/zinc/13/32/88/802133288.db2.gz ARTVAQJDMKLBCT-MOPGFXCFSA-N 1 3 333.520 2.299 20 30 EEEDHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001130711625 811961004 /nfs/dbraw/zinc/96/10/04/811961004.db2.gz YHTCJXOIWWOMEC-SFHVURJKSA-N 1 3 346.450 2.024 20 30 EEEDHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001130711625 811961006 /nfs/dbraw/zinc/96/10/06/811961006.db2.gz YHTCJXOIWWOMEC-SFHVURJKSA-N 1 3 346.450 2.024 20 30 EEEDHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC001444128303 1098664779 /nfs/dbraw/zinc/66/47/79/1098664779.db2.gz HDTSMMMCHHWDND-ICSRJNTNSA-N 1 3 342.487 2.273 20 30 EEEDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978741 240317082 /nfs/dbraw/zinc/31/70/82/240317082.db2.gz KLCGPSDTWJEKAK-MBGYTDRXSA-N 1 3 346.450 2.008 20 30 EEEDHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978741 240317088 /nfs/dbraw/zinc/31/70/88/240317088.db2.gz KLCGPSDTWJEKAK-MBGYTDRXSA-N 1 3 346.450 2.008 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000491808540 533100435 /nfs/dbraw/zinc/10/04/35/533100435.db2.gz WFDGCRNGZWWLKD-OALUTQOASA-N 1 3 348.535 2.238 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000491808540 533100439 /nfs/dbraw/zinc/10/04/39/533100439.db2.gz WFDGCRNGZWWLKD-OALUTQOASA-N 1 3 348.535 2.238 20 30 EEEDHO C[NH+]=C(NCC1CCN(Cc2ccc(OC)cc2)CC1)NC1CC1 ZINC000264060566 464278361 /nfs/dbraw/zinc/27/83/61/464278361.db2.gz PKCGMCFHKYSPNQ-UHFFFAOYSA-N 1 3 330.476 2.235 20 30 EEEDHO CCc1cccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(CC)CC2)c1 ZINC000264074678 464279313 /nfs/dbraw/zinc/27/93/13/464279313.db2.gz FHXFKWZNZOCMDZ-MRXNPFEDSA-N 1 3 331.508 2.249 20 30 EEEDHO N#C[C@@H]1CCC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000274203547 464737220 /nfs/dbraw/zinc/73/72/20/464737220.db2.gz LNIHODBJPBMHBR-QZTJIDSGSA-N 1 3 327.476 2.266 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C(F)(F)F)cs1 ZINC000267430407 464932237 /nfs/dbraw/zinc/93/22/37/464932237.db2.gz MLIKLINISYTDBP-JTQLQIEISA-N 1 3 349.426 2.093 20 30 EEEDHO CN(C)CCN(C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000598918560 469048525 /nfs/dbraw/zinc/04/85/25/469048525.db2.gz MLFAXUUBVLRTSP-UHFFFAOYSA-N 1 3 343.519 2.000 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660705919 471453509 /nfs/dbraw/zinc/45/35/09/471453509.db2.gz XSJNAOZHJVHTED-KRWDZBQOSA-N 1 3 334.508 2.058 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660705919 471453512 /nfs/dbraw/zinc/45/35/12/471453512.db2.gz XSJNAOZHJVHTED-KRWDZBQOSA-N 1 3 334.508 2.058 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168021207 782134236 /nfs/dbraw/zinc/13/42/36/782134236.db2.gz 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C#CCCN1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750363 681412985 /nfs/dbraw/zinc/41/29/85/681412985.db2.gz PTWWRCDXTZDFBN-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CCC2)CC1 ZINC001024813304 681466411 /nfs/dbraw/zinc/46/64/11/681466411.db2.gz YVNKHSSJCMVXJJ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)CC1 ZINC001024813304 681466413 /nfs/dbraw/zinc/46/64/13/681466413.db2.gz YVNKHSSJCMVXJJ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC000982618553 681806422 /nfs/dbraw/zinc/80/64/22/681806422.db2.gz XGHDUGTYXIBOMA-SESVDKBCSA-N 1 3 345.531 2.445 20 30 EEEDHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988956999 691323855 /nfs/dbraw/zinc/32/38/55/691323855.db2.gz CUJCRKBMHPDQIE-MAUKXSAKSA-N 1 3 340.471 2.122 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001105427050 1186938045 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EEEDHO C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241143 1195991786 /nfs/dbraw/zinc/99/17/86/1195991786.db2.gz PBYFHNQHPROMQQ-IEBWSBKVSA-N 1 3 349.519 2.177 20 30 EEEDHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001134762533 1199798038 /nfs/dbraw/zinc/79/80/38/1199798038.db2.gz AZDJLKCPDYQYAA-INIZCTEOSA-N 1 3 334.489 2.088 20 30 EEEDHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCc1ccc(C#N)s1 ZINC001134762533 1199798045 /nfs/dbraw/zinc/79/80/45/1199798045.db2.gz AZDJLKCPDYQYAA-INIZCTEOSA-N 1 3 334.489 2.088 20 30 EEEDHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001132737787 1199965544 /nfs/dbraw/zinc/96/55/44/1199965544.db2.gz QBIAYKSUNFMFTC-INIZCTEOSA-N 1 3 346.450 2.025 20 30 EEEDHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001132737787 1199965546 /nfs/dbraw/zinc/96/55/46/1199965546.db2.gz QBIAYKSUNFMFTC-INIZCTEOSA-N 1 3 346.450 2.025 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887757 1200154379 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C#CCN1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040727444 1231349426 /nfs/dbraw/zinc/34/94/26/1231349426.db2.gz RGRWWLJDPMFSFX-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041769469 1231684840 /nfs/dbraw/zinc/68/48/40/1231684840.db2.gz PWFRSSYVUXJWQJ-FQEVSTJZSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@]2(CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001041776470 1231688804 /nfs/dbraw/zinc/68/88/04/1231688804.db2.gz BUBURGLUIANTHN-NRFANRHFSA-N 1 3 343.515 2.056 20 30 EEEDHO C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270772 1231995185 /nfs/dbraw/zinc/99/51/85/1231995185.db2.gz SECOOCYZJPVUSX-HKUYNNGSSA-N 1 3 327.472 2.471 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001045937532 1234190678 /nfs/dbraw/zinc/19/06/78/1234190678.db2.gz FVTFUDXFXLQBPF-ICSRJNTNSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937532 1234190680 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339.483 2.450 20 30 EEEDHO C=CCN1CCc2c(CNC(=O)C34CCC[NH+]3CCC4)cccc2C1 ZINC001051292081 1245489146 /nfs/dbraw/zinc/48/91/46/1245489146.db2.gz KRYBLMGJHUAHBP-UHFFFAOYSA-N 1 3 339.483 2.475 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141592 1247505494 /nfs/dbraw/zinc/50/54/94/1247505494.db2.gz MPANBHZNFYJVEW-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054141592 1247505502 /nfs/dbraw/zinc/50/55/02/1247505502.db2.gz MPANBHZNFYJVEW-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001074878450 1257186580 /nfs/dbraw/zinc/18/65/80/1257186580.db2.gz WCXPZEQQWIZZSY-KEYYUXOJSA-N 1 3 346.500 2.041 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098960012 1257876272 /nfs/dbraw/zinc/87/62/72/1257876272.db2.gz QBVMSNAFSJRUFR-BJLQDIEVSA-N 1 3 331.504 2.408 20 30 EEEDHO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098960012 1257876285 /nfs/dbraw/zinc/87/62/85/1257876285.db2.gz QBVMSNAFSJRUFR-BJLQDIEVSA-N 1 3 331.504 2.408 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099301543 1258070910 /nfs/dbraw/zinc/07/09/10/1258070910.db2.gz WMDHGLMGRUVHEA-MGPQQGTHSA-N 1 3 335.414 2.128 20 30 EEEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723341 1284776694 /nfs/dbraw/zinc/77/66/94/1284776694.db2.gz GJJZVCYUTAPHRG-QZTJIDSGSA-N 1 3 339.524 2.016 20 30 EEEDHO C=CCCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219471 1295940722 /nfs/dbraw/zinc/94/07/22/1295940722.db2.gz UOWKSNZILMJDDR-QZTJIDSGSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219471 1295940729 /nfs/dbraw/zinc/94/07/29/1295940729.db2.gz UOWKSNZILMJDDR-QZTJIDSGSA-N 1 3 337.508 2.033 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001099173445 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C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)CC1 ZINC001072094525 1295234551 /nfs/dbraw/zinc/23/45/51/1295234551.db2.gz AMEXLAZAUXMZIF-XLIONFOSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)CC1 ZINC001072094525 1295234555 /nfs/dbraw/zinc/23/45/55/1295234555.db2.gz AMEXLAZAUXMZIF-XLIONFOSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC(C)C)C2)CC1 ZINC001072095702 1295237874 /nfs/dbraw/zinc/23/78/74/1295237874.db2.gz MXGQQJYSDQLOKS-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)CC1 ZINC001072095702 1295237877 /nfs/dbraw/zinc/23/78/77/1295237877.db2.gz MXGQQJYSDQLOKS-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001218100788 1297570488 /nfs/dbraw/zinc/57/04/88/1297570488.db2.gz BYXGVBWKMHUZGM-GBESFXJTSA-N 1 3 349.519 2.127 20 30 EEEDHO C=CCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218100788 1297570501 /nfs/dbraw/zinc/57/05/01/1297570501.db2.gz BYXGVBWKMHUZGM-GBESFXJTSA-N 1 3 349.519 2.127 20 30 EEEDHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102473738 1301118130 /nfs/dbraw/zinc/11/81/30/1301118130.db2.gz NCWQWBOAUCNETB-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001102473738 1301118133 /nfs/dbraw/zinc/11/81/33/1301118133.db2.gz NCWQWBOAUCNETB-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C=CCOCCN1CCC(NC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001228457444 1302270419 /nfs/dbraw/zinc/27/04/19/1302270419.db2.gz QVJILMBWXCOGRC-UHFFFAOYSA-N 1 3 337.508 2.034 20 30 EEEDHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC001159917491 1320021198 /nfs/dbraw/zinc/02/11/98/1320021198.db2.gz XOGROKBJKKOMSL-GOSISDBHSA-N 1 3 347.890 2.128 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160869688 1320298413 /nfs/dbraw/zinc/29/84/13/1320298413.db2.gz RKQKIKPIIUIDMD-OALUTQOASA-N 1 3 340.471 2.171 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160869688 1320298417 /nfs/dbraw/zinc/29/84/17/1320298417.db2.gz RKQKIKPIIUIDMD-OALUTQOASA-N 1 3 340.471 2.171 20 30 EEEDHO C#CCN1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161930635 1320680661 /nfs/dbraw/zinc/68/06/61/1320680661.db2.gz FJQFACXQAWJMCU-UHFFFAOYSA-N 1 3 325.456 2.133 20 30 EEEDHO CN(C)/C=N/c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1C#N ZINC001163328494 1321098973 /nfs/dbraw/zinc/09/89/73/1321098973.db2.gz QEGBEACYRJSRFF-LNVYBDQBSA-N 1 3 327.432 2.103 20 30 EEEDHO C#CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203773597 1321958429 /nfs/dbraw/zinc/95/84/29/1321958429.db2.gz VZWNLUNNOIQEET-MOPGFXCFSA-N 1 3 339.483 2.402 20 30 EEEDHO C=C(Br)C[NH2+]CC1CCN(C(=O)CN(C)CCC)CC1 ZINC001206890588 1323674176 /nfs/dbraw/zinc/67/41/76/1323674176.db2.gz YTXHOBBBRJACOW-UHFFFAOYSA-N 1 3 346.313 2.065 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC001209324726 1324902682 /nfs/dbraw/zinc/90/26/82/1324902682.db2.gz UJMCQCJCFCLKHH-AWEZNQCLSA-N 1 3 334.489 2.042 20 30 EEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001314492421 1331825649 /nfs/dbraw/zinc/82/56/49/1331825649.db2.gz PYBHTOZNTYJTMK-MOPGFXCFSA-N 1 3 331.504 2.195 20 30 EEEDHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001390152021 1388464241 /nfs/dbraw/zinc/46/42/41/1388464241.db2.gz AYESTQQQXJDIAT-HNNXBMFYSA-N 1 3 348.516 2.432 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)N(C)C ZINC001379049304 1380427320 /nfs/dbraw/zinc/42/73/20/1380427320.db2.gz QZRBNDKZZBBQHC-RTBURBONSA-N 1 3 344.503 2.375 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001382306849 1382060564 /nfs/dbraw/zinc/06/05/64/1382060564.db2.gz COBFCSRNZMWSFP-LSDHHAIUSA-N 1 3 348.516 2.431 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@@H]1C ZINC001382306849 1382060572 /nfs/dbraw/zinc/06/05/72/1382060572.db2.gz COBFCSRNZMWSFP-LSDHHAIUSA-N 1 3 348.516 2.431 20 30 EEEDHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391885767 1389686325 /nfs/dbraw/zinc/68/63/25/1389686325.db2.gz HEUTVFVDDZIFNB-QFBILLFUSA-N 1 3 342.487 2.273 20 30 EEEDHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1)N(C)C ZINC001397612794 1391370442 /nfs/dbraw/zinc/37/04/42/1391370442.db2.gz WAWYGFXOTLUNDU-LESCRADOSA-N 1 3 346.450 2.022 20 30 EEEDHO C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001754238902 1406875401 /nfs/dbraw/zinc/87/54/01/1406875401.db2.gz JNHSPKVPYGCOJP-RYRKJORJSA-N 1 3 345.462 2.002 20 30 EEEDHO C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001754238902 1406875406 /nfs/dbraw/zinc/87/54/06/1406875406.db2.gz JNHSPKVPYGCOJP-RYRKJORJSA-N 1 3 345.462 2.002 20 30 EEEDHO C#CC[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC001574517330 1403522013 /nfs/dbraw/zinc/52/20/13/1403522013.db2.gz MHOAHHHQCXPLMO-UYAOXDASSA-N 1 3 325.456 2.085 20 30 EEEDHO N#Cc1cnc2ccccc2c1N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC001580081584 1403823300 /nfs/dbraw/zinc/82/33/00/1403823300.db2.gz NLAWFPQXVBAMMM-INIZCTEOSA-N 1 3 335.455 2.228 20 30 EEEDHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CCNCc1ccccc1C#N ZINC001104621579 762061543 /nfs/dbraw/zinc/06/15/43/762061543.db2.gz HFDBFFMGGUPFOE-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105058839 768969856 /nfs/dbraw/zinc/96/98/56/768969856.db2.gz AGDYWCKUMWWLQM-YLJYHZDGSA-N 1 3 341.499 2.459 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710255 770922288 /nfs/dbraw/zinc/92/22/88/770922288.db2.gz KDJSKBRYSCCWHT-KSZLIROESA-N 1 3 331.504 2.101 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710255 770922297 /nfs/dbraw/zinc/92/22/97/770922297.db2.gz KDJSKBRYSCCWHT-KSZLIROESA-N 1 3 331.504 2.101 20 30 EEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089820976 776964516 /nfs/dbraw/zinc/96/45/16/776964516.db2.gz PZJXTMKTJNOFRJ-WNHJNPCNSA-N 1 3 331.504 2.216 20 30 EEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089820976 776964523 /nfs/dbraw/zinc/96/45/23/776964523.db2.gz PZJXTMKTJNOFRJ-WNHJNPCNSA-N 1 3 331.504 2.216 20 30 EEEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160039 779199406 /nfs/dbraw/zinc/19/94/06/779199406.db2.gz PODXDBSBDYUJRP-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160039 779199408 /nfs/dbraw/zinc/19/94/08/779199408.db2.gz PODXDBSBDYUJRP-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260530 784216572 /nfs/dbraw/zinc/21/65/72/784216572.db2.gz YMUPDXAYFIPXQZ-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260530 784216578 /nfs/dbraw/zinc/21/65/78/784216578.db2.gz YMUPDXAYFIPXQZ-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001136032153 785014804 /nfs/dbraw/zinc/01/48/04/785014804.db2.gz WRMHNYUMACRWNQ-ZIAGYGMSSA-N 1 3 339.443 2.205 20 30 EEEDHO C=CCN1CC2(C1)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC001035820369 785174825 /nfs/dbraw/zinc/17/48/25/785174825.db2.gz UAUQPQZLFFLAEI-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C=CCOC(=O)[C@@H](N)CCCCNc1cc(OC(F)F)cc[nH+]1 ZINC001171074604 788470487 /nfs/dbraw/zinc/47/04/87/788470487.db2.gz DAPMNROCWWDVGU-LBPRGKRZSA-N 1 3 329.347 2.322 20 30 EEEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997332172 789605833 /nfs/dbraw/zinc/60/58/33/789605833.db2.gz FDSHGCHHYBOGPP-MJGOQNOKSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000997386021 789877623 /nfs/dbraw/zinc/87/76/23/789877623.db2.gz GZZDOGIKUFPWOL-IEBWSBKVSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997386021 789877627 /nfs/dbraw/zinc/87/76/27/789877627.db2.gz GZZDOGIKUFPWOL-IEBWSBKVSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000998164770 792116882 /nfs/dbraw/zinc/11/68/82/792116882.db2.gz JKATUSPDYWTLBG-IBGZPJMESA-N 1 3 333.520 2.443 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992186612 793126456 /nfs/dbraw/zinc/12/64/56/793126456.db2.gz GOWYRWMVPDAKLZ-FFZOFVMBSA-N 1 3 349.494 2.335 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992186612 793126460 /nfs/dbraw/zinc/12/64/60/793126460.db2.gz GOWYRWMVPDAKLZ-FFZOFVMBSA-N 1 3 349.494 2.335 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC000992510059 794454337 /nfs/dbraw/zinc/45/43/37/794454337.db2.gz OJENNPQOPALIDL-UYAOXDASSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC000992510059 794454345 /nfs/dbraw/zinc/45/43/45/794454345.db2.gz OJENNPQOPALIDL-UYAOXDASSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902895 796441408 /nfs/dbraw/zinc/44/14/08/796441408.db2.gz RQHGGKKVIRAGSO-AZUAARDMSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902895 796441411 /nfs/dbraw/zinc/44/14/11/796441411.db2.gz RQHGGKKVIRAGSO-AZUAARDMSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)CC1 ZINC001032800624 796448605 /nfs/dbraw/zinc/44/86/05/796448605.db2.gz QBWUIXNXCMUEIL-PMACEKPBSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCC2)CC1 ZINC001032800624 796448612 /nfs/dbraw/zinc/44/86/12/796448612.db2.gz QBWUIXNXCMUEIL-PMACEKPBSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001080997641 796548588 /nfs/dbraw/zinc/54/85/88/796548588.db2.gz HVILARBFPJBRBJ-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C)CC1 ZINC001080997641 796548591 /nfs/dbraw/zinc/54/85/91/796548591.db2.gz HVILARBFPJBRBJ-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818991 797023704 /nfs/dbraw/zinc/02/37/04/797023704.db2.gz HCGGSZYROPJIKB-ROUUACIJSA-N 1 3 325.456 2.012 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819208 797023920 /nfs/dbraw/zinc/02/39/20/797023920.db2.gz JZJPZEKJFABBDB-ZWKOTPCHSA-N 1 3 331.504 2.005 20 30 EEEDHO CC#CC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001002157892 797641149 /nfs/dbraw/zinc/64/11/49/797641149.db2.gz NBPWXWDZNQDBKC-UHFFFAOYSA-N 1 3 327.472 2.213 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001082743047 797675544 /nfs/dbraw/zinc/67/55/44/797675544.db2.gz DTLLOEPNKZLFFH-RKVPGOIHSA-N 1 3 325.472 2.212 20 30 EEEDHO C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175315296 798073144 /nfs/dbraw/zinc/07/31/44/798073144.db2.gz DKEKNXZFYUUXCR-KBPBESRZSA-N 1 3 348.329 2.500 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089383409 798283502 /nfs/dbraw/zinc/28/35/02/798283502.db2.gz YGEIACDHXHOSEF-QZTJIDSGSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089383409 798283507 /nfs/dbraw/zinc/28/35/07/798283507.db2.gz YGEIACDHXHOSEF-QZTJIDSGSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2cc(C)sc2C)CC1 ZINC001176930840 798634121 /nfs/dbraw/zinc/63/41/21/798634121.db2.gz RGOHNUODKXDFAY-UHFFFAOYSA-N 1 3 347.528 2.306 20 30 EEEDHO C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@@H]1CCCCN1C ZINC001179337808 799886569 /nfs/dbraw/zinc/88/65/69/799886569.db2.gz YILVNDKXXIMQAM-IHPCNDPISA-N 1 3 339.483 2.101 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543364 802338648 /nfs/dbraw/zinc/33/86/48/802338648.db2.gz OVXGJUJMGBKAHO-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543364 802338658 /nfs/dbraw/zinc/33/86/58/802338658.db2.gz OVXGJUJMGBKAHO-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365175 802832654 /nfs/dbraw/zinc/83/26/54/802832654.db2.gz HNACMYFOXFNTIT-VGWMRTNUSA-N 1 3 325.884 2.098 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365175 802832657 /nfs/dbraw/zinc/83/26/57/802832657.db2.gz HNACMYFOXFNTIT-VGWMRTNUSA-N 1 3 325.884 2.098 20 30 EEEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001108830036 804553234 /nfs/dbraw/zinc/55/32/34/804553234.db2.gz CRCNBKZDWIFFMB-IHPCNDPISA-N 1 3 339.483 2.354 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001129410300 810828593 /nfs/dbraw/zinc/82/85/93/810828593.db2.gz IVTIVQGFZGEZFG-SFHVURJKSA-N 1 3 328.460 2.027 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001129410300 810828601 /nfs/dbraw/zinc/82/86/01/810828601.db2.gz IVTIVQGFZGEZFG-SFHVURJKSA-N 1 3 328.460 2.027 20 30 EEEDHO C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001506872350 1114942614 /nfs/dbraw/zinc/94/26/14/1114942614.db2.gz PDZFNKMHKCLENP-QZTJIDSGSA-N 1 3 349.519 2.034 20 30 EEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330840 279303064 /nfs/dbraw/zinc/30/30/64/279303064.db2.gz BUBBLRNRIZQAEY-GOSISDBHSA-N 1 3 328.460 2.046 20 30 EEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330840 279303066 /nfs/dbraw/zinc/30/30/66/279303066.db2.gz BUBBLRNRIZQAEY-GOSISDBHSA-N 1 3 328.460 2.046 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000291605859 464156540 /nfs/dbraw/zinc/15/65/40/464156540.db2.gz JCCMVKZLIXSBAV-AZUAARDMSA-N 1 3 348.535 2.422 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C(C)C ZINC000291605859 464156545 /nfs/dbraw/zinc/15/65/45/464156545.db2.gz JCCMVKZLIXSBAV-AZUAARDMSA-N 1 3 348.535 2.422 20 30 EEEDHO CCCCNC(=[NH2+])NCc1ccccc1CN1CCN(CC)CC1 ZINC000264117714 464285548 /nfs/dbraw/zinc/28/55/48/464285548.db2.gz TWOMBWSJYJAXTC-UHFFFAOYSA-N 1 3 331.508 2.029 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000264316293 464295481 /nfs/dbraw/zinc/29/54/81/464295481.db2.gz WDMRQRWFQWGZAH-SJORKVTESA-N 1 3 347.507 2.114 20 30 EEEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429763 465527811 /nfs/dbraw/zinc/52/78/11/465527811.db2.gz BXARFBQXSRGOLQ-UFYCRDLUSA-N 1 3 339.483 2.227 20 30 EEEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000352429763 465527816 /nfs/dbraw/zinc/52/78/16/465527816.db2.gz BXARFBQXSRGOLQ-UFYCRDLUSA-N 1 3 339.483 2.227 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000417059871 466767756 /nfs/dbraw/zinc/76/77/56/466767756.db2.gz IVDBXQIXXNNNSH-AEFFLSMTSA-N 1 3 336.524 2.454 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000376696849 466925520 /nfs/dbraw/zinc/92/55/20/466925520.db2.gz QSXXDFDYBHSRHK-UHFFFAOYSA-N 1 3 349.523 2.174 20 30 EEEDHO N#C[C@@H]1CC[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693900 468170006 /nfs/dbraw/zinc/17/00/06/468170006.db2.gz MLVSAZSSEVMPSL-LZQZEXGQSA-N 1 3 340.471 2.166 20 30 EEEDHO N#C[C@@H]1CC[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693900 468170010 /nfs/dbraw/zinc/17/00/10/468170010.db2.gz MLVSAZSSEVMPSL-LZQZEXGQSA-N 1 3 340.471 2.166 20 30 EEEDHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000563191985 469193626 /nfs/dbraw/zinc/19/36/26/469193626.db2.gz DMCGGXJPZVLJBP-HNAYVOBHSA-N 1 3 338.455 2.429 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968437 469593613 /nfs/dbraw/zinc/59/36/13/469593613.db2.gz ZIJMLLCKMBYIGQ-IRXDYDNUSA-N 1 3 334.508 2.126 20 30 EEEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000644531771 470975368 /nfs/dbraw/zinc/97/53/68/470975368.db2.gz IQQKJPNTEOHUTG-VQIMIIECSA-N 1 3 330.472 2.229 20 30 EEEDHO C=CCc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000644531771 470975371 /nfs/dbraw/zinc/97/53/71/470975371.db2.gz IQQKJPNTEOHUTG-VQIMIIECSA-N 1 3 330.472 2.229 20 30 EEEDHO C=CCc1ccccc1OC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000644531771 470975375 /nfs/dbraw/zinc/97/53/75/470975375.db2.gz IQQKJPNTEOHUTG-VQIMIIECSA-N 1 3 330.472 2.229 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000103112972 526916289 /nfs/dbraw/zinc/91/62/89/526916289.db2.gz RVOXGUQGPDRCCV-UHFFFAOYSA-N 1 3 341.499 2.230 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795130 676800047 /nfs/dbraw/zinc/80/00/47/676800047.db2.gz PHPQTGGTUWFVCA-RBUKOAKNSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795130 676800048 /nfs/dbraw/zinc/80/00/48/676800048.db2.gz PHPQTGGTUWFVCA-RBUKOAKNSA-N 1 3 340.471 2.075 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CC(=C)Cl)CC2)CC1 ZINC001026610610 684788427 /nfs/dbraw/zinc/78/84/27/684788427.db2.gz OJANEOGANIQCOV-UHFFFAOYSA-N 1 3 337.895 2.101 20 30 EEEDHO C[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262446945 686113242 /nfs/dbraw/zinc/11/32/42/686113242.db2.gz QOYRUNILCZRHCK-XHSDSOJGSA-N 1 3 336.524 2.229 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244319 692467024 /nfs/dbraw/zinc/46/70/24/692467024.db2.gz ITVCCYRGXNHGSG-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040244319 692467028 /nfs/dbraw/zinc/46/70/28/692467028.db2.gz ITVCCYRGXNHGSG-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CN(C)C(C)C)CCO2 ZINC001105487195 1188103879 /nfs/dbraw/zinc/10/38/79/1188103879.db2.gz UHAIEIJTTMWSCY-UHFFFAOYSA-N 1 3 337.508 2.033 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC=C)C2)CC1 ZINC001132517649 1199800776 /nfs/dbraw/zinc/80/07/76/1199800776.db2.gz GFAOSCIKYVGTMP-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC=C)C2)CC1 ZINC001132517649 1199800778 /nfs/dbraw/zinc/80/07/78/1199800778.db2.gz GFAOSCIKYVGTMP-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086700603 1200459232 /nfs/dbraw/zinc/45/92/32/1200459232.db2.gz APWQIUUCXCAEDZ-XUWVNRHRSA-N 1 3 327.900 2.344 20 30 EEEDHO C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086700603 1200459238 /nfs/dbraw/zinc/45/92/38/1200459238.db2.gz APWQIUUCXCAEDZ-XUWVNRHRSA-N 1 3 327.900 2.344 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133338431 1200762677 /nfs/dbraw/zinc/76/26/77/1200762677.db2.gz VLXYWGQXNJFTLC-YLJYHZDGSA-N 1 3 341.499 2.459 20 30 EEEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001133410564 1200880084 /nfs/dbraw/zinc/88/00/84/1200880084.db2.gz NMLZDMAZWDCBIX-KRWDZBQOSA-N 1 3 347.890 2.233 20 30 EEEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001133410564 1200880092 /nfs/dbraw/zinc/88/00/92/1200880092.db2.gz NMLZDMAZWDCBIX-KRWDZBQOSA-N 1 3 347.890 2.233 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)[C@@H](C)C2)CC1 ZINC000948069988 1208853951 /nfs/dbraw/zinc/85/39/51/1208853951.db2.gz LYWHKQXFUUDGCR-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)CC1 ZINC000948069988 1208853953 /nfs/dbraw/zinc/85/39/53/1208853953.db2.gz LYWHKQXFUUDGCR-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Br ZINC000303771056 1213903441 /nfs/dbraw/zinc/90/34/41/1213903441.db2.gz CHQIOFVLPWEOBM-ZDUSSCGKSA-N 1 3 339.281 2.338 20 30 EEEDHO CC(C)N(CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C(C)C ZINC000303691791 1213891298 /nfs/dbraw/zinc/89/12/98/1213891298.db2.gz AUZZCIMFOFBSSM-UHFFFAOYSA-N 1 3 349.498 2.381 20 30 EEEDHO C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961154978 1217061487 /nfs/dbraw/zinc/06/14/87/1217061487.db2.gz ILBJIPJUWXNSEU-RTBURBONSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961154978 1217061490 /nfs/dbraw/zinc/06/14/90/1217061490.db2.gz ILBJIPJUWXNSEU-RTBURBONSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314932 1217507234 /nfs/dbraw/zinc/50/72/34/1217507234.db2.gz QIFHEYDBBVDMOU-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314932 1217507236 /nfs/dbraw/zinc/50/72/36/1217507236.db2.gz QIFHEYDBBVDMOU-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000965064960 1218869452 /nfs/dbraw/zinc/86/94/52/1218869452.db2.gz RZJRSKYCXPMLOU-DPGVGJJJSA-N 1 3 325.884 2.240 20 30 EEEDHO C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001037985319 1220890617 /nfs/dbraw/zinc/89/06/17/1220890617.db2.gz VBXZVXQTIHMGCZ-HKUYNNGSSA-N 1 3 327.472 2.212 20 30 EEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968887680 1221646928 /nfs/dbraw/zinc/64/69/28/1221646928.db2.gz JSQDRQPNIOILJI-RTBURBONSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000968887680 1221646931 /nfs/dbraw/zinc/64/69/31/1221646931.db2.gz JSQDRQPNIOILJI-RTBURBONSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001016336655 1226360454 /nfs/dbraw/zinc/36/04/54/1226360454.db2.gz MTMCMXLGGORDMP-IBGZPJMESA-N 1 3 329.488 2.023 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001016336655 1226360461 /nfs/dbraw/zinc/36/04/61/1226360461.db2.gz MTMCMXLGGORDMP-IBGZPJMESA-N 1 3 329.488 2.023 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182170 1230409756 /nfs/dbraw/zinc/40/97/56/1230409756.db2.gz KHGPJPLTWBEDLC-VQTJNVASSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182170 1230409758 /nfs/dbraw/zinc/40/97/58/1230409758.db2.gz KHGPJPLTWBEDLC-VQTJNVASSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182914 1230409993 /nfs/dbraw/zinc/40/99/93/1230409993.db2.gz UMZFZDXWTACCCJ-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182914 1230409995 /nfs/dbraw/zinc/40/99/95/1230409995.db2.gz UMZFZDXWTACCCJ-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](C)CC)CC1 ZINC001040014278 1230964487 /nfs/dbraw/zinc/96/44/87/1230964487.db2.gz IVMJQMUTNOLRFN-RLLQIKCJSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C[C@H](C)CC)CC1 ZINC001040014278 1230964490 /nfs/dbraw/zinc/96/44/90/1230964490.db2.gz IVMJQMUTNOLRFN-RLLQIKCJSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432790 1231544530 /nfs/dbraw/zinc/54/45/30/1231544530.db2.gz SRAJXUGOTARQJL-AZUAARDMSA-N 1 3 331.504 2.055 20 30 EEEDHO 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340.471 2.027 20 30 EEEDHO [NH2+]=C(NCCN1CCCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000104168415 237083965 /nfs/dbraw/zinc/08/39/65/237083965.db2.gz JBMVNSMGTCLOPJ-UHFFFAOYSA-N 1 3 332.448 2.451 20 30 EEEDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000550157214 318447792 /nfs/dbraw/zinc/44/77/92/318447792.db2.gz VISIEXLJAKFQPY-HOTGVXAUSA-N 1 3 340.475 2.449 20 30 EEEDHO C=C(C)CNC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000264092839 464282205 /nfs/dbraw/zinc/28/22/05/464282205.db2.gz LMQUVBBIVMOYIZ-UHFFFAOYSA-N 1 3 329.492 2.069 20 30 EEEDHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000281791976 464587354 /nfs/dbraw/zinc/58/73/54/464587354.db2.gz UPLCCGCJFWDXAR-ROUUACIJSA-N 1 3 329.444 2.034 20 30 EEEDHO C=CCN1CCC(NC(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000417532204 466877826 /nfs/dbraw/zinc/87/78/26/466877826.db2.gz SOYRCTNHQYSZES-UHFFFAOYSA-N 1 3 330.476 2.197 20 30 EEEDHO N#CCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000424143153 466990050 /nfs/dbraw/zinc/99/00/50/466990050.db2.gz WBZODFQBOBIRNW-SFHVURJKSA-N 1 3 328.460 2.310 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)CNC1CC[NH+](C2CC2)CC1 ZINC000514856115 467958639 /nfs/dbraw/zinc/95/86/39/467958639.db2.gz RKDPAVDOWXJGNX-IBGZPJMESA-N 1 3 330.472 2.371 20 30 EEEDHO N#C[C@@H]1CC[C@@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693898 468169974 /nfs/dbraw/zinc/16/99/74/468169974.db2.gz MLVSAZSSEVMPSL-ATZDWAIDSA-N 1 3 340.471 2.166 20 30 EEEDHO N#C[C@@H]1CC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000576693898 468169978 /nfs/dbraw/zinc/16/99/78/468169978.db2.gz MLVSAZSSEVMPSL-ATZDWAIDSA-N 1 3 340.471 2.166 20 30 EEEDHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)N1CCCCC1 ZINC000591760397 468516648 /nfs/dbraw/zinc/51/66/48/468516648.db2.gz AFBOMAZVAIWZMX-HKUYNNGSSA-N 1 3 345.487 2.346 20 30 EEEDHO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)CN1CCCCC1 ZINC000600717527 468631946 /nfs/dbraw/zinc/63/19/46/468631946.db2.gz BNZOHLNCDKSBIO-AEFFLSMTSA-N 1 3 331.460 2.010 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](CC#N)C3)CC2)CC1 ZINC000597904809 468707114 /nfs/dbraw/zinc/70/71/14/468707114.db2.gz ULVLDIYLXDWRHG-QGZVFWFLSA-N 1 3 346.519 2.335 20 30 EEEDHO C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000611559916 469279268 /nfs/dbraw/zinc/27/92/68/469279268.db2.gz MVRMGQBUKNKKOC-DNVCBOLYSA-N 1 3 340.471 2.374 20 30 EEEDHO C[C@@H](CC1(C#N)CCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000602554404 469359049 /nfs/dbraw/zinc/35/90/49/469359049.db2.gz YKNHEMCLEVVUKC-IRXDYDNUSA-N 1 3 335.492 2.176 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCC)CC1 ZINC000969156365 674647837 /nfs/dbraw/zinc/64/78/37/674647837.db2.gz RBYPKRJYIBYIFO-LJQANCHMSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCC)CC1 ZINC000969156365 674647841 /nfs/dbraw/zinc/64/78/41/674647841.db2.gz RBYPKRJYIBYIFO-LJQANCHMSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](F)CC)CC1 ZINC001021469822 676118756 /nfs/dbraw/zinc/11/87/56/676118756.db2.gz OJWDKUHWOOUHIZ-MVCQKVDPSA-N 1 3 349.494 2.191 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](F)CC)CC1 ZINC001021469822 676118757 /nfs/dbraw/zinc/11/87/57/676118757.db2.gz OJWDKUHWOOUHIZ-MVCQKVDPSA-N 1 3 349.494 2.191 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000970922335 676244444 /nfs/dbraw/zinc/24/44/44/676244444.db2.gz WBOBMJRPXGSTPV-INIZCTEOSA-N 1 3 345.531 2.204 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414666 679298001 /nfs/dbraw/zinc/29/80/01/679298001.db2.gz XXEHUCJZEHZBMI-MJGOQNOKSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414666 679298002 /nfs/dbraw/zinc/29/80/02/679298002.db2.gz XXEHUCJZEHZBMI-MJGOQNOKSA-N 1 3 331.504 2.245 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262829449 679555805 /nfs/dbraw/zinc/55/58/05/679555805.db2.gz RDLNOGVOVZKFSS-SLEUVZQESA-N 1 3 340.393 2.348 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001026900896 685271658 /nfs/dbraw/zinc/27/16/58/685271658.db2.gz GCBLLTXSTZTAFB-MOPGFXCFSA-N 1 3 342.487 2.083 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001024901628 681561976 /nfs/dbraw/zinc/56/19/76/681561976.db2.gz YNQIGGAZMCRPLS-RHSMWYFYSA-N 1 3 346.500 2.185 20 30 EEEDHO CC#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542067 681865429 /nfs/dbraw/zinc/86/54/29/681865429.db2.gz KWCGINFOYODDOH-QZTJIDSGSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542067 681865436 /nfs/dbraw/zinc/86/54/36/681865436.db2.gz KWCGINFOYODDOH-QZTJIDSGSA-N 1 3 331.504 2.102 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992706560 683286193 /nfs/dbraw/zinc/28/61/93/683286193.db2.gz FLMKYDWOCQXESK-HRCADAONSA-N 1 3 339.911 2.440 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000985328746 686336767 /nfs/dbraw/zinc/33/67/67/686336767.db2.gz XQQOKEKXXXOWEB-IBGZPJMESA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000985328746 686336776 /nfs/dbraw/zinc/33/67/76/686336776.db2.gz XQQOKEKXXXOWEB-IBGZPJMESA-N 1 3 340.471 2.075 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028770 1193333300 /nfs/dbraw/zinc/33/33/00/1193333300.db2.gz MSSWCPFFPASDEU-QFBILLFUSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028770 1193333302 /nfs/dbraw/zinc/33/33/02/1193333302.db2.gz MSSWCPFFPASDEU-QFBILLFUSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105429192 1187056376 /nfs/dbraw/zinc/05/63/76/1187056376.db2.gz QJRIQNDRGYUGSN-SBHAEUEKSA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]C[C@H](C)CC)CC2)CC1 ZINC001168308501 1188279859 /nfs/dbraw/zinc/27/98/59/1188279859.db2.gz VUDIHXRMHVRJSB-QGZVFWFLSA-N 1 3 333.520 2.254 20 30 EEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398954 1196189786 /nfs/dbraw/zinc/18/97/86/1196189786.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398954 1196189788 /nfs/dbraw/zinc/18/97/88/1196189788.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398954 1196189790 /nfs/dbraw/zinc/18/97/90/1196189790.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398954 1196189792 /nfs/dbraw/zinc/18/97/92/1196189792.db2.gz PRVZYKYONIODRD-APWZRJJASA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC001034538575 1196361207 /nfs/dbraw/zinc/36/12/07/1196361207.db2.gz PXUXJEHNLBNEGV-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001034538575 1196361212 /nfs/dbraw/zinc/36/12/12/1196361212.db2.gz PXUXJEHNLBNEGV-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)CN(C)C1CCC1 ZINC001134607830 1199700589 /nfs/dbraw/zinc/70/05/89/1199700589.db2.gz MFNDXNWYCPUIOI-ZIAGYGMSSA-N 1 3 348.516 2.477 20 30 EEEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133342419 1200767597 /nfs/dbraw/zinc/76/75/97/1200767597.db2.gz PDUHTXLEFFOVCS-SJLPKXTDSA-N 1 3 327.472 2.069 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001133407676 1200874919 /nfs/dbraw/zinc/87/49/19/1200874919.db2.gz LTAPMZWHCPJRQP-QGZVFWFLSA-N 1 3 347.890 2.233 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001133407676 1200874927 /nfs/dbraw/zinc/87/49/27/1200874927.db2.gz LTAPMZWHCPJRQP-QGZVFWFLSA-N 1 3 347.890 2.233 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070697 1208854001 /nfs/dbraw/zinc/85/40/01/1208854001.db2.gz RHDXROGRYHQFOZ-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070697 1208854005 /nfs/dbraw/zinc/85/40/05/1208854005.db2.gz RHDXROGRYHQFOZ-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000948642302 1209269113 /nfs/dbraw/zinc/26/91/13/1209269113.db2.gz FRWZRFYTMTXRAB-LJQANCHMSA-N 1 3 341.499 2.350 20 30 EEEDHO CN1CCN(CCCNC(=[NH2+])NCC2CCC2)[C@@H](c2ccccc2)C1 ZINC000303908973 1213924269 /nfs/dbraw/zinc/92/42/69/1213924269.db2.gz XZOPHDQPPZDCDL-LJQANCHMSA-N 1 3 343.519 2.070 20 30 EEEDHO CCN(CCNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccccc1C ZINC000303907470 1213924384 /nfs/dbraw/zinc/92/43/84/1213924384.db2.gz WVUYRGNQJZZDHE-KRWDZBQOSA-N 1 3 331.508 2.210 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957603063 1215248640 /nfs/dbraw/zinc/24/86/40/1215248640.db2.gz MRUAKDWLZPBGFF-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957625966 1215269173 /nfs/dbraw/zinc/26/91/73/1215269173.db2.gz CUTKMBIEPDHKJH-UHFFFAOYSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188432 1217077426 /nfs/dbraw/zinc/07/74/26/1217077426.db2.gz VLLHKNSTQQCHOQ-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188432 1217077429 /nfs/dbraw/zinc/07/74/29/1217077429.db2.gz VLLHKNSTQQCHOQ-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961410819 1217179332 /nfs/dbraw/zinc/17/93/32/1217179332.db2.gz JJRATWNIPVTAPF-OALUTQOASA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000961410819 1217179335 /nfs/dbraw/zinc/17/93/35/1217179335.db2.gz JJRATWNIPVTAPF-OALUTQOASA-N 1 3 333.520 2.301 20 30 EEEDHO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961416703 1217181826 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C=C(Br)CNCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161899 789574942 /nfs/dbraw/zinc/57/49/42/789574942.db2.gz RDRPXNGXBNZWMP-KGLIPLIRSA-N 1 3 346.313 2.111 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593105 791362070 /nfs/dbraw/zinc/36/20/70/791362070.db2.gz OANCNCJLFZTHQG-HUUCEWRRSA-N 1 3 348.466 2.410 20 30 EEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001099098886 792108562 /nfs/dbraw/zinc/10/85/62/792108562.db2.gz YSFCMBRMCVXYQZ-DLBZAZTESA-N 1 3 339.499 2.296 20 30 EEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001099098886 792108569 /nfs/dbraw/zinc/10/85/69/792108569.db2.gz YSFCMBRMCVXYQZ-DLBZAZTESA-N 1 3 339.499 2.296 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942628 793036066 /nfs/dbraw/zinc/03/60/66/793036066.db2.gz WZGNYAFUWCPBBZ-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666862 796073401 /nfs/dbraw/zinc/07/34/01/796073401.db2.gz XKOPVOGYPZMCLD-RKVPGOIHSA-N 1 3 325.472 2.069 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001080997638 796548380 /nfs/dbraw/zinc/54/83/80/796548380.db2.gz HRMNECHOTAJQSF-VQIMIIECSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2C)CC1 ZINC001080997638 796548383 /nfs/dbraw/zinc/54/83/83/796548383.db2.gz HRMNECHOTAJQSF-VQIMIIECSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819766 797025479 /nfs/dbraw/zinc/02/54/79/797025479.db2.gz RKKILXZFMQMHAN-DLBZAZTESA-N 1 3 349.906 2.101 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176997528 798686653 /nfs/dbraw/zinc/68/66/53/798686653.db2.gz PWRUVJXDBYVTPP-CQSZACIVSA-N 1 3 346.313 2.111 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001131667167 813097519 /nfs/dbraw/zinc/09/75/19/813097519.db2.gz YPUOQDQISKRWGD-YLJYHZDGSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001131667167 813097527 /nfs/dbraw/zinc/09/75/27/813097527.db2.gz YPUOQDQISKRWGD-YLJYHZDGSA-N 1 3 349.519 2.129 20 30 EEEDHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442767269 242109132 /nfs/dbraw/zinc/10/91/32/242109132.db2.gz MJWMXKLUBYWLTP-AEFFLSMTSA-N 1 3 331.460 2.425 20 30 EEEDHO C[C@@H]1CN(CC2CC[NH+](CCCSCC#N)CC2)C[C@H](C)O1 ZINC000080628083 463340081 /nfs/dbraw/zinc/34/00/81/463340081.db2.gz PELHVBQAPLLARY-IYBDPMFKSA-N 1 3 325.522 2.454 20 30 EEEDHO COc1ccc(C#N)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180934107 464423135 /nfs/dbraw/zinc/42/31/35/464423135.db2.gz WFGAGUPFQFHYCL-UHFFFAOYSA-N 1 3 330.476 2.025 20 30 EEEDHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338913491 466477999 /nfs/dbraw/zinc/47/79/99/466477999.db2.gz QWGXLMBVVJGIKU-FUHWJXTLSA-N 1 3 334.508 2.239 20 30 EEEDHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373976 466732341 /nfs/dbraw/zinc/73/23/41/466732341.db2.gz CAJAOBKTXPUZGR-CVEARBPZSA-N 1 3 340.393 2.435 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000417063928 466768592 /nfs/dbraw/zinc/76/85/92/466768592.db2.gz OFIVDTBEQCKVRE-FGTMMUONSA-N 1 3 336.524 2.311 20 30 EEEDHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424153246 466991402 /nfs/dbraw/zinc/99/14/02/466991402.db2.gz JVTVZUNSRIATPI-YJBOKZPZSA-N 1 3 328.460 2.349 20 30 EEEDHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000528399555 467682243 /nfs/dbraw/zinc/68/22/43/467682243.db2.gz WROQSAKYXMMWDL-LMMKCTJWSA-N 1 3 349.519 2.252 20 30 EEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[NH+](C)C ZINC000569640642 468521421 /nfs/dbraw/zinc/52/14/21/468521421.db2.gz TWYFICHLKDOUJP-UHFFFAOYSA-N 1 3 330.476 2.180 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000602530172 469351235 /nfs/dbraw/zinc/35/12/35/469351235.db2.gz DZUWCCITVJGXML-QGZVFWFLSA-N 1 3 348.535 2.234 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@@H](C)F)CC1 ZINC001021469833 676118845 /nfs/dbraw/zinc/11/88/45/676118845.db2.gz OMCUQNMPRQKRQH-BPIHKTFHSA-N 1 3 349.494 2.191 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H](C)F)CC1 ZINC001021469833 676118848 /nfs/dbraw/zinc/11/88/48/676118848.db2.gz OMCUQNMPRQKRQH-BPIHKTFHSA-N 1 3 349.494 2.191 20 30 EEEDHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249893 676266369 /nfs/dbraw/zinc/26/63/69/676266369.db2.gz FNYIMBURIWYHRI-RBUKOAKNSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711619 676369781 /nfs/dbraw/zinc/36/97/81/676369781.db2.gz YYRHQNIYKQQJMH-PMACEKPBSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC001023127729 679135727 /nfs/dbraw/zinc/13/57/27/679135727.db2.gz BGCZHTSYIZYCBS-HDICACEKSA-N 1 3 345.512 2.139 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1)N(C)C ZINC001024162684 679829235 /nfs/dbraw/zinc/82/92/35/679829235.db2.gz XSTGZAUOCBKDLT-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024810819 681462993 /nfs/dbraw/zinc/46/29/93/681462993.db2.gz JZXVKVHQZQZROB-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024810819 681462996 /nfs/dbraw/zinc/46/29/96/681462996.db2.gz JZXVKVHQZQZROB-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598252 685093109 /nfs/dbraw/zinc/09/31/09/685093109.db2.gz BEAFTZZGBREBBN-IEBWSBKVSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598252 685093113 /nfs/dbraw/zinc/09/31/13/685093113.db2.gz BEAFTZZGBREBBN-IEBWSBKVSA-N 1 3 345.531 2.491 20 30 EEEDHO CCN(CCCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)s1 ZINC001752210732 1179527077 /nfs/dbraw/zinc/52/70/77/1179527077.db2.gz XYWVTSCFDWOFJZ-UHFFFAOYSA-N 1 3 348.516 2.290 20 30 EEEDHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338818 1185436139 /nfs/dbraw/zinc/43/61/39/1185436139.db2.gz KMFIRHLNVCHQPU-AWEZNQCLSA-N 1 3 348.516 2.288 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001105427049 1186938027 /nfs/dbraw/zinc/93/80/27/1186938027.db2.gz BHOVFBXKENJSRP-IRFCIJBXSA-N 1 3 341.499 2.319 20 30 EEEDHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001034959652 1196921187 /nfs/dbraw/zinc/92/11/87/1196921187.db2.gz FKOUXRFUAWIJGS-RHSMWYFYSA-N 1 3 346.500 2.041 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001034973836 1196931122 /nfs/dbraw/zinc/93/11/22/1196931122.db2.gz DQRLPFQQYSYQKC-SJLPKXTDSA-N 1 3 346.450 2.118 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170749977 1199559957 /nfs/dbraw/zinc/55/99/57/1199559957.db2.gz FEOXTDRKOQQYLM-ZWKOTPCHSA-N 1 3 339.524 2.326 20 30 EEEDHO C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)N(C)C ZINC001133399879 1200842609 /nfs/dbraw/zinc/84/26/09/1200842609.db2.gz XUCCNSDQZDHNDO-QGZVFWFLSA-N 1 3 335.879 2.232 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCOCC1 ZINC000104173724 1204612533 /nfs/dbraw/zinc/61/25/33/1204612533.db2.gz HIBMOBQNZQNXOW-SFHVURJKSA-N 1 3 344.503 2.123 20 30 EEEDHO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)Oc1cccc(F)c1 ZINC000304850397 1216109040 /nfs/dbraw/zinc/10/90/40/1216109040.db2.gz QTCNSVZULITZRF-JKSUJKDBSA-N 1 3 336.455 2.372 20 30 EEEDHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001412949513 1216145639 /nfs/dbraw/zinc/14/56/39/1216145639.db2.gz VGFVFQJCWYJLMI-RBUKOAKNSA-N 1 3 331.460 2.024 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681238 1221487084 /nfs/dbraw/zinc/48/70/84/1221487084.db2.gz HXKZIJQRJAFKEW-IEBWSBKVSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)CC1 ZINC000968681238 1221487086 /nfs/dbraw/zinc/48/70/86/1221487086.db2.gz HXKZIJQRJAFKEW-IEBWSBKVSA-N 1 3 333.520 2.204 20 30 EEEDHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)CC1 ZINC001019560516 1229185639 /nfs/dbraw/zinc/18/56/39/1229185639.db2.gz JYZXNWRTMWFDBV-HNNXBMFYSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430357 1231227706 /nfs/dbraw/zinc/22/77/06/1231227706.db2.gz BGJWPJUJQBQSRY-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724352 1231662453 /nfs/dbraw/zinc/66/24/53/1231662453.db2.gz VLRLWSSGJAMNOZ-UYAOXDASSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724352 1231662455 /nfs/dbraw/zinc/66/24/55/1231662455.db2.gz VLRLWSSGJAMNOZ-UYAOXDASSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C[C@@H](F)CC)C3)C2)CC1 ZINC001041844977 1231728312 /nfs/dbraw/zinc/72/83/12/1231728312.db2.gz QRURZLCTNUOKFU-ICSRJNTNSA-N 1 3 349.494 2.004 20 30 EEEDHO 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C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086938323 793023181 /nfs/dbraw/zinc/02/31/81/793023181.db2.gz NKUJFQFVAYQDDK-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001086938323 793023193 /nfs/dbraw/zinc/02/31/93/793023193.db2.gz NKUJFQFVAYQDDK-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941006 793029489 /nfs/dbraw/zinc/02/94/89/793029489.db2.gz GZKHLEIPDYGQQR-SFHVURJKSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC001092101720 793562045 /nfs/dbraw/zinc/56/20/45/793562045.db2.gz MYHSBKHGUHDNGQ-CTNGQTDRSA-N 1 3 339.483 2.165 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998980318 793630031 /nfs/dbraw/zinc/63/00/31/793630031.db2.gz LHFCCUKLQZKINN-UHFFFAOYSA-N 1 3 325.884 2.194 20 30 EEEDHO C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](N2CCCCC2)C1 ZINC000089061766 793882538 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WHUFHNFLBYTMDT-CKEIUWERSA-N 1 3 348.516 2.144 20 30 EEEDHO CC#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001001475389 796941187 /nfs/dbraw/zinc/94/11/87/796941187.db2.gz CWKAFWXBJLZIDN-IBGZPJMESA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475389 796941191 /nfs/dbraw/zinc/94/11/91/796941191.db2.gz CWKAFWXBJLZIDN-IBGZPJMESA-N 1 3 331.504 2.245 20 30 EEEDHO C[C@H](CCCCNCc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001175048305 797976738 /nfs/dbraw/zinc/97/67/38/797976738.db2.gz GFBNFNUVSPGFGS-MRXNPFEDSA-N 1 3 330.476 2.275 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)[C@H]2C)CC1 ZINC000994471072 798050554 /nfs/dbraw/zinc/05/05/54/798050554.db2.gz AKNDASOJFVAUCR-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)[C@H]2C)CC1 ZINC000994471072 798050560 /nfs/dbraw/zinc/05/05/60/798050560.db2.gz AKNDASOJFVAUCR-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585858 806695608 /nfs/dbraw/zinc/69/56/08/806695608.db2.gz VUJXSFSLBDEWGZ-BJLQDIEVSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177339499 798872905 /nfs/dbraw/zinc/87/29/05/798872905.db2.gz IQJRBYSGRKCKJF-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC(C)(C)C1 ZINC001177416285 798934144 /nfs/dbraw/zinc/93/41/44/798934144.db2.gz ZHNFRIUJJSPAMZ-UHFFFAOYSA-N 1 3 333.520 2.350 20 30 EEEDHO C=CCCCCCN1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212509502 799528690 /nfs/dbraw/zinc/52/86/90/799528690.db2.gz DFFNVRREUIARAO-QZTJIDSGSA-N 1 3 349.519 2.177 20 30 EEEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780509 804502335 /nfs/dbraw/zinc/50/23/35/804502335.db2.gz DSIQZRGASRCDEX-FHWLQOOXSA-N 1 3 333.520 2.491 20 30 EEEDHO CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001108830470 804554132 /nfs/dbraw/zinc/55/41/32/804554132.db2.gz NMPHWRBCXFTOAG-UHOSZYNNSA-N 1 3 339.483 2.354 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114824 1093176484 /nfs/dbraw/zinc/17/64/84/1093176484.db2.gz FMUZOXHSQBLVKK-LPHOPBHVSA-N 1 3 342.487 2.227 20 30 EEEDHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001444863989 1099859403 /nfs/dbraw/zinc/85/94/03/1099859403.db2.gz FBGOTJOHZFDMKF-SFHVURJKSA-N 1 3 342.487 2.273 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713172 1106940900 /nfs/dbraw/zinc/94/09/00/1106940900.db2.gz ZJBLMCQYWFJHET-RTBURBONSA-N 1 3 342.487 2.417 20 30 EEEDHO CCOC(=O)C1([C@H](C)NC2(c3cccc(C#N)c3)CC2)CC[NH2+]CC1 ZINC000423021950 240331731 /nfs/dbraw/zinc/33/17/31/240331731.db2.gz DBSWVQVUJMKPEQ-HNNXBMFYSA-N 1 3 341.455 2.458 20 30 EEEDHO C#CCN1CCC(C(=O)Nc2c[nH+]ccc2NC(CC)CC)CC1 ZINC000491495702 533148666 /nfs/dbraw/zinc/14/86/66/533148666.db2.gz LFTFGAVYRQOVTI-UHFFFAOYSA-N 1 3 328.460 2.388 20 30 EEEDHO N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000530233247 268297352 /nfs/dbraw/zinc/29/73/52/268297352.db2.gz VXFAONQHXVKKTN-IBGZPJMESA-N 1 3 343.471 2.295 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000139058131 463317744 /nfs/dbraw/zinc/31/77/44/463317744.db2.gz NFXPBTNREBLDSS-FUHWJXTLSA-N 1 3 334.508 2.153 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000139058131 463317745 /nfs/dbraw/zinc/31/77/45/463317745.db2.gz NFXPBTNREBLDSS-FUHWJXTLSA-N 1 3 334.508 2.153 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccccc12 ZINC000267477538 464934313 /nfs/dbraw/zinc/93/43/13/464934313.db2.gz ZQFPREMQGQPORI-MRXNPFEDSA-N 1 3 327.476 2.489 20 30 EEEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H](N)CCCC#N ZINC000424139068 466988708 /nfs/dbraw/zinc/98/87/08/466988708.db2.gz DVTPOTNFMROXJC-NUJGCVRESA-N 1 3 342.487 2.280 20 30 EEEDHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424181655 466998530 /nfs/dbraw/zinc/99/85/30/466998530.db2.gz ROFNHILNEYBHSX-SJLPKXTDSA-N 1 3 328.460 2.131 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888869 679672541 /nfs/dbraw/zinc/67/25/41/679672541.db2.gz FBRKBHIQSXPHAG-YOEHRIQHSA-N 1 3 346.500 2.042 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000972267148 678470805 /nfs/dbraw/zinc/47/08/05/678470805.db2.gz SMCUTHZSEVARAK-RTBURBONSA-N 1 3 342.487 2.177 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C#N)C1)N(C)C ZINC001024039512 679772702 /nfs/dbraw/zinc/77/27/02/679772702.db2.gz XSTGZAUOCBKDLT-VQIMIIECSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[C@@H]1CCCCN1CCNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262360197 685653507 /nfs/dbraw/zinc/65/35/07/685653507.db2.gz GPWPMCVLPVXLLE-YYIAUSFCSA-N 1 3 336.524 2.229 20 30 EEEDHO [NH2+]=C(NCc1ccc(F)cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000262574754 687301251 /nfs/dbraw/zinc/30/12/51/687301251.db2.gz ZWCZECIWCIQDPR-UHFFFAOYSA-N 1 3 341.434 2.290 20 30 EEEDHO C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262789156 688472346 /nfs/dbraw/zinc/47/23/46/688472346.db2.gz NJRJNBXJGCAUEW-ROUUACIJSA-N 1 3 336.524 2.063 20 30 EEEDHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001482533390 1186541884 /nfs/dbraw/zinc/54/18/84/1186541884.db2.gz LRFZIQNIBCFISS-MRXNPFEDSA-N 1 3 348.516 2.334 20 30 EEEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575012 1188189110 /nfs/dbraw/zinc/18/91/10/1188189110.db2.gz OZSIOZGDVKVPQW-SFHVURJKSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Br)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320820 1188291142 /nfs/dbraw/zinc/29/11/42/1188291142.db2.gz QXUGJOFKGTUBFJ-UHFFFAOYSA-N 1 3 346.313 2.111 20 30 EEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244374 1188805875 /nfs/dbraw/zinc/80/58/75/1188805875.db2.gz PSBHLIXVTOGCRX-FRQCXROJSA-N 1 3 337.483 2.308 20 30 EEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244374 1188805878 /nfs/dbraw/zinc/80/58/78/1188805878.db2.gz PSBHLIXVTOGCRX-FRQCXROJSA-N 1 3 337.483 2.308 20 30 EEEDHO C=C(C)CN1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076447259 1188923701 /nfs/dbraw/zinc/92/37/01/1188923701.db2.gz ZDIAOSLUWWUGTK-RBUKOAKNSA-N 1 3 331.504 2.217 20 30 EEEDHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(N(C)C)CCC1 ZINC001134583421 1199672472 /nfs/dbraw/zinc/67/24/72/1199672472.db2.gz KFRNNIGADKFQSI-HOTGVXAUSA-N 1 3 342.487 2.415 20 30 EEEDHO C[NH+]1CCC(CNC(=O)[C@@H](N)CCCCC#N)(c2ccccc2)CC1 ZINC000877224080 1199883723 /nfs/dbraw/zinc/88/37/23/1199883723.db2.gz DAYNCRFMZVBFNK-SFHVURJKSA-N 1 3 342.487 2.177 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(F)(F)F ZINC000104158611 1204610594 /nfs/dbraw/zinc/61/05/94/1204610594.db2.gz JIWSLJOZZGRMTJ-CYBMUJFWSA-N 1 3 344.381 2.474 20 30 EEEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NCC2CCC2)CC1 ZINC000104166070 1204611555 /nfs/dbraw/zinc/61/15/55/1204611555.db2.gz OIJGOJHFXLUUJK-UHFFFAOYSA-N 1 3 343.519 2.029 20 30 EEEDHO C=CCCN1CCOC2(CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000949531600 1209730364 /nfs/dbraw/zinc/73/03/64/1209730364.db2.gz MDLLAMLYQZLOTJ-UHFFFAOYSA-N 1 3 349.519 2.132 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccccc1F ZINC000303780765 1213905596 /nfs/dbraw/zinc/90/55/96/1213905596.db2.gz LPEYDWARASYYNC-OAHLLOKOSA-N 1 3 338.496 2.448 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1Cl ZINC000304814390 1216107323 /nfs/dbraw/zinc/10/73/23/1216107323.db2.gz ZPJOFWVJJOYXDD-UONOGXRCSA-N 1 3 338.883 2.496 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961260104 1217115530 /nfs/dbraw/zinc/11/55/30/1217115530.db2.gz KAYWKCLSKIGQCO-WOJBJXKFSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961260104 1217115533 /nfs/dbraw/zinc/11/55/33/1217115533.db2.gz KAYWKCLSKIGQCO-WOJBJXKFSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336073 1226358466 /nfs/dbraw/zinc/35/84/66/1226358466.db2.gz HYCMKMNKIOGEIW-LJQANCHMSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336073 1226358471 /nfs/dbraw/zinc/35/84/71/1226358471.db2.gz HYCMKMNKIOGEIW-LJQANCHMSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040272903 1231144553 /nfs/dbraw/zinc/14/45/53/1231144553.db2.gz ACIUHBUVTBJLLV-AZUAARDMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040272903 1231144555 /nfs/dbraw/zinc/14/45/55/1231144555.db2.gz ACIUHBUVTBJLLV-AZUAARDMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC001040393734 1231204950 /nfs/dbraw/zinc/20/49/50/1231204950.db2.gz DCCURYUAFKGHFU-UXHICEINSA-N 1 3 349.494 2.147 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001040393734 1231204952 /nfs/dbraw/zinc/20/49/52/1231204952.db2.gz DCCURYUAFKGHFU-UXHICEINSA-N 1 3 349.494 2.147 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464012 1231247417 /nfs/dbraw/zinc/24/74/17/1231247417.db2.gz KBQBHQLCVIFVFZ-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464012 1231247420 /nfs/dbraw/zinc/24/74/20/1231247420.db2.gz KBQBHQLCVIFVFZ-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001045966332 1234245556 /nfs/dbraw/zinc/24/55/56/1234245556.db2.gz UANIVKALFIBOPD-FQEVSTJZSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001045966332 1234245558 /nfs/dbraw/zinc/24/55/58/1234245558.db2.gz UANIVKALFIBOPD-FQEVSTJZSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709784 1244804756 /nfs/dbraw/zinc/80/47/56/1244804756.db2.gz RVJRBNKGXLBTNO-HXUWFJFHSA-N 1 3 341.499 2.398 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954893 1245549048 /nfs/dbraw/zinc/54/90/48/1245549048.db2.gz VYFRVRJAIZUHLD-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954893 1245549055 /nfs/dbraw/zinc/54/90/55/1245549055.db2.gz VYFRVRJAIZUHLD-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001101597413 1246007252 /nfs/dbraw/zinc/00/72/52/1246007252.db2.gz JPTBZWQPIVCQKR-SFHVURJKSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589679 1247619587 /nfs/dbraw/zinc/61/95/87/1247619587.db2.gz MMFHOYBENPTFOW-SFHVURJKSA-N 1 3 327.472 2.008 20 30 EEEDHO C#CCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001052589678 1247620312 /nfs/dbraw/zinc/62/03/12/1247620312.db2.gz MMFHOYBENPTFOW-GOSISDBHSA-N 1 3 327.472 2.008 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245088 1247860574 /nfs/dbraw/zinc/86/05/74/1247860574.db2.gz OOIXFPCFXSAZCV-ICSRJNTNSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCCCCC[C@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788268 1298148104 /nfs/dbraw/zinc/14/81/04/1298148104.db2.gz PKVMJUGAFXUYTL-WMZOPIPTSA-N 1 3 332.492 2.178 20 30 EEEDHO C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396934 1302905262 /nfs/dbraw/zinc/90/52/62/1302905262.db2.gz QLFIOIWMBKDCDL-HUUCEWRRSA-N 1 3 348.516 2.146 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112195389 1304318353 /nfs/dbraw/zinc/31/83/53/1304318353.db2.gz XTAPFLKTFHZGBU-ZIAGYGMSSA-N 1 3 335.414 2.273 20 30 EEEDHO N#Cc1ccc(C2CCC([NH2+]C[C@]3(O)CCNC[C@@H]3F)CC2)cc1 ZINC001246083465 1310233991 /nfs/dbraw/zinc/23/39/91/1310233991.db2.gz PKKUQLWQLMQUSI-WZOJCFFYSA-N 1 3 331.435 2.237 20 30 EEEDHO C=C(C)CN1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841849 1316062038 /nfs/dbraw/zinc/06/20/38/1316062038.db2.gz KYRZLZGQILMOIO-ZWKOTPCHSA-N 1 3 337.508 2.033 20 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/nfs/dbraw/zinc/63/52/73/1317635273.db2.gz YFERKKFCDKKLKV-HBMCJLEFSA-N 1 3 348.531 2.384 20 30 EEEDHO CC(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001166010482 1321635781 /nfs/dbraw/zinc/63/57/81/1321635781.db2.gz OMECRRXRLDQSSM-GOSISDBHSA-N 1 3 349.906 2.374 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001166626675 1321752732 /nfs/dbraw/zinc/75/27/32/1321752732.db2.gz IZCVVSKMZWRVHX-INIZCTEOSA-N 1 3 347.890 2.272 20 30 EEEDHO CC#CC[NH2+]CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206274884 1323443600 /nfs/dbraw/zinc/44/36/00/1323443600.db2.gz MOYLRIBPODJDAA-LJQANCHMSA-N 1 3 337.483 2.050 20 30 EEEDHO C=CCOCc1nn(CC2CC2)c2c1CN(CC1CC[NH2+]CC1)CC2 ZINC001207435395 1323971789 /nfs/dbraw/zinc/97/17/89/1323971789.db2.gz NEQDRYYRRJCLSU-UHFFFAOYSA-N 1 3 344.503 2.353 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001210751065 1325415325 /nfs/dbraw/zinc/41/53/25/1325415325.db2.gz RSQLNFXGRJWRCU-OAHLLOKOSA-N 1 3 348.516 2.432 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001210772843 1325424914 /nfs/dbraw/zinc/42/49/14/1325424914.db2.gz BLOYTMKONHDCRE-FQEVSTJZSA-N 1 3 341.499 2.351 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001210772843 1325424916 /nfs/dbraw/zinc/42/49/16/1325424916.db2.gz BLOYTMKONHDCRE-FQEVSTJZSA-N 1 3 341.499 2.351 20 30 EEEDHO CCC(CC)Nc1ccncc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001577078375 1344087480 /nfs/dbraw/zinc/08/74/80/1344087480.db2.gz YKAOIOBNTXRJTP-BIWSTMPVSA-N 1 3 341.459 2.182 20 30 EEEDHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001134759242 1367776984 /nfs/dbraw/zinc/77/69/84/1367776984.db2.gz JMPWFHVZVLDSAO-GOSISDBHSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001112353347 1371410217 /nfs/dbraw/zinc/41/02/17/1371410217.db2.gz CVPCAJKPKGSCKE-BJLQDIEVSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC001120197205 1371813548 /nfs/dbraw/zinc/81/35/48/1371813548.db2.gz YBVWIGNSTRYIRQ-UHFFFAOYSA-N 1 3 327.472 2.404 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001393827569 1390554565 /nfs/dbraw/zinc/55/45/65/1390554565.db2.gz KPMVIXYDWYKCGT-BBRMVZONSA-N 1 3 336.505 2.190 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c(F)cccc1Cl ZINC000305050995 1409798069 /nfs/dbraw/zinc/79/80/69/1409798069.db2.gz CPCHZQOIKYZBHI-LBPRGKRZSA-N 1 3 326.847 2.410 20 30 EEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439740 782355059 /nfs/dbraw/zinc/35/50/59/782355059.db2.gz UEHQZVXFBQERCL-IEBWSBKVSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439740 782355068 /nfs/dbraw/zinc/35/50/68/782355068.db2.gz UEHQZVXFBQERCL-IEBWSBKVSA-N 1 3 331.504 2.340 20 30 EEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291909 758132414 /nfs/dbraw/zinc/13/24/14/758132414.db2.gz ZLMDPXFEFPSKEL-DAXOMENPSA-N 1 3 327.900 2.153 20 30 EEEDHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001167480497 759825903 /nfs/dbraw/zinc/82/59/03/759825903.db2.gz HUDNEPYNNYWWEX-UHFFFAOYSA-N 1 3 342.487 2.276 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979715785 770939430 /nfs/dbraw/zinc/93/94/30/770939430.db2.gz RXSKNNYOTVBTOA-FHWLQOOXSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979715785 770939440 /nfs/dbraw/zinc/93/94/40/770939440.db2.gz RXSKNNYOTVBTOA-FHWLQOOXSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780014 783201519 /nfs/dbraw/zinc/20/15/19/783201519.db2.gz XSZFFNYWYVWHCS-QKLQHJQFSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC[C@@H]2C1 ZINC000946780014 783201524 /nfs/dbraw/zinc/20/15/24/783201524.db2.gz XSZFFNYWYVWHCS-QKLQHJQFSA-N 1 3 349.494 2.003 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001035050720 783655683 /nfs/dbraw/zinc/65/56/83/783655683.db2.gz HKPRDNZMEGWSEK-VQIMIIECSA-N 1 3 340.471 2.123 20 30 EEEDHO C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960705 784900888 /nfs/dbraw/zinc/90/08/88/784900888.db2.gz GMTIYJPDWAJDDQ-UONOGXRCSA-N 1 3 348.329 2.500 20 30 EEEDHO N#Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000998269956 792409738 /nfs/dbraw/zinc/40/97/38/792409738.db2.gz SDZQMCXGZPVTKR-UHFFFAOYSA-N 1 3 346.500 2.044 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001086927925 793051000 /nfs/dbraw/zinc/05/10/00/793051000.db2.gz QQSTVHSGNRBVRM-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927925 793051009 /nfs/dbraw/zinc/05/10/09/793051009.db2.gz QQSTVHSGNRBVRM-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000999278306 794201481 /nfs/dbraw/zinc/20/14/81/794201481.db2.gz IMMYPXRGXRPKNM-QQFBHYJXSA-N 1 3 327.900 2.440 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999278306 794201487 /nfs/dbraw/zinc/20/14/87/794201487.db2.gz IMMYPXRGXRPKNM-QQFBHYJXSA-N 1 3 327.900 2.440 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC(C)C)CC3)CC1 ZINC000992502092 794434925 /nfs/dbraw/zinc/43/49/25/794434925.db2.gz AKHOBSDBLZAHHK-ICSRJNTNSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC(C)C)CC3)CC1 ZINC000992502092 794434931 /nfs/dbraw/zinc/43/49/31/794434931.db2.gz AKHOBSDBLZAHHK-ICSRJNTNSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC[C@H](C)F)CC3)CC1 ZINC000992515709 794472626 /nfs/dbraw/zinc/47/26/26/794472626.db2.gz ZRBOVTSSPVUSCD-QRFRQXIXSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC[C@H](C)F)CC3)CC1 ZINC000992515709 794472630 /nfs/dbraw/zinc/47/26/30/794472630.db2.gz ZRBOVTSSPVUSCD-QRFRQXIXSA-N 1 3 349.494 2.193 20 30 EEEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902986 796441348 /nfs/dbraw/zinc/44/13/48/796441348.db2.gz SXITUAZYRWGDMU-PKOBYXMFSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902986 796441352 /nfs/dbraw/zinc/44/13/52/796441352.db2.gz SXITUAZYRWGDMU-PKOBYXMFSA-N 1 3 327.472 2.471 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001081134434 796662904 /nfs/dbraw/zinc/66/29/04/796662904.db2.gz VVQRTYZNYPUNFQ-IPMKNSEASA-N 1 3 329.488 2.487 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1c1ccccc1 ZINC001081178159 796678933 /nfs/dbraw/zinc/67/89/33/796678933.db2.gz IUCXNWLYKAFPIA-RBUKOAKNSA-N 1 3 341.499 2.489 20 30 EEEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001082575027 797595376 /nfs/dbraw/zinc/59/53/76/797595376.db2.gz GSEDOOAHWHMVDA-LZQZEXGQSA-N 1 3 342.487 2.081 20 30 EEEDHO C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099300022 797655738 /nfs/dbraw/zinc/65/57/38/797655738.db2.gz YTIIFVCSSWMEAH-KRWDZBQOSA-N 1 3 339.524 2.138 20 30 EEEDHO C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099300022 797655743 /nfs/dbraw/zinc/65/57/43/797655743.db2.gz YTIIFVCSSWMEAH-KRWDZBQOSA-N 1 3 339.524 2.138 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC(=C)Cl)CC1 ZINC001180361112 800383582 /nfs/dbraw/zinc/38/35/82/800383582.db2.gz TVUCODALCBCAKO-UHFFFAOYSA-N 1 3 339.911 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001085986411 801838961 /nfs/dbraw/zinc/83/89/61/801838961.db2.gz DCFUIYLSNORGHQ-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001085986411 801838968 /nfs/dbraw/zinc/83/89/68/801838968.db2.gz DCFUIYLSNORGHQ-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001086250123 802605495 /nfs/dbraw/zinc/60/54/95/802605495.db2.gz COFDIPUIGASZKK-WOVMCDHWSA-N 1 3 339.911 2.345 20 30 EEEDHO N#Cc1ccc(CNCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)s1 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EEEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001103751543 1371059937 /nfs/dbraw/zinc/05/99/37/1371059937.db2.gz FHPVWMCKRYCGHA-QWFCFKBJSA-N 1 3 347.547 2.452 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001103751543 1371059939 /nfs/dbraw/zinc/05/99/39/1371059939.db2.gz FHPVWMCKRYCGHA-QWFCFKBJSA-N 1 3 347.547 2.452 20 30 EEEDHO CCCCCCCCNC(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000849108182 1373241155 /nfs/dbraw/zinc/24/11/55/1373241155.db2.gz ICGQJGXEZKHIFB-UHFFFAOYSA-N 1 3 325.545 2.487 20 30 EEEDHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067789 1388427413 /nfs/dbraw/zinc/42/74/13/1388427413.db2.gz VANGEAIVQCVJNB-LJQANCHMSA-N 1 3 342.487 2.228 20 30 EEEDHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067789 1388427414 /nfs/dbraw/zinc/42/74/14/1388427414.db2.gz VANGEAIVQCVJNB-LJQANCHMSA-N 1 3 342.487 2.228 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001375568070 1377854812 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C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC001575048590 1403532369 /nfs/dbraw/zinc/53/23/69/1403532369.db2.gz KSJDMYTVNYSSFK-HUUCEWRRSA-N 1 3 332.423 2.132 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750171 1407808904 /nfs/dbraw/zinc/80/89/04/1407808904.db2.gz SFJCWACJOULKJA-MJGOQNOKSA-N 1 3 331.504 2.172 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030319 782401886 /nfs/dbraw/zinc/40/18/86/782401886.db2.gz NGTJNKNAASUULB-RBUKOAKNSA-N 1 3 340.471 2.171 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030319 782401896 /nfs/dbraw/zinc/40/18/96/782401896.db2.gz NGTJNKNAASUULB-RBUKOAKNSA-N 1 3 340.471 2.171 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458536 760844076 /nfs/dbraw/zinc/84/40/76/760844076.db2.gz JFKZXZGNEXWOOV-QGZVFWFLSA-N 1 3 342.487 2.316 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458536 760844090 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C[C@H](C[C@H](C)NCc1cc(F)ccc1C#N)NC(=O)CCC[NH+](C)C ZINC001135317302 783600714 /nfs/dbraw/zinc/60/07/14/783600714.db2.gz XKXBBWOZBVHTGQ-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485376 787381473 /nfs/dbraw/zinc/38/14/73/787381473.db2.gz YGWODOOMHCOSEN-WSTZPKSXSA-N 1 3 331.504 2.408 20 30 EEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485376 787381481 /nfs/dbraw/zinc/38/14/81/787381481.db2.gz YGWODOOMHCOSEN-WSTZPKSXSA-N 1 3 331.504 2.408 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171161898 789575073 /nfs/dbraw/zinc/57/50/73/789575073.db2.gz RDRPXNGXBNZWMP-KBPBESRZSA-N 1 3 346.313 2.111 20 30 EEEDHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997334933 789610497 /nfs/dbraw/zinc/61/04/97/789610497.db2.gz ZSBSZCCYOZXHHT-MJGOQNOKSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC=C)CC2)CC1 ZINC000997873455 791319649 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EEEDHO C#CCCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803912 797031556 /nfs/dbraw/zinc/03/15/56/797031556.db2.gz JVPSOQXACGGVCB-XLIONFOSSA-N 1 3 341.499 2.397 20 30 EEEDHO N#CCC1CCC(N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001173338047 797365219 /nfs/dbraw/zinc/36/52/19/797365219.db2.gz VSEGCYPJIHTABX-UHFFFAOYSA-N 1 3 332.492 2.121 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089401614 798384512 /nfs/dbraw/zinc/38/45/12/798384512.db2.gz VVHLPCZLMXRMJC-MSOLQXFVSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089401614 798384518 /nfs/dbraw/zinc/38/45/18/798384518.db2.gz VVHLPCZLMXRMJC-MSOLQXFVSA-N 1 3 333.520 2.491 20 30 EEEDHO C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563769 798497522 /nfs/dbraw/zinc/49/75/22/798497522.db2.gz HEDSNTIIGOZARL-QFBILLFUSA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563769 798497525 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345.531 2.252 20 30 EEEDHO C#CCNC(=O)CC[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000491750690 533163879 /nfs/dbraw/zinc/16/38/79/533163879.db2.gz WXSUFKAGQSZKEO-UHFFFAOYSA-N 1 3 347.890 2.281 20 30 EEEDHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1C#N ZINC000180938976 533536895 /nfs/dbraw/zinc/53/68/95/533536895.db2.gz WRPVEKJGKXMBLK-UHFFFAOYSA-N 1 3 330.476 2.025 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000332224847 268088352 /nfs/dbraw/zinc/08/83/52/268088352.db2.gz WXUTURAFGZUUNK-RTBURBONSA-N 1 3 336.439 2.327 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000050025646 462984679 /nfs/dbraw/zinc/98/46/79/462984679.db2.gz HKURXAVPOOMAHE-UHFFFAOYSA-N 1 3 341.499 2.490 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)CSCC[NH+](CC)CC)CC1 ZINC000073436939 463612327 /nfs/dbraw/zinc/61/23/27/463612327.db2.gz FNKWHXDZMDTGGS-UHFFFAOYSA-N 1 3 327.538 2.218 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000178903901 464009910 /nfs/dbraw/zinc/00/99/10/464009910.db2.gz 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464692983 /nfs/dbraw/zinc/69/29/83/464692983.db2.gz AHERIQWFIFSSJM-UHFFFAOYSA-N 1 3 344.503 2.467 20 30 EEEDHO [NH2+]=C(NCc1ccccc1CN1CCC(O)CC1)NC1CCCCC1 ZINC000267457884 464933897 /nfs/dbraw/zinc/93/38/97/464933897.db2.gz UAECPAKXGBFQQQ-UHFFFAOYSA-N 1 3 344.503 2.380 20 30 EEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)C(C)C ZINC000359218222 465387448 /nfs/dbraw/zinc/38/74/48/465387448.db2.gz DFJUPZCAVJOZQY-FUHWJXTLSA-N 1 3 334.508 2.221 20 30 EEEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330419517 465652118 /nfs/dbraw/zinc/65/21/18/465652118.db2.gz GACIKRVHGXBDRX-WBVHZDCISA-N 1 3 334.508 2.095 20 30 EEEDHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303040088 466219035 /nfs/dbraw/zinc/21/90/35/466219035.db2.gz LYSCWPYJIGHXHS-GOSISDBHSA-N 1 3 331.460 2.103 20 30 EEEDHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303040088 466219036 /nfs/dbraw/zinc/21/90/36/466219036.db2.gz LYSCWPYJIGHXHS-GOSISDBHSA-N 1 3 331.460 2.103 20 30 EEEDHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424156785 466991507 /nfs/dbraw/zinc/99/15/07/466991507.db2.gz QCAFSFYDHGFWSP-CRAIPNDOSA-N 1 3 344.459 2.367 20 30 EEEDHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)C1 ZINC000424156785 466991511 /nfs/dbraw/zinc/99/15/11/466991511.db2.gz QCAFSFYDHGFWSP-CRAIPNDOSA-N 1 3 344.459 2.367 20 30 EEEDHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598259989 468809223 /nfs/dbraw/zinc/80/92/23/468809223.db2.gz IFADVMTZDXXMPF-APWZRJJASA-N 1 3 338.455 2.477 20 30 EEEDHO C=C(C)[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OCC ZINC000371055341 526747528 /nfs/dbraw/zinc/74/75/28/526747528.db2.gz QWBYGFPJXXFZEI-GOSISDBHSA-N 1 3 337.508 2.033 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671658 676326927 /nfs/dbraw/zinc/32/69/27/676326927.db2.gz UWLLKQPNLMRTHQ-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671658 676326930 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348.535 2.326 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001027062892 686020385 /nfs/dbraw/zinc/02/03/85/686020385.db2.gz DJFXRUVGMNOOBJ-LSDHHAIUSA-N 1 3 346.500 2.042 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413210 1186825974 /nfs/dbraw/zinc/82/59/74/1186825974.db2.gz ALISMKDOICLPCE-JKSUJKDBSA-N 1 3 327.900 2.442 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001088413210 1186825978 /nfs/dbraw/zinc/82/59/78/1186825978.db2.gz ALISMKDOICLPCE-JKSUJKDBSA-N 1 3 327.900 2.442 20 30 EEEDHO C[C@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)[NH+]1CCCCCC1 ZINC001134750241 1199791334 /nfs/dbraw/zinc/79/13/34/1199791334.db2.gz QLLCGTKFAGRXSW-OAHLLOKOSA-N 1 3 346.450 2.168 20 30 EEEDHO C=CCn1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001275381322 1205330507 /nfs/dbraw/zinc/33/05/07/1205330507.db2.gz RIELWRYMZPBJML-MOPGFXCFSA-N 1 3 331.508 2.155 20 30 EEEDHO Cc1ccc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)c(C#N)c1 ZINC001275615944 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1234281381 /nfs/dbraw/zinc/28/13/81/1234281381.db2.gz CRBICHQOAHCSMM-HXUWFJFHSA-N 1 3 331.504 2.200 20 30 EEEDHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001045986673 1234282626 /nfs/dbraw/zinc/28/26/26/1234282626.db2.gz XZKQNZOSVNWMRT-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001045986673 1234282629 /nfs/dbraw/zinc/28/26/29/1234282629.db2.gz XZKQNZOSVNWMRT-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188645 1240043720 /nfs/dbraw/zinc/04/37/20/1240043720.db2.gz BRYGJKZNYXCBAX-LPHOPBHVSA-N 1 3 340.471 2.123 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001073627262 1242589298 /nfs/dbraw/zinc/58/92/98/1242589298.db2.gz KWMXMPMFOXKPOB-ZWKOTPCHSA-N 1 3 337.508 2.034 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001073627262 1242589303 /nfs/dbraw/zinc/58/93/03/1242589303.db2.gz KWMXMPMFOXKPOB-ZWKOTPCHSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC=C(C)C)CC1 ZINC001049909344 1242655705 /nfs/dbraw/zinc/65/57/05/1242655705.db2.gz ADXJDIKONQSRJC-PMACEKPBSA-N 1 3 343.515 2.363 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC=C(C)C)CC1 ZINC001049909344 1242655717 /nfs/dbraw/zinc/65/57/17/1242655717.db2.gz ADXJDIKONQSRJC-PMACEKPBSA-N 1 3 343.515 2.363 20 30 EEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001072983390 1255546631 /nfs/dbraw/zinc/54/66/31/1255546631.db2.gz UZBJCKMESYJJRQ-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001072983390 1255546633 /nfs/dbraw/zinc/54/66/33/1255546633.db2.gz UZBJCKMESYJJRQ-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001098191549 1257619743 /nfs/dbraw/zinc/61/97/43/1257619743.db2.gz JWSOUOGTFJIDEP-YRXWBPOGSA-N 1 3 331.504 2.386 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191549 1257619747 /nfs/dbraw/zinc/61/97/47/1257619747.db2.gz JWSOUOGTFJIDEP-YRXWBPOGSA-N 1 3 331.504 2.386 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001193601113 1282630673 /nfs/dbraw/zinc/63/06/73/1282630673.db2.gz SIGSJUPFOIERGD-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001193601113 1282630687 /nfs/dbraw/zinc/63/06/87/1282630687.db2.gz SIGSJUPFOIERGD-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCCO1 ZINC001201558270 1289665760 /nfs/dbraw/zinc/66/57/60/1289665760.db2.gz NGOQLIMJVWXWLS-ZWKOTPCHSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073455498 1297082836 /nfs/dbraw/zinc/08/28/36/1297082836.db2.gz JIJZQADHOHKOAI-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001073455498 1297082851 /nfs/dbraw/zinc/08/28/51/1297082851.db2.gz JIJZQADHOHKOAI-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001073821519 1297572450 /nfs/dbraw/zinc/57/24/50/1297572450.db2.gz LOOVSAWKSXZRGE-IBGZPJMESA-N 1 3 345.487 2.145 20 30 EEEDHO N#CC1(NC(=O)[C@H]([NH3+])c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC001220643484 1298485585 /nfs/dbraw/zinc/48/55/85/1298485585.db2.gz HMSBGYKRJFBOEV-LJQANCHMSA-N 1 3 348.450 2.361 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463534 1298797482 /nfs/dbraw/zinc/79/74/82/1298797482.db2.gz WZJHTMSHJBMXSQ-YRXWBPOGSA-N 1 3 331.504 2.242 20 30 EEEDHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC001228366548 1302227006 /nfs/dbraw/zinc/22/70/06/1302227006.db2.gz RVWFZZPBJGFOSE-QZTJIDSGSA-N 1 3 346.450 2.166 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001230284852 1303141522 /nfs/dbraw/zinc/14/15/22/1303141522.db2.gz XDEOIHSXHVNDAR-RTBURBONSA-N 1 3 342.487 2.415 20 30 EEEDHO C=CCOCCN1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001230288760 1303143781 /nfs/dbraw/zinc/14/37/81/1303143781.db2.gz XCUIWFAICJPDKP-UHFFFAOYSA-N 1 3 337.508 2.036 20 30 EEEDHO C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001149818212 1316055808 /nfs/dbraw/zinc/05/58/08/1316055808.db2.gz QLAPEZIYFQVZOE-ZWKOTPCHSA-N 1 3 337.508 2.034 20 30 EEEDHO C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001149818212 1316055812 /nfs/dbraw/zinc/05/58/12/1316055812.db2.gz QLAPEZIYFQVZOE-ZWKOTPCHSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2cccc3ccccc32)CC1 ZINC001152335089 1316658083 /nfs/dbraw/zinc/65/80/83/1316658083.db2.gz ZUSSEZPBAFKQKF-UHFFFAOYSA-N 1 3 349.478 2.391 20 30 EEEDHO C=CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001252495338 1317616514 /nfs/dbraw/zinc/61/65/14/1317616514.db2.gz MFGLTGXHRKEVSU-GOSISDBHSA-N 1 3 336.451 2.191 20 30 EEEDHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001159837411 1320002078 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CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1)N(C)C ZINC001375519118 1377809534 /nfs/dbraw/zinc/80/95/34/1377809534.db2.gz PATWQXIJSWXGCZ-UWWQBHOKSA-N 1 3 346.450 2.022 20 30 EEEDHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001378257347 1379826442 /nfs/dbraw/zinc/82/64/42/1379826442.db2.gz UAJXVWZKJOQGSW-MRXNPFEDSA-N 1 3 346.450 2.166 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001378789291 1380176163 /nfs/dbraw/zinc/17/61/63/1380176163.db2.gz LZZOQFJXNZMSTG-YJBOKZPZSA-N 1 3 330.476 2.081 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001382358826 1382085644 /nfs/dbraw/zinc/08/56/44/1382085644.db2.gz URIJCOMIVUPHLG-VQIMIIECSA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001382358826 1382085651 /nfs/dbraw/zinc/08/56/51/1382085651.db2.gz URIJCOMIVUPHLG-VQIMIIECSA-N 1 3 342.487 2.275 20 30 EEEDHO CC#CC[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001752855302 1406490872 /nfs/dbraw/zinc/49/08/72/1406490872.db2.gz REUFQEQJMLNTDJ-UHFFFAOYSA-N 1 3 327.472 2.402 20 30 EEEDHO C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001755516993 1407572197 /nfs/dbraw/zinc/57/21/97/1407572197.db2.gz RAPIURWZJKIMON-IRXDYDNUSA-N 1 3 342.487 2.275 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030316 782401063 /nfs/dbraw/zinc/40/10/63/782401063.db2.gz NGTJNKNAASUULB-MOPGFXCFSA-N 1 3 340.471 2.171 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030316 782401067 /nfs/dbraw/zinc/40/10/67/782401067.db2.gz NGTJNKNAASUULB-MOPGFXCFSA-N 1 3 340.471 2.171 20 30 EEEDHO C=CCOCC[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240187 757553673 /nfs/dbraw/zinc/55/36/73/757553673.db2.gz DYOCMJHFHPHZDK-UHFFFAOYSA-N 1 3 339.524 2.043 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454327 760712227 /nfs/dbraw/zinc/71/22/27/760712227.db2.gz QSBKCWBXLMHLDT-IEBWSBKVSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454327 760712230 /nfs/dbraw/zinc/71/22/30/760712230.db2.gz QSBKCWBXLMHLDT-IEBWSBKVSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530882 782633148 /nfs/dbraw/zinc/63/31/48/782633148.db2.gz XTNCBJMLOHRCRV-YLJYHZDGSA-N 1 3 341.499 2.254 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130143 782951291 /nfs/dbraw/zinc/95/12/91/782951291.db2.gz YCYLQZLDWMZEJH-CEXWTWQISA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130143 782951293 /nfs/dbraw/zinc/95/12/93/782951293.db2.gz YCYLQZLDWMZEJH-CEXWTWQISA-N 1 3 331.504 2.053 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776891 783129113 /nfs/dbraw/zinc/12/91/13/783129113.db2.gz WIBCONILCFCTQU-HDICACEKSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776891 783129121 /nfs/dbraw/zinc/12/91/21/783129121.db2.gz WIBCONILCFCTQU-HDICACEKSA-N 1 3 333.520 2.465 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980248976 774160165 /nfs/dbraw/zinc/16/01/65/774160165.db2.gz XGYHEMFSFHSPKZ-SLFFLAALSA-N 1 3 339.483 2.212 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980248976 774160167 /nfs/dbraw/zinc/16/01/67/774160167.db2.gz XGYHEMFSFHSPKZ-SLFFLAALSA-N 1 3 339.483 2.212 20 30 EEEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052212 778998544 /nfs/dbraw/zinc/99/85/44/778998544.db2.gz DKFDBXKAWRSYKS-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052212 778998551 /nfs/dbraw/zinc/99/85/51/778998551.db2.gz DKFDBXKAWRSYKS-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860219 790871550 /nfs/dbraw/zinc/87/15/50/790871550.db2.gz ADIDCTHAUGJHIF-RVKKMQEKSA-N 1 3 325.472 2.354 20 30 EEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860219 790871561 /nfs/dbraw/zinc/87/15/61/790871561.db2.gz ADIDCTHAUGJHIF-RVKKMQEKSA-N 1 3 325.472 2.354 20 30 EEEDHO C[C@@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1cc(F)ccc1C#N ZINC001135317300 783600774 /nfs/dbraw/zinc/60/07/74/783600774.db2.gz XKXBBWOZBVHTGQ-GJZGRUSLSA-N 1 3 348.466 2.412 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001035051963 783658367 /nfs/dbraw/zinc/65/83/67/783658367.db2.gz VCKSPKIKNGSVRO-HUUCEWRRSA-N 1 3 346.500 2.185 20 30 EEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574987 783887932 /nfs/dbraw/zinc/88/79/32/783887932.db2.gz NLYBNOCOKZPHMV-RTBURBONSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000948574987 783887937 /nfs/dbraw/zinc/88/79/37/783887937.db2.gz NLYBNOCOKZPHMV-RTBURBONSA-N 1 3 333.520 2.443 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001135742968 784351527 /nfs/dbraw/zinc/35/15/27/784351527.db2.gz BNQPCWZAKDSMHI-HOTGVXAUSA-N 1 3 330.476 2.273 20 30 EEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911735086 787670240 /nfs/dbraw/zinc/67/02/40/787670240.db2.gz DUNFKURTUOHNKA-QGZVFWFLSA-N 1 3 345.443 2.218 20 30 EEEDHO CC(C)(C)[NH+]=C(NCc1ccccc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000912499555 788210781 /nfs/dbraw/zinc/21/07/81/788210781.db2.gz QVSRWLOARZUUOX-QZTJIDSGSA-N 1 3 344.503 2.384 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996993249 788377007 /nfs/dbraw/zinc/37/70/07/788377007.db2.gz CAGQFMAVBVEGBG-AWEZNQCLSA-N 1 3 346.500 2.185 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)c(OC)c1 ZINC000923382855 789466307 /nfs/dbraw/zinc/46/63/07/789466307.db2.gz SHYPCYAOPITLMQ-BRWVUGGUSA-N 1 3 334.460 2.023 20 30 EEEDHO C#CCN1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992512494 794463962 /nfs/dbraw/zinc/46/39/62/794463962.db2.gz STRVBZQAWXECJM-AZUAARDMSA-N 1 3 325.456 2.108 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533314 806351050 /nfs/dbraw/zinc/35/10/50/806351050.db2.gz GAQABJVSTLVGHZ-YHUYYLMFSA-N 1 3 327.900 2.344 20 30 EEEDHO C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](CC)N(C)C)CCO2 ZINC001093400499 795179058 /nfs/dbraw/zinc/17/90/58/795179058.db2.gz ZCCZOVAWINRDPE-TVRKMHQQSA-N 1 3 337.508 2.033 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C/C=C/Cl)C2)CC1 ZINC001036904548 796447640 /nfs/dbraw/zinc/44/76/40/796447640.db2.gz UAUWWYGGPOHBJX-IINIBRLJSA-N 1 3 349.906 2.007 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C/C=C/Cl)C2)CC1 ZINC001036904548 796447643 /nfs/dbraw/zinc/44/76/43/796447643.db2.gz UAUWWYGGPOHBJX-IINIBRLJSA-N 1 3 349.906 2.007 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC001081158730 796666622 /nfs/dbraw/zinc/66/66/22/796666622.db2.gz WYVZYUMSLAWTOR-RBUKOAKNSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=C)Cl)C23CCC3)CC1 ZINC001078819773 797025637 /nfs/dbraw/zinc/02/56/37/797025637.db2.gz RKKILXZFMQMHAN-SJORKVTESA-N 1 3 349.906 2.101 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099284521 797401725 /nfs/dbraw/zinc/40/17/25/797401725.db2.gz DWJKEVRAZKRLFS-RBSFLKMASA-N 1 3 345.409 2.026 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501175 798107024 /nfs/dbraw/zinc/10/70/24/798107024.db2.gz SEPPHIMQSKNYNR-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501175 798107027 /nfs/dbraw/zinc/10/70/27/798107027.db2.gz SEPPHIMQSKNYNR-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176986408 798675042 /nfs/dbraw/zinc/67/50/42/798675042.db2.gz NHEMPWDKYJXDOX-SFHVURJKSA-N 1 3 328.460 2.029 20 30 EEEDHO C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179498700 799964590 /nfs/dbraw/zinc/96/45/90/799964590.db2.gz DMCSLBWHRSAXHT-QGZVFWFLSA-N 1 3 327.513 2.041 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001086119356 802215791 /nfs/dbraw/zinc/21/57/91/802215791.db2.gz KPGCEONHOMRXFX-QXSJWSMHSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086119356 802215799 /nfs/dbraw/zinc/21/57/99/802215799.db2.gz KPGCEONHOMRXFX-QXSJWSMHSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623877 802291636 /nfs/dbraw/zinc/29/16/36/802291636.db2.gz RTFPMAAPSYQNMD-IXDOHACOSA-N 1 3 339.911 2.250 20 30 EEEDHO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623877 802291641 /nfs/dbraw/zinc/29/16/41/802291641.db2.gz RTFPMAAPSYQNMD-IXDOHACOSA-N 1 3 339.911 2.250 20 30 EEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109359285 805358189 /nfs/dbraw/zinc/35/81/89/805358189.db2.gz FPGVLXJGHCAMKZ-NCOADZHNSA-N 1 3 325.472 2.354 20 30 EEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109359285 805358196 /nfs/dbraw/zinc/35/81/96/805358196.db2.gz FPGVLXJGHCAMKZ-NCOADZHNSA-N 1 3 325.472 2.354 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)N(C)C ZINC001436830864 1088441418 /nfs/dbraw/zinc/44/14/18/1088441418.db2.gz AMSIRKRBXASAFA-OALUTQOASA-N 1 3 342.487 2.129 20 30 EEEDHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)C1 ZINC001440339832 1093486911 /nfs/dbraw/zinc/48/69/11/1093486911.db2.gz NZBAZDYIRKJUTL-CQSZACIVSA-N 1 3 346.500 2.090 20 30 EEEDHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)CC1 ZINC001480561911 1100403598 /nfs/dbraw/zinc/40/35/98/1100403598.db2.gz LIYHPFONIVQSLC-CQSZACIVSA-N 1 3 348.516 2.334 20 30 EEEDHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000554637355 318570233 /nfs/dbraw/zinc/57/02/33/318570233.db2.gz OXJZSTRHNSOLLH-IBGZPJMESA-N 1 3 339.439 2.149 20 30 EEEDHO COc1ccc(CN2CCC(C[NH+]=C(N(C)C)N(C)C)CC2)cc1 ZINC000261999205 463921229 /nfs/dbraw/zinc/92/12/29/463921229.db2.gz OXNNMAPXWIAOCM-UHFFFAOYSA-N 1 3 332.492 2.386 20 30 EEEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000280745251 464242935 /nfs/dbraw/zinc/24/29/35/464242935.db2.gz HNHQWOSPWHQFTI-JTDSTZFVSA-N 1 3 338.455 2.477 20 30 EEEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000280745251 464242944 /nfs/dbraw/zinc/24/29/44/464242944.db2.gz HNHQWOSPWHQFTI-JTDSTZFVSA-N 1 3 338.455 2.477 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677267 464520620 /nfs/dbraw/zinc/52/06/20/464520620.db2.gz IEXSWCFECOXICN-FUHWJXTLSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000181677267 464520627 /nfs/dbraw/zinc/52/06/27/464520627.db2.gz IEXSWCFECOXICN-FUHWJXTLSA-N 1 3 331.504 2.101 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(F)(F)F)cs1 ZINC000267391218 464930350 /nfs/dbraw/zinc/93/03/50/464930350.db2.gz CVONZUXVLAWVTB-VIFPVBQESA-N 1 3 335.399 2.051 20 30 EEEDHO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329731025 465418941 /nfs/dbraw/zinc/41/89/41/465418941.db2.gz IBWKDIWNSAYVDI-HUUCEWRRSA-N 1 3 331.464 2.131 20 30 EEEDHO CCOC(=O)C1([C@@H](C)NCc2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000591570847 468484568 /nfs/dbraw/zinc/48/45/68/468484568.db2.gz WHJOOCREEONNNP-CYBMUJFWSA-N 1 3 333.407 2.108 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])C(C)C ZINC000417068572 466770183 /nfs/dbraw/zinc/77/01/83/466770183.db2.gz SLAJJLWIDHVPAK-OKZBNKHCSA-N 1 3 336.524 2.454 20 30 EEEDHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424152071 466991587 /nfs/dbraw/zinc/99/15/87/466991587.db2.gz IBKZRIQVUNICJG-NXHRZFHOSA-N 1 3 328.460 2.177 20 30 EEEDHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424152071 466991591 /nfs/dbraw/zinc/99/15/91/466991591.db2.gz IBKZRIQVUNICJG-NXHRZFHOSA-N 1 3 328.460 2.177 20 30 EEEDHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)N1CCCCC1 ZINC000591760400 468516439 /nfs/dbraw/zinc/51/64/39/468516439.db2.gz AFBOMAZVAIWZMX-PKOBYXMFSA-N 1 3 345.487 2.346 20 30 EEEDHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598259992 468809314 /nfs/dbraw/zinc/80/93/14/468809314.db2.gz IFADVMTZDXXMPF-VQIMIIECSA-N 1 3 338.455 2.477 20 30 EEEDHO CCN1CCN(CCCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602511377 469344632 /nfs/dbraw/zinc/34/46/32/469344632.db2.gz QVWMZNAXTHABTQ-SFHVURJKSA-N 1 3 336.524 2.093 20 30 EEEDHO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000602530170 469351918 /nfs/dbraw/zinc/35/19/18/469351918.db2.gz DZUWCCITVJGXML-KRWDZBQOSA-N 1 3 348.535 2.234 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659436871 471626267 /nfs/dbraw/zinc/62/62/67/471626267.db2.gz SLAJJLWIDHVPAK-SQNIBIBYSA-N 1 3 336.524 2.454 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)cs1 ZINC000104174011 529101652 /nfs/dbraw/zinc/10/16/52/529101652.db2.gz KIRDHFPNXCODBL-NSHDSACASA-N 1 3 345.310 2.399 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)CC1 ZINC000995227325 782174300 /nfs/dbraw/zinc/17/43/00/782174300.db2.gz GCFUHRQAUBREAE-MJGOQNOKSA-N 1 3 331.504 2.006 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112167472 782174837 /nfs/dbraw/zinc/17/48/37/782174837.db2.gz QCLBHVXTTWKMKC-MCIONIFRSA-N 1 3 335.414 2.272 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC(=C)C)CC1 ZINC000969155529 674643098 /nfs/dbraw/zinc/64/30/98/674643098.db2.gz BEMMLFJFVWXMAV-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(=C)C)CC1 ZINC000969155529 674643099 /nfs/dbraw/zinc/64/30/99/674643099.db2.gz BEMMLFJFVWXMAV-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000970925899 676245847 /nfs/dbraw/zinc/24/58/47/676245847.db2.gz SLKLCHIKSDIOPT-QGZVFWFLSA-N 1 3 343.515 2.269 20 30 EEEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001025527488 682956763 /nfs/dbraw/zinc/95/67/63/682956763.db2.gz HSKVUWDIFVLWQQ-PXNSSMCTSA-N 1 3 341.499 2.254 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001025630814 683168485 /nfs/dbraw/zinc/16/84/85/683168485.db2.gz WSLBGJWGIAFVOT-PKOBYXMFSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC=C)C2)CC1 ZINC001025630814 683168488 /nfs/dbraw/zinc/16/84/88/683168488.db2.gz WSLBGJWGIAFVOT-PKOBYXMFSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040099 686063587 /nfs/dbraw/zinc/06/35/87/686063587.db2.gz PCPAIPWKVHNAMS-DNVCBOLYSA-N 1 3 337.483 2.049 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975040099 686063593 /nfs/dbraw/zinc/06/35/93/686063593.db2.gz PCPAIPWKVHNAMS-DNVCBOLYSA-N 1 3 337.483 2.049 20 30 EEEDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988966341 691333129 /nfs/dbraw/zinc/33/31/29/691333129.db2.gz LEKXCCQLULIFHX-YJBOKZPZSA-N 1 3 340.471 2.122 20 30 EEEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001088430297 1186867020 /nfs/dbraw/zinc/86/70/20/1186867020.db2.gz LSPNXOAMYYWIAS-GOSISDBHSA-N 1 3 327.472 2.356 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CN1CC[C@@H](C)C1)CCO2 ZINC001105481897 1188098258 /nfs/dbraw/zinc/09/82/58/1188098258.db2.gz KNKNHAATCJPZCP-PGYGNJIDSA-N 1 3 349.519 2.034 20 30 EEEDHO C#CCCN1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034010651 1195629937 /nfs/dbraw/zinc/62/99/37/1195629937.db2.gz BQABKGZYYYTKSP-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(C)CN1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140549 1199349356 /nfs/dbraw/zinc/34/93/56/1199349356.db2.gz IWRBZYLAMPCUCL-IAGOWNOFSA-N 1 3 330.476 2.453 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802370 1208723320 /nfs/dbraw/zinc/72/33/20/1208723320.db2.gz YJFCGBZDBLHTNR-LPHOPBHVSA-N 1 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1217550536 /nfs/dbraw/zinc/55/05/36/1217550536.db2.gz CDDVEHMHRSCMRL-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963356210 1217550540 /nfs/dbraw/zinc/55/05/40/1217550540.db2.gz CDDVEHMHRSCMRL-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001009631418 1223310681 /nfs/dbraw/zinc/31/06/81/1223310681.db2.gz YERTZSSJSCSDGW-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001009631418 1223310683 /nfs/dbraw/zinc/31/06/83/1223310683.db2.gz YERTZSSJSCSDGW-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180712 1230407305 /nfs/dbraw/zinc/40/73/05/1230407305.db2.gz VHADBARPGTZHPF-MOPGFXCFSA-N 1 3 333.520 2.156 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180712 1230407308 /nfs/dbraw/zinc/40/73/08/1230407308.db2.gz VHADBARPGTZHPF-MOPGFXCFSA-N 1 3 333.520 2.156 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699942 1231340196 /nfs/dbraw/zinc/34/01/96/1231340196.db2.gz FNTDYSGROFLSJK-RTBURBONSA-N 1 3 343.515 2.199 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699942 1231340198 /nfs/dbraw/zinc/34/01/98/1231340198.db2.gz FNTDYSGROFLSJK-RTBURBONSA-N 1 3 343.515 2.199 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723885 1231661947 /nfs/dbraw/zinc/66/19/47/1231661947.db2.gz LWFIKDGZKYXVCU-QUCCMNQESA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723885 1231661949 /nfs/dbraw/zinc/66/19/49/1231661949.db2.gz LWFIKDGZKYXVCU-QUCCMNQESA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001045966168 1234245279 /nfs/dbraw/zinc/24/52/79/1234245279.db2.gz QCCMJKHREQKGGV-NRFANRHFSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001045966168 1234245281 /nfs/dbraw/zinc/24/52/81/1234245281.db2.gz QCCMJKHREQKGGV-NRFANRHFSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)CC1 ZINC001047242022 1235729697 /nfs/dbraw/zinc/72/96/97/1235729697.db2.gz AJHZCXDLWSZECQ-RTBURBONSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047256362 1235759564 /nfs/dbraw/zinc/75/95/64/1235759564.db2.gz JQKKPRBGXQWBTR-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047256364 1235759973 /nfs/dbraw/zinc/75/99/73/1235759973.db2.gz JQKKPRBGXQWBTR-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)CC1 ZINC001048590711 1238043714 /nfs/dbraw/zinc/04/37/14/1238043714.db2.gz WCHXYOFDHLXENZ-FNLKRUPLSA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001048590711 1238043725 /nfs/dbraw/zinc/04/37/25/1238043725.db2.gz WCHXYOFDHLXENZ-FNLKRUPLSA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](C)CC)CC2)CC1 ZINC001052954727 1245547119 /nfs/dbraw/zinc/54/71/19/1245547119.db2.gz QWCKIVOQBYTYHO-MJGOQNOKSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001052954727 1245547126 /nfs/dbraw/zinc/54/71/26/1245547126.db2.gz QWCKIVOQBYTYHO-MJGOQNOKSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549098 1245953883 /nfs/dbraw/zinc/95/38/83/1245953883.db2.gz AMBHJUPSOUZIDN-SFHVURJKSA-N 1 3 335.536 2.450 20 30 EEEDHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001025088384 1276700768 /nfs/dbraw/zinc/70/07/68/1276700768.db2.gz WNQGEQYVFQCLRD-MOPGFXCFSA-N 1 3 342.487 2.369 20 30 EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CCCCCC)CCCO1 ZINC001201669045 1289707946 /nfs/dbraw/zinc/70/79/46/1289707946.db2.gz OKCOAXYDPQHMSF-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCCC)C2)CC1 ZINC001490578990 1291473963 /nfs/dbraw/zinc/47/39/63/1291473963.db2.gz AIJZFNRIQOIFEG-LJQANCHMSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCCC)C2)CC1 ZINC001490578990 1291473967 /nfs/dbraw/zinc/47/39/67/1291473967.db2.gz AIJZFNRIQOIFEG-LJQANCHMSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001211307335 1295811527 /nfs/dbraw/zinc/81/15/27/1295811527.db2.gz UENPINICLLRUHH-WAQVGJNASA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@H]2C)CC1 ZINC001211307335 1295811535 /nfs/dbraw/zinc/81/15/35/1295811535.db2.gz UENPINICLLRUHH-WAQVGJNASA-N 1 3 331.504 2.124 20 30 EEEDHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166248 1297046187 /nfs/dbraw/zinc/04/61/87/1297046187.db2.gz UTXLVGIWHMEZIJ-FUHWJXTLSA-N 1 3 345.491 2.092 20 30 EEEDHO CCOCCC[N@H+]1CC[C@@H](NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166248 1297046195 /nfs/dbraw/zinc/04/61/95/1297046195.db2.gz UTXLVGIWHMEZIJ-FUHWJXTLSA-N 1 3 345.491 2.092 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC/C=C/c2ccccc2)CC1 ZINC001152329914 1316657485 /nfs/dbraw/zinc/65/74/85/1316657485.db2.gz FBHUEIPZGCDHJC-UXBLZVDNSA-N 1 3 339.483 2.141 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2ccccc2C(C)C)CC1 ZINC001152330563 1316657534 /nfs/dbraw/zinc/65/75/34/1316657534.db2.gz RJAKFJCNIMHUBB-UHFFFAOYSA-N 1 3 341.499 2.361 20 30 EEEDHO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155254870 1317525035 /nfs/dbraw/zinc/52/50/35/1317525035.db2.gz HEQAQYBMRRJYLX-IAGOWNOFSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1 ZINC001155254870 1317525043 /nfs/dbraw/zinc/52/50/43/1317525043.db2.gz HEQAQYBMRRJYLX-IAGOWNOFSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836333 1320970607 /nfs/dbraw/zinc/97/06/07/1320970607.db2.gz GHJHEQBBJVELLG-IBGZPJMESA-N 1 3 331.504 2.420 20 30 EEEDHO CN(CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1)CC(C)(C)C ZINC001166744431 1321779806 /nfs/dbraw/zinc/77/98/06/1321779806.db2.gz WODLNVBNZAMQRY-UHFFFAOYSA-N 1 3 336.505 2.194 20 30 EEEDHO CC[C@H](C(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001205515765 1323172168 /nfs/dbraw/zinc/17/21/68/1323172168.db2.gz CYEICZZABBGUTD-HXUWFJFHSA-N 1 3 341.499 2.207 20 30 EEEDHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492035476 1330459957 /nfs/dbraw/zinc/45/99/57/1330459957.db2.gz ZEHACGXHWOSYSV-AWEZNQCLSA-N 1 3 346.450 2.166 20 30 EEEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001340190207 1337134697 /nfs/dbraw/zinc/13/46/97/1337134697.db2.gz GYHWETDDZJZLAQ-RTBURBONSA-N 1 3 329.488 2.351 20 30 EEEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001340190207 1337134701 /nfs/dbraw/zinc/13/47/01/1337134701.db2.gz GYHWETDDZJZLAQ-RTBURBONSA-N 1 3 329.488 2.351 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001567024035 1342682345 /nfs/dbraw/zinc/68/23/45/1342682345.db2.gz FPJVLYHWRFLCJG-YJBOKZPZSA-N 1 3 349.906 2.372 20 30 EEEDHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001371175962 1375280040 /nfs/dbraw/zinc/28/00/40/1375280040.db2.gz DLNAMAYRDUELCE-CQSZACIVSA-N 1 3 348.516 2.479 20 30 EEEDHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001371175962 1375280049 /nfs/dbraw/zinc/28/00/49/1375280049.db2.gz DLNAMAYRDUELCE-CQSZACIVSA-N 1 3 348.516 2.479 20 30 EEEDHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001376524543 1378573782 /nfs/dbraw/zinc/57/37/82/1378573782.db2.gz CWWNLFRJKGCSBZ-LJQANCHMSA-N 1 3 342.487 2.228 20 30 EEEDHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001376703383 1378690208 /nfs/dbraw/zinc/69/02/08/1378690208.db2.gz BFSFFFXCXHTWKU-LJQANCHMSA-N 1 3 342.487 2.371 20 30 EEEDHO C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001379805907 1380899790 /nfs/dbraw/zinc/89/97/90/1380899790.db2.gz WLYUQWXTEXPJIH-QGZVFWFLSA-N 1 3 342.487 2.371 20 30 EEEDHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001399342216 1394989652 /nfs/dbraw/zinc/98/96/52/1394989652.db2.gz QQQKQLQJRVFYLW-CQSZACIVSA-N 1 3 346.450 2.166 20 30 EEEDHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)Cc1cccc(C#N)c1 ZINC001403187503 1398467194 /nfs/dbraw/zinc/46/71/94/1398467194.db2.gz HWTYHKXEKQIJJN-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCc1ccc(C#N)s1 ZINC001755118623 1407129721 /nfs/dbraw/zinc/12/97/21/1407129721.db2.gz JKXYSJYAEZGHGI-YOEHRIQHSA-N 1 3 348.516 2.288 20 30 EEEDHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCc1ccc(C#N)s1 ZINC001425665433 1401715521 /nfs/dbraw/zinc/71/55/21/1401715521.db2.gz UZLUXJPNPMQGHQ-CQSZACIVSA-N 1 3 348.516 2.288 20 30 EEEDHO C#CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001724978645 1405777016 /nfs/dbraw/zinc/77/70/16/1405777016.db2.gz YGYGYZAXEWHFQZ-LJQANCHMSA-N 1 3 341.499 2.110 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)Cc2ccsc2)CC1 ZINC001752120789 1406216281 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C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086620111 810657265 /nfs/dbraw/zinc/65/72/65/810657265.db2.gz YRPCADLKBVLOEA-YZGWKJHDSA-N 1 3 341.499 2.489 20 30 EEEDHO C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001130423794 811618426 /nfs/dbraw/zinc/61/84/26/811618426.db2.gz WMBPSVPGARPNMB-RDJZCZTQSA-N 1 3 347.507 2.122 20 30 EEEDHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1cccc(C#N)c1 ZINC001448146147 1104105398 /nfs/dbraw/zinc/10/53/98/1104105398.db2.gz JQVLAJBWVCNISU-QGZVFWFLSA-N 1 3 342.487 2.371 20 30 EEEDHO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CN(C)C ZINC000291753920 238178208 /nfs/dbraw/zinc/17/82/08/238178208.db2.gz QNMDBPFPWRNUNZ-OAHLLOKOSA-N 1 3 326.448 2.146 20 30 EEEDHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280461327 270016783 /nfs/dbraw/zinc/01/67/83/270016783.db2.gz SKLXHTQTKJEDMD-OALUTQOASA-N 1 3 338.455 2.431 20 30 EEEDHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280461327 270016784 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CC[NH+](CC)CCO[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000350249957 466438572 /nfs/dbraw/zinc/43/85/72/466438572.db2.gz JOCLCPVVAWNPJN-LJQANCHMSA-N 1 3 331.460 2.370 20 30 EEEDHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21 ZINC000424144249 466989221 /nfs/dbraw/zinc/98/92/21/466989221.db2.gz KVZJLZZVDUDTAQ-INIZCTEOSA-N 1 3 327.432 2.163 20 30 EEEDHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2C#N)c1 ZINC000600720416 468633788 /nfs/dbraw/zinc/63/37/88/468633788.db2.gz YJMPESBMHQADKO-IBGZPJMESA-N 1 3 339.439 2.149 20 30 EEEDHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972329761 678552393 /nfs/dbraw/zinc/55/23/93/678552393.db2.gz BBBPVYQZYONQLW-VQIMIIECSA-N 1 3 340.471 2.075 20 30 EEEDHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972329761 678552398 /nfs/dbraw/zinc/55/23/98/678552398.db2.gz BBBPVYQZYONQLW-VQIMIIECSA-N 1 3 340.471 2.075 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@]2(C)C1 ZINC000982832376 681350949 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2.041 20 30 EEEDHO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001482342469 1185450628 /nfs/dbraw/zinc/45/06/28/1185450628.db2.gz BWEHWTNZFJTXGF-KRWDZBQOSA-N 1 3 342.487 2.227 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001112198488 1186837950 /nfs/dbraw/zinc/83/79/50/1186837950.db2.gz XWFHDPLWCDSGJC-ZIAGYGMSSA-N 1 3 335.414 2.273 20 30 EEEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812212 1188556001 /nfs/dbraw/zinc/55/60/01/1188556001.db2.gz RTBBIBSPQNCKJI-NEWSRXKRSA-N 1 3 331.504 2.386 20 30 EEEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812212 1188556002 /nfs/dbraw/zinc/55/60/02/1188556002.db2.gz RTBBIBSPQNCKJI-NEWSRXKRSA-N 1 3 331.504 2.386 20 30 EEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241150 1195991468 /nfs/dbraw/zinc/99/14/68/1195991468.db2.gz PBYFHNQHPROMQQ-PKOBYXMFSA-N 1 3 349.519 2.177 20 30 EEEDHO C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241150 1195991470 /nfs/dbraw/zinc/99/14/70/1195991470.db2.gz PBYFHNQHPROMQQ-PKOBYXMFSA-N 1 3 349.519 2.177 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398955 1196190508 /nfs/dbraw/zinc/19/05/08/1196190508.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398955 1196190510 /nfs/dbraw/zinc/19/05/10/1196190510.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398955 1196190514 /nfs/dbraw/zinc/19/05/14/1196190514.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398955 1196190516 /nfs/dbraw/zinc/19/05/16/1196190516.db2.gz PRVZYKYONIODRD-LPHOPBHVSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(C)C3)CC2)CC1 ZINC001034795598 1196732696 /nfs/dbraw/zinc/73/26/96/1196732696.db2.gz LHMVNLCYHGPQOH-NOKIBDOBSA-N 1 3 345.531 2.395 20 30 EEEDHO C=C(Br)CNC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C ZINC001411217653 1198927193 /nfs/dbraw/zinc/92/71/93/1198927193.db2.gz QHLXIBWINSKKGO-ZDUSSCGKSA-N 1 3 348.329 2.357 20 30 EEEDHO C=C(Br)CNC[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001411217653 1198927196 /nfs/dbraw/zinc/92/71/96/1198927196.db2.gz QHLXIBWINSKKGO-ZDUSSCGKSA-N 1 3 348.329 2.357 20 30 EEEDHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CCCCC#N)C2)C1=O ZINC001274043189 1204343738 /nfs/dbraw/zinc/34/37/38/1204343738.db2.gz MYJRGPNDKVVYNC-FQEVSTJZSA-N 1 3 340.471 2.232 20 30 EEEDHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274043189 1204343741 /nfs/dbraw/zinc/34/37/41/1204343741.db2.gz MYJRGPNDKVVYNC-FQEVSTJZSA-N 1 3 340.471 2.232 20 30 EEEDHO N#CCCCN1CC[C@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274266638 1204979698 /nfs/dbraw/zinc/97/96/98/1204979698.db2.gz ADFPJEFKJHWREM-IBGZPJMESA-N 1 3 337.427 2.291 20 30 EEEDHO N#CCCCN1CC[C@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274266638 1204979700 /nfs/dbraw/zinc/97/97/00/1204979700.db2.gz ADFPJEFKJHWREM-IBGZPJMESA-N 1 3 337.427 2.291 20 30 EEEDHO COCCC[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274939336 1205213975 /nfs/dbraw/zinc/21/39/75/1205213975.db2.gz HMGOLXIUYOQBAT-HDICACEKSA-N 1 3 330.476 2.077 20 30 EEEDHO COCCC[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274939336 1205213978 /nfs/dbraw/zinc/21/39/78/1205213978.db2.gz HMGOLXIUYOQBAT-HDICACEKSA-N 1 3 330.476 2.077 20 30 EEEDHO N#Cc1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001275290680 1205299803 /nfs/dbraw/zinc/29/98/03/1205299803.db2.gz WUIZZPWFUGRVFA-UHFFFAOYSA-N 1 3 335.455 2.353 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1Cl ZINC000305062769 1216138961 /nfs/dbraw/zinc/13/89/61/1216138961.db2.gz KGKACEIZHKKGQL-XJKSGUPXSA-N 1 3 338.883 2.416 20 30 EEEDHO C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326085 1221210693 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CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228609 1230461503 /nfs/dbraw/zinc/46/15/03/1230461503.db2.gz GLUTZWYYNUEIDS-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228609 1230461506 /nfs/dbraw/zinc/46/15/06/1230461506.db2.gz GLUTZWYYNUEIDS-OALUTQOASA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040277256 1231148568 /nfs/dbraw/zinc/14/85/68/1231148568.db2.gz ZJOHMDYJAOLRKV-TZIWHRDSSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040277256 1231148569 /nfs/dbraw/zinc/14/85/69/1231148569.db2.gz ZJOHMDYJAOLRKV-TZIWHRDSSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041724349 1231662914 /nfs/dbraw/zinc/66/29/14/1231662914.db2.gz VLRLWSSGJAMNOZ-AZUAARDMSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001041724349 1231662915 /nfs/dbraw/zinc/66/29/15/1231662915.db2.gz VLRLWSSGJAMNOZ-AZUAARDMSA-N 1 3 331.504 2.197 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001045089247 1233495227 /nfs/dbraw/zinc/49/52/27/1233495227.db2.gz DQRLPFQQYSYQKC-FUHWJXTLSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001000336231 1240181909 /nfs/dbraw/zinc/18/19/09/1240181909.db2.gz ZMHJUARZTBVBJL-UHFFFAOYSA-N 1 3 343.515 2.102 20 30 EEEDHO C=CCN(CC=C)C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794352 1241994085 /nfs/dbraw/zinc/99/40/85/1241994085.db2.gz RHWAVGXWWJWNJQ-UHFFFAOYSA-N 1 3 327.472 2.180 20 30 EEEDHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049791091 1242195063 /nfs/dbraw/zinc/19/50/63/1242195063.db2.gz PQRLKMJNOVMJET-VQTJNVASSA-N 1 3 339.483 2.450 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701276 1244784438 /nfs/dbraw/zinc/78/44/38/1244784438.db2.gz 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CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953651 1101651091 /nfs/dbraw/zinc/65/10/91/1101651091.db2.gz SVODNXMEYHETEP-LSDHHAIUSA-N 1 3 348.516 2.288 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001507293176 1115177435 /nfs/dbraw/zinc/17/74/35/1115177435.db2.gz PHKGVYKMFULASP-KBXCAEBGSA-N 1 3 346.450 2.118 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000050797909 214071307 /nfs/dbraw/zinc/07/13/07/214071307.db2.gz YPTVODGJLPGZFU-UHFFFAOYSA-N 1 3 340.471 2.041 20 30 EEEDHO COc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N ZINC000564547444 319090381 /nfs/dbraw/zinc/09/03/81/319090381.db2.gz IQZCLRPRSSKYLO-PKOBYXMFSA-N 1 3 329.444 2.285 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000119954931 462945018 /nfs/dbraw/zinc/94/50/18/462945018.db2.gz XBMWEIWSPOUHSJ-QGZVFWFLSA-N 1 3 336.524 2.304 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000119954931 462945023 /nfs/dbraw/zinc/94/50/23/462945023.db2.gz XBMWEIWSPOUHSJ-QGZVFWFLSA-N 1 3 336.524 2.304 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448640 463293262 /nfs/dbraw/zinc/29/32/62/463293262.db2.gz FCJYMSWXSYFYPJ-YLJYHZDGSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448640 463293264 /nfs/dbraw/zinc/29/32/64/463293264.db2.gz FCJYMSWXSYFYPJ-YLJYHZDGSA-N 1 3 339.483 2.111 20 30 EEEDHO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261937457 463905914 /nfs/dbraw/zinc/90/59/14/463905914.db2.gz CSXZXGBFPUVKBN-NVXWUHKLSA-N 1 3 342.491 2.036 20 30 EEEDHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605891 464391567 /nfs/dbraw/zinc/39/15/67/464391567.db2.gz HEZWQDTWUATXTC-GOSISDBHSA-N 1 3 331.460 2.104 20 30 EEEDHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605891 464391571 /nfs/dbraw/zinc/39/15/71/464391571.db2.gz HEZWQDTWUATXTC-GOSISDBHSA-N 1 3 331.460 2.104 20 30 EEEDHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380221 466733471 /nfs/dbraw/zinc/73/34/71/466733471.db2.gz HCGGSUZKQXLOAZ-IUODEOHRSA-N 1 3 326.366 2.045 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000417527174 466877125 /nfs/dbraw/zinc/87/71/25/466877125.db2.gz MTVLYCMCGHQVFU-GOSISDBHSA-N 1 3 330.476 2.198 20 30 EEEDHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)CCCC#N)cc21 ZINC000424144252 466990065 /nfs/dbraw/zinc/99/00/65/466990065.db2.gz KVZJLZZVDUDTAQ-MRXNPFEDSA-N 1 3 327.432 2.163 20 30 EEEDHO N#CCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000424157146 466992909 /nfs/dbraw/zinc/99/29/09/466992909.db2.gz PJDQPLGRFZYPLC-MRXNPFEDSA-N 1 3 334.489 2.097 20 30 EEEDHO N#CC1(C[C@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000528509516 467691650 /nfs/dbraw/zinc/69/16/50/467691650.db2.gz PWBVPLCJNPORMW-ZCNNSNEGSA-N 1 3 339.483 2.495 20 30 EEEDHO N#CC1(C[C@H](O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000528509516 467691652 /nfs/dbraw/zinc/69/16/52/467691652.db2.gz PWBVPLCJNPORMW-ZCNNSNEGSA-N 1 3 339.483 2.495 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488801918 468105893 /nfs/dbraw/zinc/10/58/93/468105893.db2.gz QIHFBELFBBBEFR-SOLBZPMBSA-N 1 3 334.508 2.009 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000488801918 468105897 /nfs/dbraw/zinc/10/58/97/468105897.db2.gz QIHFBELFBBBEFR-SOLBZPMBSA-N 1 3 334.508 2.009 20 30 EEEDHO C=CCn1cccc1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000488985618 468114631 /nfs/dbraw/zinc/11/46/31/468114631.db2.gz RIRWSSCPJHIHQL-KRWDZBQOSA-N 1 3 332.492 2.162 20 30 EEEDHO C=CCn1cccc1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000488985618 468114634 /nfs/dbraw/zinc/11/46/34/468114634.db2.gz RIRWSSCPJHIHQL-KRWDZBQOSA-N 1 3 332.492 2.162 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022713818 678307399 /nfs/dbraw/zinc/30/73/99/678307399.db2.gz MWAGFVVHBQOGQX-DVOMOZLQSA-N 1 3 331.863 2.188 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001022713818 678307401 /nfs/dbraw/zinc/30/74/01/678307401.db2.gz MWAGFVVHBQOGQX-DVOMOZLQSA-N 1 3 331.863 2.188 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCC(C)C)CC1 ZINC001024812429 681465577 /nfs/dbraw/zinc/46/55/77/681465577.db2.gz OSTMLZFHKNCRAT-LJQANCHMSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)C)CC1 ZINC001024812429 681465580 /nfs/dbraw/zinc/46/55/80/681465580.db2.gz OSTMLZFHKNCRAT-LJQANCHMSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241452 682300478 /nfs/dbraw/zinc/30/04/78/682300478.db2.gz XNVGQBOGCOBXPX-QZTJIDSGSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241452 682300482 /nfs/dbraw/zinc/30/04/82/682300482.db2.gz XNVGQBOGCOBXPX-QZTJIDSGSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451522 682785953 /nfs/dbraw/zinc/78/59/53/682785953.db2.gz HRHSLUNXAUAINL-ZWKOTPCHSA-N 1 3 331.504 2.102 20 30 EEEDHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000985655956 687404558 /nfs/dbraw/zinc/40/45/58/687404558.db2.gz KKTGCSSITXRXBN-IBGZPJMESA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000985655956 687404562 /nfs/dbraw/zinc/40/45/62/687404562.db2.gz KKTGCSSITXRXBN-IBGZPJMESA-N 1 3 342.487 2.321 20 30 EEEDHO CO[C@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262690354 687964536 /nfs/dbraw/zinc/96/45/36/687964536.db2.gz CBOJYRAHZICCFI-MSOLQXFVSA-N 1 3 344.503 2.369 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(CC)CC)C[C@H]32)CC1 ZINC000979088868 694170723 /nfs/dbraw/zinc/17/07/23/694170723.db2.gz NPYUFHIJVKWDHS-OWZKRDHZSA-N 1 3 345.531 2.062 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(CC)CC)C[C@H]32)CC1 ZINC000979088868 694170725 /nfs/dbraw/zinc/17/07/25/694170725.db2.gz NPYUFHIJVKWDHS-OWZKRDHZSA-N 1 3 345.531 2.062 20 30 EEEDHO CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](N2CCCCC2)C1 ZINC000262759045 688380438 /nfs/dbraw/zinc/38/04/38/688380438.db2.gz FKROGDGHQBJUSK-KRWDZBQOSA-N 1 3 347.507 2.360 20 30 EEEDHO C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833791 688989198 /nfs/dbraw/zinc/98/91/98/688989198.db2.gz ZSCBTKKTUBVSAY-DYVFJYSZSA-N 1 3 346.500 2.041 20 30 EEEDHO C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833806 688989336 /nfs/dbraw/zinc/98/93/36/688989336.db2.gz ZSCBTKKTUBVSAY-GUYCJALGSA-N 1 3 346.500 2.041 20 30 EEEDHO C#CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664065 693170862 /nfs/dbraw/zinc/17/08/62/693170862.db2.gz SSQILJFQKVBRAS-HFSMHLIXSA-N 1 3 343.515 2.387 20 30 EEEDHO C#CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CCC[C@H]12 ZINC000990664065 693170865 /nfs/dbraw/zinc/17/08/65/693170865.db2.gz SSQILJFQKVBRAS-HFSMHLIXSA-N 1 3 343.515 2.387 20 30 EEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365964 1194481122 /nfs/dbraw/zinc/48/11/22/1194481122.db2.gz RWSGHTQTZIAXRN-MOPGFXCFSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365964 1194481124 /nfs/dbraw/zinc/48/11/24/1194481124.db2.gz RWSGHTQTZIAXRN-MOPGFXCFSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)CC1 ZINC001034538858 1196362318 /nfs/dbraw/zinc/36/23/18/1196362318.db2.gz SRGMIFJIVZQKQL-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)CC1 ZINC001034538858 1196362323 /nfs/dbraw/zinc/36/23/23/1196362323.db2.gz SRGMIFJIVZQKQL-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN(C)C1CCC1 ZINC001134613937 1199690643 /nfs/dbraw/zinc/69/06/43/1199690643.db2.gz YYGYXYQCQFHXHS-JKSUJKDBSA-N 1 3 342.487 2.415 20 30 EEEDHO [NH2+]=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1CCCCCC1 ZINC000126064684 1199694012 /nfs/dbraw/zinc/69/40/12/1199694012.db2.gz OYJHUZJHTKCENA-UHFFFAOYSA-N 1 3 344.503 2.334 20 30 EEEDHO CCc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCN2CC)N(C)C)cc1 ZINC000303783205 1213905487 /nfs/dbraw/zinc/90/54/87/1213905487.db2.gz NZVBFRJUKKQODD-RTBURBONSA-N 1 3 345.535 2.240 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cc1ccc(OC)cc1 ZINC000305701460 1216989669 /nfs/dbraw/zinc/98/96/69/1216989669.db2.gz PRBTWUIBFSVIDS-RDJZCZTQSA-N 1 3 332.492 2.262 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961261134 1217116111 /nfs/dbraw/zinc/11/61/11/1217116111.db2.gz MTGCRFIOFDSYBF-WOJBJXKFSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961261134 1217116113 /nfs/dbraw/zinc/11/61/13/1217116113.db2.gz MTGCRFIOFDSYBF-WOJBJXKFSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968680643 1221486756 /nfs/dbraw/zinc/48/67/56/1221486756.db2.gz CEJBLVXSVMGUPZ-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001009626653 1223308282 /nfs/dbraw/zinc/30/82/82/1223308282.db2.gz JVNNQBJJJFTYHR-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001009626653 1223308286 /nfs/dbraw/zinc/30/82/86/1223308286.db2.gz JVNNQBJJJFTYHR-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)CC1 ZINC001009631417 1223310637 /nfs/dbraw/zinc/31/06/37/1223310637.db2.gz YERTZSSJSCSDGW-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001009631417 1223310640 /nfs/dbraw/zinc/31/06/40/1223310640.db2.gz YERTZSSJSCSDGW-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001039041397 1230257140 /nfs/dbraw/zinc/25/71/40/1230257140.db2.gz CGTIVHVUOULLSG-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001039041397 1230257145 /nfs/dbraw/zinc/25/71/45/1230257145.db2.gz CGTIVHVUOULLSG-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387894 1231200236 /nfs/dbraw/zinc/20/02/36/1231200236.db2.gz GGAONEQDLCKVFI-FQEVSTJZSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387894 1231200238 /nfs/dbraw/zinc/20/02/38/1231200238.db2.gz GGAONEQDLCKVFI-FQEVSTJZSA-N 1 3 331.504 2.056 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044797132 1233273523 /nfs/dbraw/zinc/27/35/23/1233273523.db2.gz PADHULIMQIXRLK-CVEARBPZSA-N 1 3 327.900 2.440 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001045961899 1234238339 /nfs/dbraw/zinc/23/83/39/1234238339.db2.gz UHTHFCBGVJAFRH-ZJOUEHCJSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001045961899 1234238341 /nfs/dbraw/zinc/23/83/41/1234238341.db2.gz UHTHFCBGVJAFRH-ZJOUEHCJSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001045970195 1234253325 /nfs/dbraw/zinc/25/33/25/1234253325.db2.gz CMNUEBNDOCQSPO-NRFANRHFSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047226773 1235701505 /nfs/dbraw/zinc/70/15/05/1235701505.db2.gz XHYHFWUGZQIJTA-MOPGFXCFSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047255592 1235758795 /nfs/dbraw/zinc/75/87/95/1235758795.db2.gz BGASKGQXHJISOT-MJGOQNOKSA-N 1 3 333.520 2.465 20 30 EEEDHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047255813 1235758802 /nfs/dbraw/zinc/75/88/02/1235758802.db2.gz DONYQDCQAQYGOM-AZUAARDMSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001047265973 1235780175 /nfs/dbraw/zinc/78/01/75/1235780175.db2.gz NATNIHCOXWHPCK-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO 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20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000304781405 1216105253 /nfs/dbraw/zinc/10/52/53/1216105253.db2.gz GGHYYSZWICFZHY-ZFWWWQNUSA-N 1 3 338.883 2.496 20 30 EEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961373059 1217162538 /nfs/dbraw/zinc/16/25/38/1217162538.db2.gz FWKLGQPOGHWDOD-RBUKOAKNSA-N 1 3 333.520 2.463 20 30 EEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961373059 1217162540 /nfs/dbraw/zinc/16/25/40/1217162540.db2.gz FWKLGQPOGHWDOD-RBUKOAKNSA-N 1 3 333.520 2.463 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CCF)C2)CC1 ZINC000963431613 1217625048 /nfs/dbraw/zinc/62/50/48/1217625048.db2.gz XRYPINWLZHMFQC-MOPGFXCFSA-N 1 3 349.494 2.004 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CCF)C2)CC1 ZINC000963431613 1217625053 /nfs/dbraw/zinc/62/50/53/1217625053.db2.gz XRYPINWLZHMFQC-MOPGFXCFSA-N 1 3 349.494 2.004 20 30 EEEDHO C#CCCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065298 1222600619 /nfs/dbraw/zinc/60/06/19/1222600619.db2.gz ZVIKFDGVCUQTAI-SFHVURJKSA-N 1 3 327.472 2.008 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019820336 1229362585 /nfs/dbraw/zinc/36/25/85/1229362585.db2.gz GQQLRBOFXUBTLY-RBUKOAKNSA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001040314634 1231165467 /nfs/dbraw/zinc/16/54/67/1231165467.db2.gz ULACPNREYOBVIC-TZIWHRDSSA-N 1 3 343.515 2.199 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744254 1233229749 /nfs/dbraw/zinc/22/97/49/1233229749.db2.gz OBPYXCOULOCWJI-GJZGRUSLSA-N 1 3 327.900 2.440 20 30 EEEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)CC1 ZINC001050727677 1244226464 /nfs/dbraw/zinc/22/64/64/1244226464.db2.gz JLAVRCIPETXEPM-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727677 1244226471 /nfs/dbraw/zinc/22/64/71/1244226471.db2.gz JLAVRCIPETXEPM-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954892 1245547973 /nfs/dbraw/zinc/54/79/73/1245547973.db2.gz VYFRVRJAIZUHLD-IBGZPJMESA-N 1 3 327.472 2.356 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052954892 1245547979 /nfs/dbraw/zinc/54/79/79/1245547979.db2.gz VYFRVRJAIZUHLD-IBGZPJMESA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895586 1254762845 /nfs/dbraw/zinc/76/28/45/1254762845.db2.gz AFYXVLOEFLEKIS-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)[C@@H]2C)C1 ZINC001074878451 1257186454 /nfs/dbraw/zinc/18/64/54/1257186454.db2.gz WCXPZEQQWIZZSY-ZQIUZPCESA-N 1 3 346.500 2.041 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001099252486 1258039440 /nfs/dbraw/zinc/03/94/40/1258039440.db2.gz NZGOMVXZVMRLNF-ZIAGYGMSSA-N 1 3 347.425 2.416 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099288586 1258064182 /nfs/dbraw/zinc/06/41/82/1258064182.db2.gz SRQACNKKRUHGKI-ZIAGYGMSSA-N 1 3 347.425 2.416 20 30 EEEDHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001100901994 1259414444 /nfs/dbraw/zinc/41/44/44/1259414444.db2.gz YYDKEIWOVMWMDA-UHFFFAOYSA-N 1 3 346.450 2.024 20 30 EEEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336950 1295827906 /nfs/dbraw/zinc/82/79/06/1295827906.db2.gz GZXHOXMUWNHMJY-VQIMIIECSA-N 1 3 345.487 2.001 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875107 1298732554 /nfs/dbraw/zinc/73/25/54/1298732554.db2.gz MUPZLXCTAGEBCE-BJLQDIEVSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098875107 1298732557 /nfs/dbraw/zinc/73/25/57/1298732557.db2.gz MUPZLXCTAGEBCE-BJLQDIEVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164948 1298944911 /nfs/dbraw/zinc/94/49/11/1298944911.db2.gz IDXLNENACUCNLN-KRWDZBQOSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)N1CCCC1 ZINC001099164948 1298944919 /nfs/dbraw/zinc/94/49/19/1298944919.db2.gz IDXLNENACUCNLN-KRWDZBQOSA-N 1 3 333.520 2.491 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C(F)(F)F ZINC001099345746 1299063936 /nfs/dbraw/zinc/06/39/36/1299063936.db2.gz RNKRKBKGFBIHKO-RBSFLKMASA-N 1 3 347.425 2.416 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H](C)F)CC1 ZINC001230251718 1303128251 /nfs/dbraw/zinc/12/82/51/1303128251.db2.gz GDCLKXWHZRPNEU-CGTJXYLNSA-N 1 3 337.483 2.097 20 30 EEEDHO C=C(C)CN(CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cccnc1 ZINC001230898692 1303532608 /nfs/dbraw/zinc/53/26/08/1303532608.db2.gz LVOWPTZEJPCWPQ-UHFFFAOYSA-N 1 3 342.487 2.062 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399121 1304524287 /nfs/dbraw/zinc/52/42/87/1304524287.db2.gz CVHPAVCDOYNHCY-JZXOWHBKSA-N 1 3 339.911 2.297 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCCCC=C)C[C@H]32)CC1 ZINC001115290024 1304908169 /nfs/dbraw/zinc/90/81/69/1304908169.db2.gz LYPGEQAMWLDNHM-PMOLBWCYSA-N 1 3 343.515 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCCCC=C)C[C@H]32)CC1 ZINC001115290024 1304908171 /nfs/dbraw/zinc/90/81/71/1304908171.db2.gz LYPGEQAMWLDNHM-PMOLBWCYSA-N 1 3 343.515 2.124 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001115539883 1305302635 /nfs/dbraw/zinc/30/26/35/1305302635.db2.gz RNJUFRTVLBKDAG-MRXNPFEDSA-N 1 3 339.911 2.489 20 30 EEEDHO C#CC[NH2+]C1(CNC(=O)c2ccccc2CN(C)C)CCCCC1 ZINC001120202633 1309382176 /nfs/dbraw/zinc/38/21/76/1309382176.db2.gz MJISTRFWDKIZMT-UHFFFAOYSA-N 1 3 327.472 2.404 20 30 EEEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246309715 1310278451 /nfs/dbraw/zinc/27/84/51/1310278451.db2.gz WMAVKWWIFLPLTR-QYZOEREBSA-N 1 3 345.487 2.296 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160866369 1320296159 /nfs/dbraw/zinc/29/61/59/1320296159.db2.gz BFAHPEKRAFRDGR-KGLIPLIRSA-N 1 3 344.297 2.008 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160866369 1320296162 /nfs/dbraw/zinc/29/61/62/1320296162.db2.gz BFAHPEKRAFRDGR-KGLIPLIRSA-N 1 3 344.297 2.008 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001151415316 1316527948 /nfs/dbraw/zinc/52/79/48/1316527948.db2.gz NEPYYVOMVHAFJZ-CALCHBBNSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001151415316 1316527951 /nfs/dbraw/zinc/52/79/51/1316527951.db2.gz NEPYYVOMVHAFJZ-CALCHBBNSA-N 1 3 337.508 2.033 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353039 1320142027 /nfs/dbraw/zinc/14/20/27/1320142027.db2.gz NYORUEQOWZTYQW-LJQANCHMSA-N 1 3 331.504 2.126 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001160353039 1320142038 /nfs/dbraw/zinc/14/20/38/1320142038.db2.gz NYORUEQOWZTYQW-LJQANCHMSA-N 1 3 331.504 2.126 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832292 1320970349 /nfs/dbraw/zinc/97/03/49/1320970349.db2.gz NHPJKUXDLMTCSN-LJQANCHMSA-N 1 3 329.488 2.174 20 30 EEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC001263103997 1322433922 /nfs/dbraw/zinc/43/39/22/1322433922.db2.gz SQLKNDIDFKHWRF-QGZVFWFLSA-N 1 3 345.491 2.234 20 30 EEEDHO C=C(Br)C[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206641838 1323552792 /nfs/dbraw/zinc/55/27/92/1323552792.db2.gz FZDCJBGASVYPTP-UHFFFAOYSA-N 1 3 346.313 2.065 20 30 EEEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477241 1324944342 /nfs/dbraw/zinc/94/43/42/1324944342.db2.gz BYZUOBWNFSLSTK-VQIMIIECSA-N 1 3 345.487 2.001 20 30 EEEDHO CCN(C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100459869 1338395848 /nfs/dbraw/zinc/39/58/48/1338395848.db2.gz BXDMCVCNETXGPZ-UHFFFAOYSA-N 1 3 348.516 2.334 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212255 1371361299 /nfs/dbraw/zinc/36/12/99/1371361299.db2.gz WEKZAZNLLMOTNH-ZIAGYGMSSA-N 1 3 335.414 2.272 20 30 EEEDHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC001366477503 1373913453 /nfs/dbraw/zinc/91/34/53/1373913453.db2.gz QKYRSFQIRKPIPO-CQSZACIVSA-N 1 3 346.450 2.166 20 30 EEEDHO C=C(Br)C[NH2+][C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001401285748 1397120698 /nfs/dbraw/zinc/12/06/98/1397120698.db2.gz AVDDZKXTCCECTH-OCCSQVGLSA-N 1 3 346.313 2.063 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750170 1407808545 /nfs/dbraw/zinc/80/85/45/1407808545.db2.gz SFJCWACJOULKJA-IEBWSBKVSA-N 1 3 331.504 2.172 20 30 EEEDHO C#CCC[NH2+]C1CC2(CC(NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001122242940 1410268050 /nfs/dbraw/zinc/26/80/50/1410268050.db2.gz RCRGPNXTLMYLGJ-UHFFFAOYSA-N 1 3 339.483 2.402 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454328 760712682 /nfs/dbraw/zinc/71/26/82/760712682.db2.gz QSBKCWBXLMHLDT-PKOBYXMFSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC001075454328 760712688 /nfs/dbraw/zinc/71/26/88/760712688.db2.gz QSBKCWBXLMHLDT-PKOBYXMFSA-N 1 3 333.520 2.301 20 30 EEEDHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167627567 760768938 /nfs/dbraw/zinc/76/89/38/760768938.db2.gz PQBCCYIBVCZZLI-KRWDZBQOSA-N 1 3 348.516 2.479 20 30 EEEDHO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)C[C@H](C)O2 ZINC001098606128 765201664 /nfs/dbraw/zinc/20/16/64/765201664.db2.gz OAKWIIFDORXUFK-KRWDZBQOSA-N 1 3 349.519 2.129 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1c1ccccc1 ZINC001211675508 770095460 /nfs/dbraw/zinc/09/54/60/770095460.db2.gz SMIOMORNJHYYFB-ZCNNSNEGSA-N 1 3 341.499 2.324 20 30 EEEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078546 782872602 /nfs/dbraw/zinc/87/26/02/782872602.db2.gz LXRWCDPOOASPRV-HBFSDRIKSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088078546 782872612 /nfs/dbraw/zinc/87/26/12/782872612.db2.gz LXRWCDPOOASPRV-HBFSDRIKSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979710259 770922048 /nfs/dbraw/zinc/92/20/48/770922048.db2.gz KDJSKBRYSCCWHT-OKZBNKHCSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979710259 770922059 /nfs/dbraw/zinc/92/20/59/770922059.db2.gz KDJSKBRYSCCWHT-OKZBNKHCSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CCC3)C2)CC1 ZINC000981539898 777623679 /nfs/dbraw/zinc/62/36/79/777623679.db2.gz ANHCFXPVWVEYRL-RBUKOAKNSA-N 1 3 331.504 2.149 20 30 EEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151868 778521189 /nfs/dbraw/zinc/52/11/89/778521189.db2.gz IXUJERXVQRTLCA-ZCNNSNEGSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151868 778521194 /nfs/dbraw/zinc/52/11/94/778521194.db2.gz IXUJERXVQRTLCA-ZCNNSNEGSA-N 1 3 341.499 2.489 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000982281225 779526889 /nfs/dbraw/zinc/52/68/89/779526889.db2.gz QILHCLFBMSUBIJ-OYRHEFFESA-N 1 3 345.531 2.445 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980184 784906349 /nfs/dbraw/zinc/90/63/49/784906349.db2.gz MDTUYQXFSJTXPV-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135976051 784925919 /nfs/dbraw/zinc/92/59/19/784925919.db2.gz GHRZJQAOGVXYNT-STQMWFEESA-N 1 3 334.302 2.110 20 30 EEEDHO CC[C@H](C#N)Oc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OC ZINC000817917806 785068858 /nfs/dbraw/zinc/06/88/58/785068858.db2.gz HXPOIHVDBKXUID-PQEBFOHHSA-N 1 3 347.459 2.218 20 30 EEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911745500 787682280 /nfs/dbraw/zinc/68/22/80/787682280.db2.gz PTIRVUPFNXSBNV-MRXNPFEDSA-N 1 3 345.443 2.218 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000844780151 789370778 /nfs/dbraw/zinc/37/07/78/789370778.db2.gz TUVZRFIBBLOHRY-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000844780151 789370790 /nfs/dbraw/zinc/37/07/90/789370790.db2.gz TUVZRFIBBLOHRY-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001086882729 792894406 /nfs/dbraw/zinc/89/44/06/792894406.db2.gz IFWBHENPSFJQSN-XHSDSOJGSA-N 1 3 327.900 2.488 20 30 EEEDHO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086940923 793029746 /nfs/dbraw/zinc/02/97/46/793029746.db2.gz DQKMUJLOXSDHID-KRWDZBQOSA-N 1 3 331.504 2.055 20 30 EEEDHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998995788 793649306 /nfs/dbraw/zinc/64/93/06/793649306.db2.gz VCNNBEXSMCHXJK-MQBCKMQZSA-N 1 3 346.500 2.183 20 30 EEEDHO C=CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092296939 793813275 /nfs/dbraw/zinc/81/32/75/793813275.db2.gz NLOMNXHNRQAOSZ-QUCCMNQESA-N 1 3 327.472 2.328 20 30 EEEDHO C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092296939 793813284 /nfs/dbraw/zinc/81/32/84/793813284.db2.gz NLOMNXHNRQAOSZ-QUCCMNQESA-N 1 3 327.472 2.328 20 30 EEEDHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CC1 ZINC000999374973 794353206 /nfs/dbraw/zinc/35/32/06/794353206.db2.gz SQMKZSUJHAPJSZ-RHSMWYFYSA-N 1 3 346.500 2.041 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001093374063 795108046 /nfs/dbraw/zinc/10/80/46/795108046.db2.gz YJWQGYXSVVJYQD-OALUTQOASA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC001093374063 795108048 /nfs/dbraw/zinc/10/80/48/795108048.db2.gz YJWQGYXSVVJYQD-OALUTQOASA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001093378898 795115488 /nfs/dbraw/zinc/11/54/88/795115488.db2.gz VOIKCSMPXQHVOH-IBGZPJMESA-N 1 3 343.515 2.055 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093378843 795115898 /nfs/dbraw/zinc/11/58/98/795115898.db2.gz UWPNXRCZZCHLST-ROUUACIJSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093378843 795115902 /nfs/dbraw/zinc/11/59/02/795115902.db2.gz UWPNXRCZZCHLST-ROUUACIJSA-N 1 3 331.504 2.053 20 30 EEEDHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)N(C)C ZINC001106309250 795382797 /nfs/dbraw/zinc/38/27/97/795382797.db2.gz SGIQXJTZZOAILG-MISYRCLQSA-N 1 3 341.499 2.062 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC(CC)CC)CC1 ZINC001032800650 796449480 /nfs/dbraw/zinc/44/94/80/796449480.db2.gz RQUDZLXIHGCYNK-OALUTQOASA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(CC)CC)CC1 ZINC001032800650 796449483 /nfs/dbraw/zinc/44/94/83/796449483.db2.gz RQUDZLXIHGCYNK-OALUTQOASA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCCN2CCCC)CC1 ZINC001002036763 797499255 /nfs/dbraw/zinc/49/92/55/797499255.db2.gz KSSBJGWGVYPISJ-LJQANCHMSA-N 1 3 333.520 2.493 20 30 EEEDHO CC(C)[C@@H](C(=O)NCCCNCc1ccccc1C#N)[NH+]1CCCC1 ZINC001176999438 798688318 /nfs/dbraw/zinc/68/83/18/798688318.db2.gz WHLNPLOPGMKLRB-IBGZPJMESA-N 1 3 342.487 2.275 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585796 802425671 /nfs/dbraw/zinc/42/56/71/802425671.db2.gz LGERDSJJQANYLA-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585796 802425677 /nfs/dbraw/zinc/42/56/77/802425677.db2.gz LGERDSJJQANYLA-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1)N(C)C ZINC001437090028 1089042427 /nfs/dbraw/zinc/04/24/27/1089042427.db2.gz QTXZNHHFTTYUJY-KVULBXGLSA-N 1 3 348.516 2.477 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001495588178 1101292940 /nfs/dbraw/zinc/29/29/40/1101292940.db2.gz LCXWFNNAYAVGCY-HXUWFJFHSA-N 1 3 341.499 2.351 20 30 EEEDHO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001521504506 1119256344 /nfs/dbraw/zinc/25/63/44/1119256344.db2.gz WFFUYUIQRHUHTF-SFHVURJKSA-N 1 3 330.476 2.056 20 30 EEEDHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000574825476 320060838 /nfs/dbraw/zinc/06/08/38/320060838.db2.gz CGQKLSOQRRJJQK-XYJFISCASA-N 1 3 344.507 2.287 20 30 EEEDHO CN(CC#CC[N@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000341896542 465273740 /nfs/dbraw/zinc/27/37/40/465273740.db2.gz OJYJDRHWYFBMML-UHFFFAOYSA-N 1 3 336.520 2.487 20 30 EEEDHO CN(CC#CC[N@@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000341896542 465273745 /nfs/dbraw/zinc/27/37/45/465273745.db2.gz OJYJDRHWYFBMML-UHFFFAOYSA-N 1 3 336.520 2.487 20 30 EEEDHO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](N2CCCCC2)C1 ZINC000262470064 464029511 /nfs/dbraw/zinc/02/95/11/464029511.db2.gz OQFNIQWECXDXNQ-HNNXBMFYSA-N 1 3 346.504 2.031 20 30 EEEDHO C[C@H]1CN(CCCNC(=[NH2+])Nc2cc(F)ccc2F)CCCO1 ZINC000288726041 464056956 /nfs/dbraw/zinc/05/69/56/464056956.db2.gz MSVHEQDVZLNXQU-LBPRGKRZSA-N 1 3 326.391 2.192 20 30 EEEDHO C[NH+]=C(NCc1ccco1)NCc1ccccc1OCCN(C)C ZINC000264045674 464276805 /nfs/dbraw/zinc/27/68/05/464276805.db2.gz KIWUXJCCJTYPNM-UHFFFAOYSA-N 1 3 330.432 2.085 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376744068 466928371 /nfs/dbraw/zinc/92/83/71/466928371.db2.gz PIAFNBZGZCVHHG-JWTNVVGKSA-N 1 3 334.508 2.294 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376744068 466928374 /nfs/dbraw/zinc/92/83/74/466928374.db2.gz PIAFNBZGZCVHHG-JWTNVVGKSA-N 1 3 334.508 2.294 20 30 EEEDHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424125944 466985060 /nfs/dbraw/zinc/98/50/60/466985060.db2.gz AYAHZDGEQXUOMO-SFHVURJKSA-N 1 3 328.460 2.097 20 30 EEEDHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000424152069 466991862 /nfs/dbraw/zinc/99/18/62/466991862.db2.gz IBKZRIQVUNICJG-KBAYOESNSA-N 1 3 328.460 2.177 20 30 EEEDHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000424152069 466991865 /nfs/dbraw/zinc/99/18/65/466991865.db2.gz IBKZRIQVUNICJG-KBAYOESNSA-N 1 3 328.460 2.177 20 30 EEEDHO CC(C)(C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CN1CCCC1 ZINC000563617880 469242681 /nfs/dbraw/zinc/24/26/81/469242681.db2.gz IRIAOISCSRSMSM-SFHVURJKSA-N 1 3 345.487 2.204 20 30 EEEDHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603111525 469267634 /nfs/dbraw/zinc/26/76/34/469267634.db2.gz RKBCTSSGCOQQSL-IBGZPJMESA-N 1 3 345.487 2.496 20 30 EEEDHO C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000611559915 469279388 /nfs/dbraw/zinc/27/93/88/469279388.db2.gz MVRMGQBUKNKKOC-BEFAXECRSA-N 1 3 340.471 2.374 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659449922 471634473 /nfs/dbraw/zinc/63/44/73/471634473.db2.gz BIVNSZUTSZJRGC-SFHVURJKSA-N 1 3 348.535 2.448 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681629 472204265 /nfs/dbraw/zinc/20/42/65/472204265.db2.gz KMIPVSMBJLQZPW-HOCLYGCPSA-N 1 3 347.425 2.343 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112167190 782132561 /nfs/dbraw/zinc/13/25/61/782132561.db2.gz HQSXXICSIOLNBD-MCIONIFRSA-N 1 3 335.414 2.272 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114643409 526926632 /nfs/dbraw/zinc/92/66/32/526926632.db2.gz KUCLNKNEFVHGAG-FQEVSTJZSA-N 1 3 339.483 2.112 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114643409 526926640 /nfs/dbraw/zinc/92/66/40/526926640.db2.gz KUCLNKNEFVHGAG-FQEVSTJZSA-N 1 3 339.483 2.112 20 30 EEEDHO C#CCOc1ccccc1C[NH2+]C[C@@H](C)CN1CCN(CC)CC1 ZINC000105442370 527128540 /nfs/dbraw/zinc/12/85/40/527128540.db2.gz VIWIEJQBZYGAEI-GOSISDBHSA-N 1 3 329.488 2.062 20 30 EEEDHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001021692305 676350550 /nfs/dbraw/zinc/35/05/50/676350550.db2.gz SZXYXRJKTAASGF-VQTJNVASSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707850 676366793 /nfs/dbraw/zinc/36/67/93/676366793.db2.gz YSYNXHKDPJXDEI-WOJBJXKFSA-N 1 3 345.531 2.443 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000972264927 678467928 /nfs/dbraw/zinc/46/79/28/678467928.db2.gz IRZUKZYKGZAKDR-RTBURBONSA-N 1 3 342.487 2.177 20 30 EEEDHO CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755575 682109529 /nfs/dbraw/zinc/10/95/29/682109529.db2.gz QISJQUDCSQYPIG-MJGOQNOKSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755575 682109531 /nfs/dbraw/zinc/10/95/31/682109531.db2.gz QISJQUDCSQYPIG-MJGOQNOKSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627239 683157376 /nfs/dbraw/zinc/15/73/76/683157376.db2.gz ICXSFENOILOZQT-QFBILLFUSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627239 683157379 /nfs/dbraw/zinc/15/73/79/683157379.db2.gz ICXSFENOILOZQT-QFBILLFUSA-N 1 3 327.472 2.212 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027044140 685738976 /nfs/dbraw/zinc/73/89/76/685738976.db2.gz RGORFOGGPFRZDC-RBUKOAKNSA-N 1 3 342.487 2.083 20 30 EEEDHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001029767761 687036721 /nfs/dbraw/zinc/03/67/21/687036721.db2.gz YSDCQZLONUSWKN-RBUKOAKNSA-N 1 3 342.487 2.179 20 30 EEEDHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001029767761 687036725 /nfs/dbraw/zinc/03/67/25/687036725.db2.gz YSDCQZLONUSWKN-RBUKOAKNSA-N 1 3 342.487 2.179 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979073940 694165352 /nfs/dbraw/zinc/16/53/52/694165352.db2.gz ARUKMFKVSQBSHE-LDLYASANSA-N 1 3 327.472 2.232 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979073940 694165354 /nfs/dbraw/zinc/16/53/54/694165354.db2.gz ARUKMFKVSQBSHE-LDLYASANSA-N 1 3 327.472 2.232 20 30 EEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088413208 1186825782 /nfs/dbraw/zinc/82/57/82/1186825782.db2.gz ALISMKDOICLPCE-HOTGVXAUSA-N 1 3 327.900 2.442 20 30 EEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001088413208 1186825790 /nfs/dbraw/zinc/82/57/90/1186825790.db2.gz ALISMKDOICLPCE-HOTGVXAUSA-N 1 3 327.900 2.442 20 30 EEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365980 1194481384 /nfs/dbraw/zinc/48/13/84/1194481384.db2.gz RWSGHTQTZIAXRN-RBUKOAKNSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365980 1194481387 /nfs/dbraw/zinc/48/13/87/1194481387.db2.gz RWSGHTQTZIAXRN-RBUKOAKNSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133404074 1200866926 /nfs/dbraw/zinc/86/69/26/1200866926.db2.gz WQKLHWHZLYUGIC-CRAIPNDOSA-N 1 3 347.890 2.089 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133404074 1200866935 /nfs/dbraw/zinc/86/69/35/1200866935.db2.gz WQKLHWHZLYUGIC-CRAIPNDOSA-N 1 3 347.890 2.089 20 30 EEEDHO CN(C)CC[N@@H+]1CCC2(CN(CCCc3cccc(C#N)c3)C2)C1 ZINC001274890089 1205198510 /nfs/dbraw/zinc/19/85/10/1205198510.db2.gz DIFMCBFKRDDMDF-UHFFFAOYSA-N 1 3 326.488 2.060 20 30 EEEDHO CN(C)CC[N@H+]1CCC2(CN(CCCc3cccc(C#N)c3)C2)C1 ZINC001274890089 1205198513 /nfs/dbraw/zinc/19/85/13/1205198513.db2.gz DIFMCBFKRDDMDF-UHFFFAOYSA-N 1 3 326.488 2.060 20 30 EEEDHO COCCCC[N@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274987887 1205226599 /nfs/dbraw/zinc/22/65/99/1205226599.db2.gz JZBLFZGIQDZDIA-KDURUIRLSA-N 1 3 344.503 2.467 20 30 EEEDHO COCCCC[N@@H+]1C[C@@H]2CCN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274987887 1205226602 /nfs/dbraw/zinc/22/66/02/1205226602.db2.gz JZBLFZGIQDZDIA-KDURUIRLSA-N 1 3 344.503 2.467 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568096 1208624080 /nfs/dbraw/zinc/62/40/80/1208624080.db2.gz JDEBINRDLFFPJL-MJGOQNOKSA-N 1 3 341.499 2.397 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OC1CCCC1 ZINC000303889848 1213921091 /nfs/dbraw/zinc/92/10/91/1213921091.db2.gz MFDPIAGMRARUPJ-MRXNPFEDSA-N 1 3 345.491 2.292 20 30 EEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559906 1215210443 /nfs/dbraw/zinc/21/04/43/1215210443.db2.gz PVCWINCRTJBLQY-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(=C)C)CC[C@H]2C)CC1 ZINC000968682358 1221487497 /nfs/dbraw/zinc/48/74/97/1221487497.db2.gz QBFOYEIAKNNFRQ-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCC(=C)C)CC[C@H]2C)CC1 ZINC000968682358 1221487501 /nfs/dbraw/zinc/48/75/01/1221487501.db2.gz QBFOYEIAKNNFRQ-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001016820728 1226903638 /nfs/dbraw/zinc/90/36/38/1226903638.db2.gz SSTWJBLXALRKAM-IBGZPJMESA-N 1 3 339.483 2.008 20 30 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IFLLUVUTELBSLZ-KFWWJZLASA-N 1 3 347.425 2.416 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C(F)(F)F ZINC001099259471 1258045712 /nfs/dbraw/zinc/04/57/12/1258045712.db2.gz IFLLUVUTELBSLZ-KFWWJZLASA-N 1 3 347.425 2.416 20 30 EEEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185751320 1278785257 /nfs/dbraw/zinc/78/52/57/1278785257.db2.gz OZWYNSOWIHKKBB-ROUUACIJSA-N 1 3 341.499 2.459 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC001152330477 1284548759 /nfs/dbraw/zinc/54/87/59/1284548759.db2.gz OVRAWKKQYGXHJJ-UHFFFAOYSA-N 1 3 339.483 2.115 20 30 EEEDHO C=CCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1OC ZINC001198902094 1285402325 /nfs/dbraw/zinc/40/23/25/1285402325.db2.gz DOMYQPBKUGTUSM-FUHWJXTLSA-N 1 3 345.487 2.360 20 30 EEEDHO C=CCCCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753906 1296160519 /nfs/dbraw/zinc/16/05/19/1296160519.db2.gz PBDONTLDCYBSSI-QZTJIDSGSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCCCCC[C@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121599 1298669857 /nfs/dbraw/zinc/66/98/57/1298669857.db2.gz LCTKZSJLBYOLQM-KRWDZBQOSA-N 1 3 330.476 2.240 20 30 EEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659488 1298977545 /nfs/dbraw/zinc/97/75/45/1298977545.db2.gz QORREUKQQYKKIG-SJLPKXTDSA-N 1 3 328.460 2.017 20 30 EEEDHO CN(CCN1CC[NH2+]CC1)Cc1ccccc1C#Cc1ccccc1 ZINC001236083103 1305498627 /nfs/dbraw/zinc/49/86/27/1305498627.db2.gz NTMAGBDTYDCTOZ-UHFFFAOYSA-N 1 3 333.479 2.423 20 30 EEEDHO CCN(CC)CC(=O)N1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001206653956 1317502392 /nfs/dbraw/zinc/50/23/92/1317502392.db2.gz PTBAFOASIQDXIW-UHFFFAOYSA-N 1 3 341.499 2.208 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249940 1317521946 /nfs/dbraw/zinc/52/19/46/1317521946.db2.gz VLRWDEILDGJQML-QGZVFWFLSA-N 1 3 329.488 2.254 20 30 EEEDHO N#Cc1ccc(OCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256684547 1318830215 /nfs/dbraw/zinc/83/02/15/1318830215.db2.gz SQJKOYNUOSYZAL-UHFFFAOYSA-N 1 3 329.444 2.170 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131247 1320078121 /nfs/dbraw/zinc/07/81/21/1320078121.db2.gz IKEFZZLWYNHLNJ-OALUTQOASA-N 1 3 329.488 2.023 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131247 1320078122 /nfs/dbraw/zinc/07/81/22/1320078122.db2.gz IKEFZZLWYNHLNJ-OALUTQOASA-N 1 3 329.488 2.023 20 30 EEEDHO C#CCC[N@H+]1CC=C(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001161212815 1320422133 /nfs/dbraw/zinc/42/21/33/1320422133.db2.gz BAWUISAARAZQMG-HXUWFJFHSA-N 1 3 349.494 2.361 20 30 EEEDHO C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001161212815 1320422137 /nfs/dbraw/zinc/42/21/37/1320422137.db2.gz BAWUISAARAZQMG-HXUWFJFHSA-N 1 3 349.494 2.361 20 30 EEEDHO C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952966 1320692749 /nfs/dbraw/zinc/69/27/49/1320692749.db2.gz NBDAWVFRWWVNJT-IBGZPJMESA-N 1 3 349.519 2.202 20 30 EEEDHO C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001161952966 1320692752 /nfs/dbraw/zinc/69/27/52/1320692752.db2.gz NBDAWVFRWWVNJT-IBGZPJMESA-N 1 3 349.519 2.202 20 30 EEEDHO C=CCc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[O-] ZINC001276684319 1325289754 /nfs/dbraw/zinc/28/97/54/1325289754.db2.gz BQQQUJRMFCWQGW-OALUTQOASA-N 1 3 329.488 2.331 20 30 EEEDHO C=CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[O-] ZINC001276684319 1325289758 /nfs/dbraw/zinc/28/97/58/1325289758.db2.gz BQQQUJRMFCWQGW-OALUTQOASA-N 1 3 329.488 2.331 20 30 EEEDHO C[C@H](CCNC(=O)CC[NH+]1CCCCC1)NCc1ccccc1C#N ZINC001492129869 1330982907 /nfs/dbraw/zinc/98/29/07/1330982907.db2.gz TUNKOPVMMUWZHX-QGZVFWFLSA-N 1 3 342.487 2.419 20 30 EEEDHO C=CCC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679892 1373118346 /nfs/dbraw/zinc/11/83/46/1373118346.db2.gz UMDFXSVITGMZOX-JMLCCBQJSA-N 1 3 325.472 2.259 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001365838454 1373767324 /nfs/dbraw/zinc/76/73/24/1373767324.db2.gz CBAQGSKNESBTSW-CKEIUWERSA-N 1 3 348.516 2.190 20 30 EEEDHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378323552 1379865831 /nfs/dbraw/zinc/86/58/31/1379865831.db2.gz YQVMYXTTXGKDQN-MSOLQXFVSA-N 1 3 330.476 2.129 20 30 EEEDHO C[C@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001382136832 1381998941 /nfs/dbraw/zinc/99/89/41/1381998941.db2.gz ILGXNBNYBMEXNS-OAHLLOKOSA-N 1 3 348.516 2.288 20 30 EEEDHO C=C(Br)CN[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001392251536 1389927916 /nfs/dbraw/zinc/92/79/16/1389927916.db2.gz VHNZFKKFONWKEY-KGLIPLIRSA-N 1 3 348.329 2.212 20 30 EEEDHO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001392509315 1390072108 /nfs/dbraw/zinc/07/21/08/1390072108.db2.gz GIOUYROKNSTEKQ-OAHLLOKOSA-N 1 3 330.476 2.130 20 30 EEEDHO CC[N@H+](C)CCC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001398203762 1391824537 /nfs/dbraw/zinc/82/45/37/1391824537.db2.gz PXEUPPJXNOKYEE-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001398203762 1391824548 /nfs/dbraw/zinc/82/45/48/1391824548.db2.gz PXEUPPJXNOKYEE-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001400808006 1396602669 /nfs/dbraw/zinc/60/26/69/1396602669.db2.gz CTJNASXWYLLTFU-ZDUSSCGKSA-N 1 3 334.489 2.088 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)[C@@H]2CC)CC1 ZINC001087840359 782349656 /nfs/dbraw/zinc/34/96/56/782349656.db2.gz UGVDTNANDONLBZ-RBUKOAKNSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2CC)CC1 ZINC001087840359 782349661 /nfs/dbraw/zinc/34/96/61/782349661.db2.gz UGVDTNANDONLBZ-RBUKOAKNSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461601 760934237 /nfs/dbraw/zinc/93/42/37/760934237.db2.gz MBAVQPIOLIYSLR-SFHVURJKSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461601 760934243 /nfs/dbraw/zinc/93/42/43/760934243.db2.gz MBAVQPIOLIYSLR-SFHVURJKSA-N 1 3 331.504 2.056 20 30 EEEDHO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001098606129 765201620 /nfs/dbraw/zinc/20/16/20/765201620.db2.gz OAKWIIFDORXUFK-QGZVFWFLSA-N 1 3 349.519 2.129 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980248978 774160814 /nfs/dbraw/zinc/16/08/14/774160814.db2.gz XGYHEMFSFHSPKZ-UFYCRDLUSA-N 1 3 339.483 2.212 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980248978 774160819 /nfs/dbraw/zinc/16/08/19/774160819.db2.gz XGYHEMFSFHSPKZ-UFYCRDLUSA-N 1 3 339.483 2.212 20 30 EEEDHO C[NH+](C)C1(CC(=O)NCCNCc2ccc(C#N)cc2)CCCC1 ZINC001131836994 783336070 /nfs/dbraw/zinc/33/60/70/783336070.db2.gz KAPUTNDAURMYON-UHFFFAOYSA-N 1 3 328.460 2.029 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299806 786234285 /nfs/dbraw/zinc/23/42/85/786234285.db2.gz DOFVMHKSOGAJJZ-KDOFPFPSSA-N 1 3 325.472 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/nfs/dbraw/zinc/13/24/83/782132483.db2.gz BXVPIBRRJPDSGS-ICSRJNTNSA-N 1 3 345.531 2.396 20 30 EEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428558 675875333 /nfs/dbraw/zinc/87/53/33/675875333.db2.gz PEUBCUPZFMBSQF-MRXNPFEDSA-N 1 3 329.488 2.417 20 30 EEEDHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707848 676366637 /nfs/dbraw/zinc/36/66/37/676366637.db2.gz YSYNXHKDPJXDEI-UXHICEINSA-N 1 3 345.531 2.443 20 30 EEEDHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972329759 678552218 /nfs/dbraw/zinc/55/22/18/678552218.db2.gz BBBPVYQZYONQLW-LPHOPBHVSA-N 1 3 340.471 2.075 20 30 EEEDHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000972329759 678552220 /nfs/dbraw/zinc/55/22/20/678552220.db2.gz BBBPVYQZYONQLW-LPHOPBHVSA-N 1 3 340.471 2.075 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001026901524 685273082 /nfs/dbraw/zinc/27/30/82/685273082.db2.gz RGORFOGGPFRZDC-OALUTQOASA-N 1 3 342.487 2.083 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC000982726283 682111859 /nfs/dbraw/zinc/11/18/59/682111859.db2.gz UDVNUZULNRSVAQ-NRSPTQNISA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC000982726283 682111861 /nfs/dbraw/zinc/11/18/61/682111861.db2.gz UDVNUZULNRSVAQ-NRSPTQNISA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557147 682994919 /nfs/dbraw/zinc/99/49/19/682994919.db2.gz FCLYREGYCCKEPT-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001020239297 683565129 /nfs/dbraw/zinc/56/51/29/683565129.db2.gz WACRICNLQUENNY-IIAWOOMASA-N 1 3 325.884 2.383 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239297 683565130 /nfs/dbraw/zinc/56/51/30/683565130.db2.gz WACRICNLQUENNY-IIAWOOMASA-N 1 3 325.884 2.383 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013855 694186530 /nfs/dbraw/zinc/18/65/30/694186530.db2.gz AIUAHTCBOHQBSD-NLWGTHIKSA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991013855 694186532 /nfs/dbraw/zinc/18/65/32/694186532.db2.gz AIUAHTCBOHQBSD-NLWGTHIKSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C[C@@H]2C)CC1 ZINC000989829052 692371911 /nfs/dbraw/zinc/37/19/11/692371911.db2.gz NMRNOLLGXNITKX-PXNSSMCTSA-N 1 3 339.483 2.111 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001134607085 1199698789 /nfs/dbraw/zinc/69/87/89/1199698789.db2.gz DBRNGRRTVYDPGB-MSOLQXFVSA-N 1 3 341.499 2.395 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001134607828 1199700629 /nfs/dbraw/zinc/70/06/29/1199700629.db2.gz MFNDXNWYCPUIOI-KGLIPLIRSA-N 1 3 348.516 2.477 20 30 EEEDHO C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)N(C)C ZINC001133405934 1200870059 /nfs/dbraw/zinc/87/00/59/1200870059.db2.gz XUCCNSDQZDHNDO-KRWDZBQOSA-N 1 3 335.879 2.232 20 30 EEEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001133410565 1200879042 /nfs/dbraw/zinc/87/90/42/1200879042.db2.gz NMLZDMAZWDCBIX-QGZVFWFLSA-N 1 3 347.890 2.233 20 30 EEEDHO CC#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001133410565 1200879047 /nfs/dbraw/zinc/87/90/47/1200879047.db2.gz NMLZDMAZWDCBIX-QGZVFWFLSA-N 1 3 347.890 2.233 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443815 1217192086 /nfs/dbraw/zinc/19/20/86/1217192086.db2.gz WPBOMLUDUHQQSY-LJQANCHMSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443815 1217192089 /nfs/dbraw/zinc/19/20/89/1217192089.db2.gz WPBOMLUDUHQQSY-LJQANCHMSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001016338050 1226361442 /nfs/dbraw/zinc/36/14/42/1226361442.db2.gz VSKJTXFEGGLBHI-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC001016338050 1226361449 /nfs/dbraw/zinc/36/14/49/1226361449.db2.gz VSKJTXFEGGLBHI-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018938285 1228551646 /nfs/dbraw/zinc/55/16/46/1228551646.db2.gz HICFFVCCYWNTAV-YOEHRIQHSA-N 1 3 346.500 2.185 20 30 EEEDHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018938285 1228551648 /nfs/dbraw/zinc/55/16/48/1228551648.db2.gz HICFFVCCYWNTAV-YOEHRIQHSA-N 1 3 346.500 2.185 20 30 EEEDHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054738390 1248967796 /nfs/dbraw/zinc/96/77/96/1248967796.db2.gz PLSGIQPBQPRTHZ-GUYCJALGSA-N 1 3 346.500 2.041 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC001041288481 1231495788 /nfs/dbraw/zinc/49/57/88/1231495788.db2.gz XGABIMVQOCZTRM-NQIIRXRSSA-N 1 3 343.515 2.199 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC001041288481 1231495790 /nfs/dbraw/zinc/49/57/90/1231495790.db2.gz XGABIMVQOCZTRM-NQIIRXRSSA-N 1 3 343.515 2.199 20 30 EEEDHO CC#CCN1CC[C@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742794 1231670943 /nfs/dbraw/zinc/67/09/43/1231670943.db2.gz DZSVJLLRNPHIRN-NRFANRHFSA-N 1 3 339.483 2.310 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001045205497 1233579232 /nfs/dbraw/zinc/57/92/32/1233579232.db2.gz MLARBIKMCZVTEY-WMZOPIPTSA-N 1 3 346.450 2.118 20 30 EEEDHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCc2ccc(C#N)s2)C1 ZINC001045273570 1233629881 /nfs/dbraw/zinc/62/98/81/1233629881.db2.gz OONCTEGHFDOBPY-GJZGRUSLSA-N 1 3 346.500 2.042 20 30 EEEDHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCc2ccc(C#N)s2)C1 ZINC001045273570 1233629885 /nfs/dbraw/zinc/62/98/85/1233629885.db2.gz OONCTEGHFDOBPY-GJZGRUSLSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257822 1235762483 /nfs/dbraw/zinc/76/24/83/1235762483.db2.gz UWPPXXYRUWCAKG-ICSRJNTNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572406 1237993330 /nfs/dbraw/zinc/99/33/30/1237993330.db2.gz HTBMZYBUPWEWSS-RDGPPVDQSA-N 1 3 331.504 2.242 20 30 EEEDHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001048572406 1237993334 /nfs/dbraw/zinc/99/33/34/1237993334.db2.gz HTBMZYBUPWEWSS-RDGPPVDQSA-N 1 3 331.504 2.242 20 30 EEEDHO CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000149409 1239999287 /nfs/dbraw/zinc/99/92/87/1239999287.db2.gz LNRMTANEGABXIP-SFHVURJKSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)CC1 ZINC001000149409 1239999292 /nfs/dbraw/zinc/99/92/92/1239999292.db2.gz LNRMTANEGABXIP-SFHVURJKSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049845356 1242400209 /nfs/dbraw/zinc/40/02/09/1242400209.db2.gz XXGQICYYJVKYPI-PMACEKPBSA-N 1 3 343.515 2.197 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001073627260 1242589914 /nfs/dbraw/zinc/58/99/14/1242589914.db2.gz KWMXMPMFOXKPOB-QZTJIDSGSA-N 1 3 337.508 2.034 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCN2CCC)C1 ZINC001073627260 1242589921 /nfs/dbraw/zinc/58/99/21/1242589921.db2.gz KWMXMPMFOXKPOB-QZTJIDSGSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049919830 1242711220 /nfs/dbraw/zinc/71/12/20/1242711220.db2.gz PSHWVHKOABACKN-UXHICEINSA-N 1 3 339.483 2.450 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049919830 1242711230 /nfs/dbraw/zinc/71/12/30/1242711230.db2.gz PSHWVHKOABACKN-UXHICEINSA-N 1 3 339.483 2.450 20 30 EEEDHO CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095201 1245890435 /nfs/dbraw/zinc/89/04/35/1245890435.db2.gz IHDCOURIWPIHRN-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245199 1247860086 /nfs/dbraw/zinc/86/00/86/1247860086.db2.gz PSOCHMXPMYGUNE-PZJWPPBQSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CCCN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281493 1247998434 /nfs/dbraw/zinc/99/84/34/1247998434.db2.gz MYSOFZDZMQOICH-KXBFYZLASA-N 1 3 327.472 2.392 20 30 EEEDHO C=CCCN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281493 1247998446 /nfs/dbraw/zinc/99/84/46/1247998446.db2.gz MYSOFZDZMQOICH-KXBFYZLASA-N 1 3 327.472 2.392 20 30 EEEDHO C=CCN1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597506 1258246398 /nfs/dbraw/zinc/24/63/98/1258246398.db2.gz XETJRXNWYOUBIS-GOSISDBHSA-N 1 3 349.519 2.036 20 30 EEEDHO C=C[C@@H]1C[C@]1(N)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202059 1298702054 /nfs/dbraw/zinc/70/20/54/1298702054.db2.gz RHJHEFPMAHTTOF-LSBZLQRGSA-N 1 3 331.435 2.276 20 30 EEEDHO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]21 ZINC001222790294 1299861906 /nfs/dbraw/zinc/86/19/06/1299861906.db2.gz WLFLYPVKQWRRRH-ZACQAIPSSA-N 1 3 325.472 2.165 20 30 EEEDHO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]21 ZINC001222790294 1299861917 /nfs/dbraw/zinc/86/19/17/1299861917.db2.gz WLFLYPVKQWRRRH-ZACQAIPSSA-N 1 3 325.472 2.165 20 30 EEEDHO C[NH+](C)CCCC(=O)NCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001224254507 1300512450 /nfs/dbraw/zinc/51/24/50/1300512450.db2.gz VJTOSRSSECNFFB-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C=CCOCC[NH+]1CCC(NC(=O)CN(C)CCCCCC)CC1 ZINC001229641570 1302903692 /nfs/dbraw/zinc/90/36/92/1302903692.db2.gz OJVUMTBVZNBFAN-UHFFFAOYSA-N 1 3 339.524 2.282 20 30 EEEDHO C=C(C)CN(CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846336 1303497197 /nfs/dbraw/zinc/49/71/97/1303497197.db2.gz GCNJIFYADJHAJB-HKUYNNGSSA-N 1 3 344.503 2.164 20 30 EEEDHO C=C(C)CN(CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)Cc1cccnc1 ZINC001230846336 1303497199 /nfs/dbraw/zinc/49/71/99/1303497199.db2.gz GCNJIFYADJHAJB-HKUYNNGSSA-N 1 3 344.503 2.164 20 30 EEEDHO C=CCC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846362 1303497643 /nfs/dbraw/zinc/49/76/43/1303497643.db2.gz HDOUMRMMKLURLY-SFHVURJKSA-N 1 3 344.503 2.308 20 30 EEEDHO C=CCC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846362 1303497644 /nfs/dbraw/zinc/49/76/44/1303497644.db2.gz HDOUMRMMKLURLY-SFHVURJKSA-N 1 3 344.503 2.308 20 30 EEEDHO C=CCOCC[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601449 1305484150 /nfs/dbraw/zinc/48/41/50/1305484150.db2.gz BASIYKNILXBWRP-UHFFFAOYSA-N 1 3 339.524 2.328 20 30 EEEDHO CCC[NH+]1CCC(N2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001278192352 1306238307 /nfs/dbraw/zinc/23/83/07/1306238307.db2.gz BOUPZICNWQIUKB-UHFFFAOYSA-N 1 3 332.492 2.135 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131279 1320079042 /nfs/dbraw/zinc/07/90/42/1320079042.db2.gz JVZIXZBQXIIZKG-UHFFFAOYSA-N 1 3 331.504 2.413 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160474014 1320171875 /nfs/dbraw/zinc/17/18/75/1320171875.db2.gz WPEWJITXDLDMER-OALUTQOASA-N 1 3 329.488 2.165 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160474014 1320171877 /nfs/dbraw/zinc/17/18/77/1320171877.db2.gz WPEWJITXDLDMER-OALUTQOASA-N 1 3 329.488 2.165 20 30 EEEDHO CC#CCNCCN(CCc1ccccc1)C(=O)CCC[NH+](C)C ZINC001162906980 1320986017 /nfs/dbraw/zinc/98/60/17/1320986017.db2.gz WUVNWJHTDQMARV-UHFFFAOYSA-N 1 3 329.488 2.012 20 30 EEEDHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC001203360600 1321869060 /nfs/dbraw/zinc/86/90/60/1321869060.db2.gz XVAMMIZTKHDHOZ-OALUTQOASA-N 1 3 339.483 2.007 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205691956 1323248655 /nfs/dbraw/zinc/24/86/55/1323248655.db2.gz KEGBCQXYDIANFY-FUHWJXTLSA-N 1 3 333.451 2.236 20 30 EEEDHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC001206890299 1323673663 /nfs/dbraw/zinc/67/36/63/1323673663.db2.gz KOGXXLZKPUTRKT-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C=CCCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001340733618 1337237585 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C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC001755114978 1407124620 /nfs/dbraw/zinc/12/46/20/1407124620.db2.gz XUSLFTJOWBCUFD-YJBOKZPZSA-N 1 3 347.890 2.080 20 30 EEEDHO C[C@]1(CNC(=O)[C@H](N)CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560096 1410397698 /nfs/dbraw/zinc/39/76/98/1410397698.db2.gz JBWNIZWPZKKFTA-IEBWSBKVSA-N 1 3 328.460 2.036 20 30 EEEDHO C[C@]1(CNC(=O)[C@H](N)CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560096 1410397706 /nfs/dbraw/zinc/39/77/06/1410397706.db2.gz JBWNIZWPZKKFTA-IEBWSBKVSA-N 1 3 328.460 2.036 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821201 1410852645 /nfs/dbraw/zinc/85/26/45/1410852645.db2.gz PGEIVUNRKGLZOL-PXNSSMCTSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506778 759897659 /nfs/dbraw/zinc/89/76/59/759897659.db2.gz FKPUGJOZFCZWBS-PXNSSMCTSA-N 1 3 331.504 2.102 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610660 760728689 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ANHCFXPVWVEYRL-RTBURBONSA-N 1 3 331.504 2.149 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541006 777624887 /nfs/dbraw/zinc/62/48/87/777624887.db2.gz IKGUBOUIABTHDA-MOPGFXCFSA-N 1 3 331.504 2.149 20 30 EEEDHO C=CCN1CCCC2(CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)C1 ZINC000982012601 778862264 /nfs/dbraw/zinc/86/22/64/778862264.db2.gz AWNGXHWWVIJGDQ-LJQANCHMSA-N 1 3 337.483 2.309 20 30 EEEDHO C=CCN1CCCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC000982012601 778862272 /nfs/dbraw/zinc/86/22/72/778862272.db2.gz AWNGXHWWVIJGDQ-LJQANCHMSA-N 1 3 337.483 2.309 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001035039509 783596281 /nfs/dbraw/zinc/59/62/81/783596281.db2.gz DZNIJOCEVLYVQQ-RHSMWYFYSA-N 1 3 348.516 2.287 20 30 EEEDHO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226315 784112745 /nfs/dbraw/zinc/11/27/45/784112745.db2.gz FXLCDPFIRFQVIY-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226315 784112749 /nfs/dbraw/zinc/11/27/49/784112749.db2.gz FXLCDPFIRFQVIY-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CC[NH2+][C@H](C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C1CCCC1 ZINC001098820613 787362156 /nfs/dbraw/zinc/36/21/56/787362156.db2.gz JSEGMKCRNBPNGX-VQIMIIECSA-N 1 3 342.487 2.363 20 30 EEEDHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997332150 789606205 /nfs/dbraw/zinc/60/62/05/789606205.db2.gz FDSHGCHHYBOGPP-IEBWSBKVSA-N 1 3 333.520 2.489 20 30 EEEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540316 794133437 /nfs/dbraw/zinc/13/34/37/794133437.db2.gz PVOVFLGDPHIHSZ-ZJOUEHCJSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992503258 794430691 /nfs/dbraw/zinc/43/06/91/794430691.db2.gz DSNQVMVMYMLKJC-TZIWHRDSSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502237 794436643 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C[N@H+]1CC[C@H](C(=O)NCCCCCCNCc2ccccc2C#N)C1 ZINC001180259741 800336505 /nfs/dbraw/zinc/33/65/05/800336505.db2.gz KWLLWJYNPGPGQI-IBGZPJMESA-N 1 3 342.487 2.276 20 30 EEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639726 800950978 /nfs/dbraw/zinc/95/09/78/800950978.db2.gz UVWWWYCCFRMOOV-RTBURBONSA-N 1 3 349.519 2.129 20 30 EEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639726 800950981 /nfs/dbraw/zinc/95/09/81/800950981.db2.gz UVWWWYCCFRMOOV-RTBURBONSA-N 1 3 349.519 2.129 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001183759902 801724084 /nfs/dbraw/zinc/72/40/84/801724084.db2.gz QMQGEHQGTMYZCF-MRXNPFEDSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001183759902 801724094 /nfs/dbraw/zinc/72/40/94/801724094.db2.gz QMQGEHQGTMYZCF-MRXNPFEDSA-N 1 3 346.450 2.118 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086500337 803131893 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CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177415595 798932796 /nfs/dbraw/zinc/93/27/96/798932796.db2.gz DZXHZDVQHIWODT-SFHVURJKSA-N 1 3 333.520 2.350 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004619034 802496135 /nfs/dbraw/zinc/49/61/35/802496135.db2.gz JPKIYNGMKXWOLV-OALUTQOASA-N 1 3 331.504 2.197 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004619034 802496138 /nfs/dbraw/zinc/49/61/38/802496138.db2.gz JPKIYNGMKXWOLV-OALUTQOASA-N 1 3 331.504 2.197 20 30 EEEDHO N#Cc1ncncc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528182 812270259 /nfs/dbraw/zinc/27/02/59/812270259.db2.gz JXBPKJXDRQRDCL-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001438408160 1090895604 /nfs/dbraw/zinc/89/56/04/1090895604.db2.gz ZSRLKBPYNRSDFF-UHFFFAOYSA-N 1 3 348.516 2.480 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1C ZINC001507329851 1115195393 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C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000293871008 464424220 /nfs/dbraw/zinc/42/42/20/464424220.db2.gz FEVRSZFVVZLOPP-ICSRJNTNSA-N 1 3 336.439 2.185 20 30 EEEDHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000293871008 464424227 /nfs/dbraw/zinc/42/42/27/464424227.db2.gz FEVRSZFVVZLOPP-ICSRJNTNSA-N 1 3 336.439 2.185 20 30 EEEDHO CCOCCCNC(=[NH2+])NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304648828 466307531 /nfs/dbraw/zinc/30/75/31/466307531.db2.gz XQWNSXLXGMAGRU-GDBMZVCRSA-N 1 3 338.521 2.462 20 30 EEEDHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373977 466732571 /nfs/dbraw/zinc/73/25/71/466732571.db2.gz CAJAOBKTXPUZGR-HOTGVXAUSA-N 1 3 340.393 2.435 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000417057946 466766563 /nfs/dbraw/zinc/76/65/63/466766563.db2.gz CTLGLYLPKDOITO-FGTMMUONSA-N 1 3 336.524 2.372 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000417535549 466879279 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C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC001023127712 679135666 /nfs/dbraw/zinc/13/56/66/679135666.db2.gz AYUWTDPDROJVOL-PKOFMYQESA-N 1 3 343.515 2.005 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001023761820 679567669 /nfs/dbraw/zinc/56/76/69/679567669.db2.gz JXBFHUZHZVJMIO-SFHVURJKSA-N 1 3 331.504 2.126 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001023761820 679567670 /nfs/dbraw/zinc/56/76/70/679567670.db2.gz JXBFHUZHZVJMIO-SFHVURJKSA-N 1 3 331.504 2.126 20 30 EEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC001024478536 679951409 /nfs/dbraw/zinc/95/14/09/679951409.db2.gz SPRVEURRMPQDSJ-RBUKOAKNSA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC001024478536 679951404 /nfs/dbraw/zinc/95/14/04/679951404.db2.gz SPRVEURRMPQDSJ-RBUKOAKNSA-N 1 3 349.519 2.177 20 30 EEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755572 682109689 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CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001666652274 1355559942 /nfs/dbraw/zinc/55/99/42/1355559942.db2.gz OZUSRWAXAZXRAF-MAUKXSAKSA-N 1 3 349.906 2.374 20 30 EEEDHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001389350460 1388066064 /nfs/dbraw/zinc/06/60/64/1388066064.db2.gz PLKGIIGJVQQYEN-HUUCEWRRSA-N 1 3 327.900 2.440 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099265421 1370995208 /nfs/dbraw/zinc/99/52/08/1370995208.db2.gz IYEOUPINDIPFNT-BFHYXJOUSA-N 1 3 333.398 2.026 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099265421 1370995212 /nfs/dbraw/zinc/99/52/12/1370995212.db2.gz IYEOUPINDIPFNT-BFHYXJOUSA-N 1 3 333.398 2.026 20 30 EEEDHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ccccc1C#N ZINC001379186525 1380624435 /nfs/dbraw/zinc/62/44/35/1380624435.db2.gz ZQQWLYRXMLLXKZ-RBUKOAKNSA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001382358813 1382085690 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348.466 2.268 20 30 EEEDHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCc1ccc(C#N)s1 ZINC001755118622 1407129473 /nfs/dbraw/zinc/12/94/73/1407129473.db2.gz JKXYSJYAEZGHGI-WMLDXEAASA-N 1 3 348.516 2.288 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001755749436 1407807558 /nfs/dbraw/zinc/80/75/58/1407807558.db2.gz JDEVLRCPDAGGSU-VQIMIIECSA-N 1 3 327.472 2.260 20 30 EEEDHO C=CCN[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755852301 1407905283 /nfs/dbraw/zinc/90/52/83/1407905283.db2.gz RJNHQFFOFUMUNY-KGLIPLIRSA-N 1 3 335.414 2.273 20 30 EEEDHO C=CCN[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C(F)(F)F ZINC001755852301 1407905284 /nfs/dbraw/zinc/90/52/84/1407905284.db2.gz RJNHQFFOFUMUNY-KGLIPLIRSA-N 1 3 335.414 2.273 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CN(C)CCCCCC)[C@H](O)C1 ZINC001100038702 1410514988 /nfs/dbraw/zinc/51/49/88/1410514988.db2.gz LTCHHBRXWSGISP-ZWKOTPCHSA-N 1 3 339.524 2.016 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN(C)CCCCCC)[C@H](O)C1 ZINC001100038702 1410514993 /nfs/dbraw/zinc/51/49/93/1410514993.db2.gz LTCHHBRXWSGISP-ZWKOTPCHSA-N 1 3 339.524 2.016 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001100677034 1410694480 /nfs/dbraw/zinc/69/44/80/1410694480.db2.gz WSVZTDXYGDJKEY-NFOMZHRRSA-N 1 3 346.500 2.088 20 30 EEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167236899 757548179 /nfs/dbraw/zinc/54/81/79/757548179.db2.gz RRIKCIPAIMDXBM-UHFFFAOYSA-N 1 3 327.900 2.347 20 30 EEEDHO C=CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001075410489 759377421 /nfs/dbraw/zinc/37/74/21/759377421.db2.gz CODAWNQOIOWLBA-QUCCMNQESA-N 1 3 349.519 2.033 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397019 783008642 /nfs/dbraw/zinc/00/86/42/783008642.db2.gz VWLNENQSJBGHRF-HBFSDRIKSA-N 1 3 333.520 2.156 20 30 EEEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297862 775388249 /nfs/dbraw/zinc/38/82/49/775388249.db2.gz 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C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCC3CC3)CC2)CC1 ZINC000997874006 791321138 /nfs/dbraw/zinc/32/11/38/791321138.db2.gz IYONUPZGYPRFPR-KRWDZBQOSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001086882728 792893621 /nfs/dbraw/zinc/89/36/21/792893621.db2.gz IFWBHENPSFJQSN-ARFHVFGLSA-N 1 3 327.900 2.488 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942630 793035020 /nfs/dbraw/zinc/03/50/20/793035020.db2.gz WZGNYAFUWCPBBZ-ROUUACIJSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC3(C[C@H]2C)CC[NH+](CC=C)CC3)CC1 ZINC001086958015 793102725 /nfs/dbraw/zinc/10/27/25/793102725.db2.gz BICXJXGQPYOTBP-GOSISDBHSA-N 1 3 343.515 2.221 20 30 EEEDHO CC#CCN1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992316030 793641347 /nfs/dbraw/zinc/64/13/47/793641347.db2.gz LSCCSBCTEABLPB-FPOVZHCZSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092189999 793652175 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1 3 349.519 2.033 20 30 EEEDHO C=CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](OC)C1 ZINC001081673051 796846802 /nfs/dbraw/zinc/84/68/02/796846802.db2.gz VGBRNOLCTDAOFT-QXAKKESOSA-N 1 3 349.519 2.033 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494885 798094338 /nfs/dbraw/zinc/09/43/38/798094338.db2.gz FWDNIIRKHKWIGA-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494885 798094345 /nfs/dbraw/zinc/09/43/45/798094345.db2.gz FWDNIIRKHKWIGA-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CCC2CC2)CC1 ZINC001176738687 798543534 /nfs/dbraw/zinc/54/35/34/798543534.db2.gz RMVHUTIIIQWMIV-QGZVFWFLSA-N 1 3 333.520 2.396 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001176925909 798630441 /nfs/dbraw/zinc/63/04/41/798630441.db2.gz DJNINMPKZZQGOP-UHFFFAOYSA-N 1 3 345.462 2.075 20 30 EEEDHO C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001179071108 799769060 /nfs/dbraw/zinc/76/90/60/799769060.db2.gz ADDKIEDRGHYYKE-QPIRBTGLSA-N 1 3 349.519 2.082 20 30 EEEDHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1CNCc1ccccc1C#N ZINC001185072936 802336871 /nfs/dbraw/zinc/33/68/71/802336871.db2.gz LBTGWRHWOZAHEK-SJLPKXTDSA-N 1 3 342.487 2.084 20 30 EEEDHO N#Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001170526203 812245411 /nfs/dbraw/zinc/24/54/11/812245411.db2.gz WFKDDVMLUHLIGA-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001436401903 1087749500 /nfs/dbraw/zinc/74/95/00/1087749500.db2.gz SZRISLHYBZRYFT-FHWLQOOXSA-N 1 3 342.487 2.129 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198552 1096477857 /nfs/dbraw/zinc/47/78/57/1096477857.db2.gz HAPHTQIIXGLJSC-CABCVRRESA-N 1 3 348.516 2.479 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340747 1097858584 /nfs/dbraw/zinc/85/85/84/1097858584.db2.gz KNBXIZSBAXRFBO-LJQANCHMSA-N 1 3 342.487 2.180 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340747 1097858590 /nfs/dbraw/zinc/85/85/90/1097858590.db2.gz KNBXIZSBAXRFBO-LJQANCHMSA-N 1 3 342.487 2.180 20 30 EEEDHO C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192797 1102197275 /nfs/dbraw/zinc/19/72/75/1102197275.db2.gz FABRBTCMOPWWCN-HNNXBMFYSA-N 1 3 348.516 2.288 20 30 EEEDHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001508118373 1115422899 /nfs/dbraw/zinc/42/28/99/1115422899.db2.gz KBPKCPGFRLCMNV-MHJFOBGBSA-N 1 3 339.483 2.101 20 30 EEEDHO CCOC(=O)C1([C@H](C)NCc2ccc(C#N)c(F)c2)CC[NH2+]CC1 ZINC000423160071 240389476 /nfs/dbraw/zinc/38/94/76/240389476.db2.gz GTAZWIZSSNNMIR-ZDUSSCGKSA-N 1 3 333.407 2.108 20 30 EEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042826 285250826 /nfs/dbraw/zinc/25/08/26/285250826.db2.gz WNNJXEHBYIQBAF-LJQANCHMSA-N 1 3 344.503 2.415 20 30 EEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042826 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C#CCN1CCC([C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001047247820 1235743706 /nfs/dbraw/zinc/74/37/06/1235743706.db2.gz MJYVABLYJLFJOA-LJQANCHMSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC)CC1 ZINC001048589859 1238040778 /nfs/dbraw/zinc/04/07/78/1238040778.db2.gz BRHMFWAOADJUSE-FNLKRUPLSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001048589859 1238040786 /nfs/dbraw/zinc/04/07/86/1238040786.db2.gz BRHMFWAOADJUSE-FNLKRUPLSA-N 1 3 345.531 2.491 20 30 EEEDHO C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837263 1242367864 /nfs/dbraw/zinc/36/78/64/1242367864.db2.gz ANXWYKWKHBCUSW-RTBURBONSA-N 1 3 331.504 2.360 20 30 EEEDHO CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050066362 1242764725 /nfs/dbraw/zinc/76/47/25/1242764725.db2.gz ICXAZMONUUMJFG-IPMKNSEASA-N 1 3 331.504 2.195 20 30 EEEDHO CC#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 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ZINC001158034559 1318978717 /nfs/dbraw/zinc/97/87/17/1318978717.db2.gz FQCGJLUPIBBGBA-UONOGXRCSA-N 1 3 345.447 2.002 20 30 EEEDHO C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203773601 1321958255 /nfs/dbraw/zinc/95/82/55/1321958255.db2.gz VZWNLUNNOIQEET-RBUKOAKNSA-N 1 3 339.483 2.402 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001205654051 1323230780 /nfs/dbraw/zinc/23/07/80/1323230780.db2.gz WDBNHLJGLMFURD-UHOSZYNNSA-N 1 3 345.462 2.073 20 30 EEEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540757 1324012700 /nfs/dbraw/zinc/01/27/00/1324012700.db2.gz CKRWHIBQYCIPBW-QRQLOZEOSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540757 1324012706 /nfs/dbraw/zinc/01/27/06/1324012706.db2.gz CKRWHIBQYCIPBW-QRQLOZEOSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001207540756 1324013181 /nfs/dbraw/zinc/01/31/81/1324013181.db2.gz CKRWHIBQYCIPBW-BHIYHBOVSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001207540756 1324013188 /nfs/dbraw/zinc/01/31/88/1324013188.db2.gz CKRWHIBQYCIPBW-BHIYHBOVSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001342417176 1337316367 /nfs/dbraw/zinc/31/63/67/1337316367.db2.gz ZTHPEIIHXPAHHU-UHFFFAOYSA-N 1 3 346.523 2.051 20 30 EEEDHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001666652273 1355559956 /nfs/dbraw/zinc/55/99/56/1355559956.db2.gz OZUSRWAXAZXRAF-CRAIPNDOSA-N 1 3 349.906 2.374 20 30 EEEDHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001675786661 1357049249 /nfs/dbraw/zinc/04/92/49/1357049249.db2.gz VSEGLNHFZALALN-VAMGGRTRSA-N 1 3 341.499 2.109 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001381212653 1381561519 /nfs/dbraw/zinc/56/15/19/1381561519.db2.gz ARLBMTBIGAKFKG-ZDUSSCGKSA-N 1 3 348.329 2.357 20 30 EEEDHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C#N)cc1 ZINC001390901462 1388861199 /nfs/dbraw/zinc/86/11/99/1388861199.db2.gz TXQRJLOHLPMMSA-IBGZPJMESA-N 1 3 342.487 2.369 20 30 EEEDHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C#N)cc1 ZINC001390901462 1388861202 /nfs/dbraw/zinc/86/12/02/1388861202.db2.gz TXQRJLOHLPMMSA-IBGZPJMESA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001393392042 1390424092 /nfs/dbraw/zinc/42/40/92/1390424092.db2.gz QEJQNSRBUUPSBI-QFBILLFUSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001393392042 1390424095 /nfs/dbraw/zinc/42/40/95/1390424095.db2.gz QEJQNSRBUUPSBI-QFBILLFUSA-N 1 3 342.487 2.227 20 30 EEEDHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001401945160 1397682212 /nfs/dbraw/zinc/68/22/12/1397682212.db2.gz QTBGMLSPNDSUDM-SFHVURJKSA-N 1 3 340.471 2.169 20 30 EEEDHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001424320373 1401058835 /nfs/dbraw/zinc/05/88/35/1401058835.db2.gz LAFDYKZPWUKTFX-QGZVFWFLSA-N 1 3 342.487 2.180 20 30 EEEDHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001424320373 1401058844 /nfs/dbraw/zinc/05/88/44/1401058844.db2.gz LAFDYKZPWUKTFX-QGZVFWFLSA-N 1 3 342.487 2.180 20 30 EEEDHO N#Cc1cnc2ccccc2c1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC001580081587 1403822847 /nfs/dbraw/zinc/82/28/47/1403822847.db2.gz NLAWFPQXVBAMMM-MRXNPFEDSA-N 1 3 335.455 2.228 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730149 1411043401 /nfs/dbraw/zinc/04/34/01/1411043401.db2.gz DDHNBQPZZDEOPD-UKRRQHHQSA-N 1 3 327.900 2.345 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730149 1411043391 /nfs/dbraw/zinc/04/33/91/1411043391.db2.gz DDHNBQPZZDEOPD-UKRRQHHQSA-N 1 3 327.900 2.345 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC)[C@@H]2CC)CC1 ZINC001087840397 782348968 /nfs/dbraw/zinc/34/89/68/782348968.db2.gz WARNSAYDOPDXJF-NZSAHSFTSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)[C@@H]2CC)CC1 ZINC001087840397 782348979 /nfs/dbraw/zinc/34/89/79/782348979.db2.gz WARNSAYDOPDXJF-NZSAHSFTSA-N 1 3 333.520 2.347 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210789668 758129424 /nfs/dbraw/zinc/12/94/24/758129424.db2.gz QERCGUMOVJXVAL-QGZVFWFLSA-N 1 3 346.450 2.120 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461553 760933144 /nfs/dbraw/zinc/93/31/44/760933144.db2.gz KZSKBSVIEZUDNJ-LJQANCHMSA-N 1 3 345.531 2.446 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461553 760933153 /nfs/dbraw/zinc/93/31/53/760933153.db2.gz KZSKBSVIEZUDNJ-LJQANCHMSA-N 1 3 345.531 2.446 20 30 EEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638424 773644296 /nfs/dbraw/zinc/64/42/96/773644296.db2.gz BRZMOPDRNULBPN-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001089638424 773644302 /nfs/dbraw/zinc/64/43/02/773644302.db2.gz BRZMOPDRNULBPN-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC000982305547 779655033 /nfs/dbraw/zinc/65/50/33/779655033.db2.gz UZUBWCXMQAWYMA-BGYRXZFFSA-N 1 3 343.515 2.056 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001028333797 780785720 /nfs/dbraw/zinc/78/57/20/780785720.db2.gz RHAMVNYQLYHAQW-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001028333797 780785722 /nfs/dbraw/zinc/78/57/22/780785722.db2.gz RHAMVNYQLYHAQW-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1cccc(C#N)c1)C(C)C ZINC001135477628 783867814 /nfs/dbraw/zinc/86/78/14/783867814.db2.gz LTPQQKFPQQYEON-GOSISDBHSA-N 1 3 330.476 2.130 20 30 EEEDHO C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882903 784699836 /nfs/dbraw/zinc/69/98/36/784699836.db2.gz VMWXJDJDVUDBKK-STQMWFEESA-N 1 3 334.302 2.110 20 30 EEEDHO C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882903 784699844 /nfs/dbraw/zinc/69/98/44/784699844.db2.gz VMWXJDJDVUDBKK-STQMWFEESA-N 1 3 334.302 2.110 20 30 EEEDHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1)N(C)C ZINC000996315685 786254671 /nfs/dbraw/zinc/25/46/71/786254671.db2.gz SQEPKIVMLITYJZ-JKSUJKDBSA-N 1 3 348.516 2.287 20 30 EEEDHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)C1CC1 ZINC000996676816 787109327 /nfs/dbraw/zinc/10/93/27/787109327.db2.gz IVDHISKHSRVJDT-QGZVFWFLSA-N 1 3 346.500 2.041 20 30 EEEDHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000996994416 788387420 /nfs/dbraw/zinc/38/74/20/788387420.db2.gz HYESMRKHXBZBPU-MRXNPFEDSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000996994416 788387424 /nfs/dbraw/zinc/38/74/24/788387424.db2.gz HYESMRKHXBZBPU-MRXNPFEDSA-N 1 3 340.471 2.123 20 30 EEEDHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000999366398 794367824 /nfs/dbraw/zinc/36/78/24/794367824.db2.gz XZYCGUSFWJVAFH-SFHVURJKSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992504036 794433338 /nfs/dbraw/zinc/43/33/38/794433338.db2.gz GAWCYIOWCOLCCO-CTNGQTDRSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992504036 794433343 /nfs/dbraw/zinc/43/33/43/794433343.db2.gz GAWCYIOWCOLCCO-CTNGQTDRSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC(C)C)CC3)CC1 ZINC000992502225 794436240 /nfs/dbraw/zinc/43/62/40/794436240.db2.gz BBEULVHARCPPND-CTNGQTDRSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC(C)C)CC3)CC1 ZINC000992502225 794436250 /nfs/dbraw/zinc/43/62/50/794436250.db2.gz BBEULVHARCPPND-CTNGQTDRSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380253 795118593 /nfs/dbraw/zinc/11/85/93/795118593.db2.gz VBYNPAFZIWTBHX-RBUKOAKNSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380253 795118597 /nfs/dbraw/zinc/11/85/97/795118597.db2.gz VBYNPAFZIWTBHX-RBUKOAKNSA-N 1 3 345.531 2.443 20 30 EEEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384031 795127961 /nfs/dbraw/zinc/12/79/61/795127961.db2.gz SZEQBDDMSPYHCT-LJQANCHMSA-N 1 3 331.504 2.361 20 30 EEEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384031 795127965 /nfs/dbraw/zinc/12/79/65/795127965.db2.gz SZEQBDDMSPYHCT-LJQANCHMSA-N 1 3 331.504 2.361 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471076 798050195 /nfs/dbraw/zinc/05/01/95/798050195.db2.gz AKNDASOJFVAUCR-IEBWSBKVSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471076 798050204 /nfs/dbraw/zinc/05/02/04/798050204.db2.gz AKNDASOJFVAUCR-IEBWSBKVSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089385854 798301087 /nfs/dbraw/zinc/30/10/87/798301087.db2.gz KHHFKOIRLRFBFF-KRWDZBQOSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC(C)(C)C1 ZINC001089385854 798301095 /nfs/dbraw/zinc/30/10/95/798301095.db2.gz KHHFKOIRLRFBFF-KRWDZBQOSA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663310 798354860 /nfs/dbraw/zinc/35/48/60/798354860.db2.gz WOGVCUXZDHRXFJ-MDZRGWNJSA-N 1 3 337.483 2.308 20 30 EEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663310 798354864 /nfs/dbraw/zinc/35/48/64/798354864.db2.gz WOGVCUXZDHRXFJ-MDZRGWNJSA-N 1 3 337.483 2.308 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404316 798410828 /nfs/dbraw/zinc/41/08/28/798410828.db2.gz VVQMMSYTKCPTBS-MSOLQXFVSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404316 798410833 /nfs/dbraw/zinc/41/08/33/798410833.db2.gz VVQMMSYTKCPTBS-MSOLQXFVSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001176926867 798631215 /nfs/dbraw/zinc/63/12/15/798631215.db2.gz YEZUNGBNTBGIGG-UHFFFAOYSA-N 1 3 345.462 2.075 20 30 EEEDHO N#Cc1ccc(F)c(CNCCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001176930559 798634266 /nfs/dbraw/zinc/63/42/66/798634266.db2.gz LNXFDPZVNWCHGX-UHFFFAOYSA-N 1 3 346.450 2.169 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176986320 798675497 /nfs/dbraw/zinc/67/54/97/798675497.db2.gz KRNHATLDUXYETD-LJQANCHMSA-N 1 3 345.462 2.148 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001177484304 798976577 /nfs/dbraw/zinc/97/65/77/798976577.db2.gz AZRDAEPFRLQASE-ROUUACIJSA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCOCC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179592932 799999046 /nfs/dbraw/zinc/99/90/46/799999046.db2.gz QJTYWPGKPYPPJU-UHFFFAOYSA-N 1 3 339.524 2.187 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001086175350 802394882 /nfs/dbraw/zinc/39/48/82/802394882.db2.gz SBLGSIAPNXDUFZ-HRCADAONSA-N 1 3 327.900 2.345 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086175350 802394890 /nfs/dbraw/zinc/39/48/90/802394890.db2.gz SBLGSIAPNXDUFZ-HRCADAONSA-N 1 3 327.900 2.345 20 30 EEEDHO C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001131562155 812971970 /nfs/dbraw/zinc/97/19/70/812971970.db2.gz MOEALBFHBOSUFE-HQRMLTQVSA-N 1 3 349.519 2.033 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114825 1093176638 /nfs/dbraw/zinc/17/66/38/1093176638.db2.gz FMUZOXHSQBLVKK-QFBILLFUSA-N 1 3 342.487 2.227 20 30 EEEDHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001440664983 1093932347 /nfs/dbraw/zinc/93/23/47/1093932347.db2.gz KZNOHYCQMDDKCR-HNNXBMFYSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CCN1CCC(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000066921735 462946444 /nfs/dbraw/zinc/94/64/44/462946444.db2.gz CQDXUHHUIAIMOF-IRXDYDNUSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448501 463292335 /nfs/dbraw/zinc/29/23/35/463292335.db2.gz FCJYMSWXSYFYPJ-XLIONFOSSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448501 463292342 /nfs/dbraw/zinc/29/23/42/463292342.db2.gz FCJYMSWXSYFYPJ-XLIONFOSSA-N 1 3 339.483 2.111 20 30 EEEDHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185885673 463898589 /nfs/dbraw/zinc/89/85/89/463898589.db2.gz NUIISCNAHIWOFJ-FUHWJXTLSA-N 1 3 328.460 2.150 20 30 EEEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000171703612 463909220 /nfs/dbraw/zinc/90/92/20/463909220.db2.gz QYYKOWPWXBNRNR-UHFFFAOYSA-N 1 3 330.476 2.198 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1sccc1Br ZINC000262001149 463923174 /nfs/dbraw/zinc/92/31/74/463923174.db2.gz PVGMERNINRRXIQ-SNVBAGLBSA-N 1 3 345.310 2.399 20 30 EEEDHO CC[C@@H](CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)N1CCCC1 ZINC000264120863 464285645 /nfs/dbraw/zinc/28/56/45/464285645.db2.gz UXBXTUJZIQIYSE-INIZCTEOSA-N 1 3 348.491 2.025 20 30 EEEDHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000281791969 464587613 /nfs/dbraw/zinc/58/76/13/464587613.db2.gz UPLCCGCJFWDXAR-MSOLQXFVSA-N 1 3 329.444 2.034 20 30 EEEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@H](O)C1)NC1CCCCCC1 ZINC000272734623 464686255 /nfs/dbraw/zinc/68/62/55/464686255.db2.gz BCLIPLKYPMRGDS-IBGZPJMESA-N 1 3 344.503 2.380 20 30 EEEDHO C#CCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364369471 466697579 /nfs/dbraw/zinc/69/75/79/466697579.db2.gz CXOJRUPTAPYRGT-KRWDZBQOSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCCN1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364369471 466697582 /nfs/dbraw/zinc/69/75/82/466697582.db2.gz CXOJRUPTAPYRGT-KRWDZBQOSA-N 1 3 331.504 2.245 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000417057949 466766419 /nfs/dbraw/zinc/76/64/19/466766419.db2.gz CTLGLYLPKDOITO-RCCFBDPRSA-N 1 3 336.524 2.372 20 30 EEEDHO C[N@H+](CCCO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433369754 467323880 /nfs/dbraw/zinc/32/38/80/467323880.db2.gz ZLCWVCBVOBPONQ-GOSISDBHSA-N 1 3 343.471 2.064 20 30 EEEDHO C[N@@H+](CCCO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433369754 467323883 /nfs/dbraw/zinc/32/38/83/467323883.db2.gz ZLCWVCBVOBPONQ-GOSISDBHSA-N 1 3 343.471 2.064 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000519302687 468152085 /nfs/dbraw/zinc/15/20/85/468152085.db2.gz LNYQJIMSIVKPTR-UHFFFAOYSA-N 1 3 336.524 2.399 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000519302687 468152092 /nfs/dbraw/zinc/15/20/92/468152092.db2.gz LNYQJIMSIVKPTR-UHFFFAOYSA-N 1 3 336.524 2.399 20 30 EEEDHO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000598720556 468973728 /nfs/dbraw/zinc/97/37/28/468973728.db2.gz OYHDLHUDKJMXEX-IBGZPJMESA-N 1 3 345.487 2.034 20 30 EEEDHO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000764468421 577736831 /nfs/dbraw/zinc/73/68/31/577736831.db2.gz JBSHIWHPESFTAT-FXAWDEMLSA-N 1 3 342.487 2.047 20 30 EEEDHO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000764468421 577736832 /nfs/dbraw/zinc/73/68/32/577736832.db2.gz JBSHIWHPESFTAT-FXAWDEMLSA-N 1 3 342.487 2.047 20 30 EEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461202 675911109 /nfs/dbraw/zinc/91/11/09/675911109.db2.gz ZIBWWSJTVHBSAL-AHRSYUTCSA-N 1 3 341.499 2.344 20 30 EEEDHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461202 675911112 /nfs/dbraw/zinc/91/11/12/675911112.db2.gz ZIBWWSJTVHBSAL-AHRSYUTCSA-N 1 3 341.499 2.344 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C)C2)CC1 ZINC001021090354 675716250 /nfs/dbraw/zinc/71/62/50/675716250.db2.gz TYJAETMPDFYHHK-MXVIHJGJSA-N 1 3 339.483 2.077 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667387 676321679 /nfs/dbraw/zinc/32/16/79/676321679.db2.gz DFSAEBPJXKLBDY-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667387 676321680 /nfs/dbraw/zinc/32/16/80/676321680.db2.gz DFSAEBPJXKLBDY-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682770 676338593 /nfs/dbraw/zinc/33/85/93/676338593.db2.gz TWHMCENPQDOMKF-OALUTQOASA-N 1 3 331.504 2.055 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795129 676799970 /nfs/dbraw/zinc/79/99/70/676799970.db2.gz PHPQTGGTUWFVCA-OALUTQOASA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795129 676799972 /nfs/dbraw/zinc/79/99/72/676799972.db2.gz PHPQTGGTUWFVCA-OALUTQOASA-N 1 3 340.471 2.075 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763242 679567565 /nfs/dbraw/zinc/56/75/65/679567565.db2.gz GQHIDAMMGSIOLU-QGZVFWFLSA-N 1 3 327.472 2.213 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC000982623669 681817393 /nfs/dbraw/zinc/81/73/93/681817393.db2.gz KVVQQZOCSFDXJB-SESVDKBCSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC000982623669 681817401 /nfs/dbraw/zinc/81/74/01/681817401.db2.gz KVVQQZOCSFDXJB-SESVDKBCSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245966 682314088 /nfs/dbraw/zinc/31/40/88/682314088.db2.gz AUJSIEIPTDVVBF-RTBURBONSA-N 1 3 343.515 2.484 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001029002987 682648799 /nfs/dbraw/zinc/64/87/99/682648799.db2.gz GBOOONASKMLFQJ-QGZVFWFLSA-N 1 3 333.520 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001029002987 682648802 /nfs/dbraw/zinc/64/88/02/682648802.db2.gz GBOOONASKMLFQJ-QGZVFWFLSA-N 1 3 333.520 2.206 20 30 EEEDHO C[N@@H+]1CC[C@H](C(=O)NC2CCC(NCc3ccccc3C#N)CC2)C1 ZINC001026605130 684782092 /nfs/dbraw/zinc/78/20/92/684782092.db2.gz DSUJZQYTTFMJJI-VIQWUECVSA-N 1 3 340.471 2.027 20 30 EEEDHO C[N@H+]1CC[C@H](C(=O)NC2CCC(NCc3ccccc3C#N)CC2)C1 ZINC001026605130 684782095 /nfs/dbraw/zinc/78/20/95/684782095.db2.gz DSUJZQYTTFMJJI-VIQWUECVSA-N 1 3 340.471 2.027 20 30 EEEDHO C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262620198 687605506 /nfs/dbraw/zinc/60/55/06/687605506.db2.gz CNEUXSCKBZPPKE-OAHLLOKOSA-N 1 3 335.521 2.396 20 30 EEEDHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001481455512 1181402428 /nfs/dbraw/zinc/40/24/28/1181402428.db2.gz AMNCNCYOCQHDQA-HNNXBMFYSA-N 1 3 348.516 2.290 20 30 EEEDHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001481455512 1181402432 /nfs/dbraw/zinc/40/24/32/1181402432.db2.gz AMNCNCYOCQHDQA-HNNXBMFYSA-N 1 3 348.516 2.290 20 30 EEEDHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000876723911 1199741152 /nfs/dbraw/zinc/74/11/52/1199741152.db2.gz ZTJMDLQOWGWOTH-SJORKVTESA-N 1 3 335.879 2.409 20 30 EEEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132824891 1200074142 /nfs/dbraw/zinc/07/41/42/1200074142.db2.gz WRMPKCUTTKPLBI-MSOLQXFVSA-N 1 3 333.520 2.348 20 30 EEEDHO CCN(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000303778914 1213904730 /nfs/dbraw/zinc/90/47/30/1213904730.db2.gz KCBSIQYKOGLOMA-MOPGFXCFSA-N 1 3 345.535 2.458 20 30 EEEDHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2cccc(C#N)c2)C1 ZINC001412949510 1216145743 /nfs/dbraw/zinc/14/57/43/1216145743.db2.gz VGFVFQJCWYJLMI-OALUTQOASA-N 1 3 331.460 2.024 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC000960715941 1216827127 /nfs/dbraw/zinc/82/71/27/1216827127.db2.gz FTMHTEQNJKKUNS-RTBURBONSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC000960715941 1216827133 /nfs/dbraw/zinc/82/71/33/1216827133.db2.gz FTMHTEQNJKKUNS-RTBURBONSA-N 1 3 342.487 2.321 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189418 1217078001 /nfs/dbraw/zinc/07/80/01/1217078001.db2.gz ZDKRYVYRNLDRKQ-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961189418 1217078003 /nfs/dbraw/zinc/07/80/03/1217078003.db2.gz ZDKRYVYRNLDRKQ-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410273 1217179166 /nfs/dbraw/zinc/17/91/66/1217179166.db2.gz GFGICTPXYGCLDC-MJGOQNOKSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410273 1217179169 /nfs/dbraw/zinc/17/91/69/1217179169.db2.gz GFGICTPXYGCLDC-MJGOQNOKSA-N 1 3 333.520 2.465 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315510 1217508296 /nfs/dbraw/zinc/50/82/96/1217508296.db2.gz UTEXWVYXXLCXHZ-ROUUACIJSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315510 1217508302 /nfs/dbraw/zinc/50/83/02/1217508302.db2.gz UTEXWVYXXLCXHZ-ROUUACIJSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001020214024 1229558512 /nfs/dbraw/zinc/55/85/12/1229558512.db2.gz DWIANIIMWURDAI-IHRRRGAJSA-N 1 3 344.297 2.006 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001020214024 1229558515 /nfs/dbraw/zinc/55/85/15/1229558515.db2.gz DWIANIIMWURDAI-IHRRRGAJSA-N 1 3 344.297 2.006 20 30 EEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038718497 1229994962 /nfs/dbraw/zinc/99/49/62/1229994962.db2.gz TYDBLMPNMYGELQ-ZCNNSNEGSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038718497 1229994966 /nfs/dbraw/zinc/99/49/66/1229994966.db2.gz TYDBLMPNMYGELQ-ZCNNSNEGSA-N 1 3 341.499 2.489 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001040901626 1231401098 /nfs/dbraw/zinc/40/10/98/1231401098.db2.gz OBPJUCFTVYBKPZ-UHFFFAOYSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[NH+]1CCC2(CCN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC001040947759 1231408336 /nfs/dbraw/zinc/40/83/36/1231408336.db2.gz DBBSZYXUILSUSA-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285704 1231495407 /nfs/dbraw/zinc/49/54/07/1231495407.db2.gz GZJWBSNXQBPRPX-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285704 1231495408 /nfs/dbraw/zinc/49/54/08/1231495408.db2.gz GZJWBSNXQBPRPX-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723886 1231662144 /nfs/dbraw/zinc/66/21/44/1231662144.db2.gz LWFIKDGZKYXVCU-UYAOXDASSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723886 1231662147 /nfs/dbraw/zinc/66/21/47/1231662147.db2.gz LWFIKDGZKYXVCU-UYAOXDASSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782583 1231692116 /nfs/dbraw/zinc/69/21/16/1231692116.db2.gz AQFGJVQUQRTPPC-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782583 1231692118 /nfs/dbraw/zinc/69/21/18/1231692118.db2.gz AQFGJVQUQRTPPC-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845579 1231729031 /nfs/dbraw/zinc/72/90/31/1231729031.db2.gz ISBFYTRPEJNYSO-UYAOXDASSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046849332 1235246632 /nfs/dbraw/zinc/24/66/32/1235246632.db2.gz CWPBHZFHXLVUFS-NRFANRHFSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001046849332 1235246641 /nfs/dbraw/zinc/24/66/41/1235246641.db2.gz CWPBHZFHXLVUFS-NRFANRHFSA-N 1 3 345.531 2.348 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001000186726 1240041821 /nfs/dbraw/zinc/04/18/21/1240041821.db2.gz VWNDIWFVZAXECS-QFBILLFUSA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CCN1CCC(C2(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001000317844 1240164769 /nfs/dbraw/zinc/16/47/69/1240164769.db2.gz QWSHQIXCDDUIKC-HKUYNNGSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001050632407 1243995600 /nfs/dbraw/zinc/99/56/00/1243995600.db2.gz JQOOWMWNFKLGPQ-IBGZPJMESA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC001050632407 1243995607 /nfs/dbraw/zinc/99/56/07/1243995607.db2.gz JQOOWMWNFKLGPQ-IBGZPJMESA-N 1 3 343.515 2.341 20 30 EEEDHO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052704107 1244790779 /nfs/dbraw/zinc/79/07/79/1244790779.db2.gz ZSPNKBIXQVDUNC-CRAIPNDOSA-N 1 3 325.472 2.356 20 30 EEEDHO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052704107 1244790788 /nfs/dbraw/zinc/79/07/88/1244790788.db2.gz ZSPNKBIXQVDUNC-CRAIPNDOSA-N 1 3 325.472 2.356 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC001052957638 1245555535 /nfs/dbraw/zinc/55/55/35/1245555535.db2.gz IGGBCRLHWNYBFB-QZTJIDSGSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC001052957638 1245555543 /nfs/dbraw/zinc/55/55/43/1245555543.db2.gz IGGBCRLHWNYBFB-QZTJIDSGSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053096846 1245895572 /nfs/dbraw/zinc/89/55/72/1245895572.db2.gz ALAGMJPFLAVIBZ-SJLPKXTDSA-N 1 3 328.460 2.069 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053096846 1245895579 /nfs/dbraw/zinc/89/55/79/1245895579.db2.gz ALAGMJPFLAVIBZ-SJLPKXTDSA-N 1 3 328.460 2.069 20 30 EEEDHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001054058489 1247264246 /nfs/dbraw/zinc/26/42/46/1247264246.db2.gz NGWBKZDIEWZVFX-IBGZPJMESA-N 1 3 339.483 2.201 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174569 1247610640 /nfs/dbraw/zinc/61/06/40/1247610640.db2.gz ULGNSOYRHBACJW-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244843 1247858206 /nfs/dbraw/zinc/85/82/06/1247858206.db2.gz JUJLCOUWFKWHLP-FQEVSTJZSA-N 1 3 331.504 2.200 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001071175796 1254030861 /nfs/dbraw/zinc/03/08/61/1254030861.db2.gz LEGSEUVQFNIXRM-MJGOQNOKSA-N 1 3 349.519 2.129 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001071175796 1254030865 /nfs/dbraw/zinc/03/08/65/1254030865.db2.gz LEGSEUVQFNIXRM-MJGOQNOKSA-N 1 3 349.519 2.129 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001228054477 1302077224 /nfs/dbraw/zinc/07/72/24/1302077224.db2.gz RBSDGGOEKJNWSC-UHFFFAOYSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001228054477 1302077234 /nfs/dbraw/zinc/07/72/34/1302077234.db2.gz RBSDGGOEKJNWSC-UHFFFAOYSA-N 1 3 342.487 2.369 20 30 EEEDHO CCc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1C#N ZINC001278034749 1305754338 /nfs/dbraw/zinc/75/43/38/1305754338.db2.gz XCZHCFBBCTXPGM-PMACEKPBSA-N 1 3 326.488 2.331 20 30 EEEDHO CCc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1C#N ZINC001278034749 1305754346 /nfs/dbraw/zinc/75/43/46/1305754346.db2.gz XCZHCFBBCTXPGM-PMACEKPBSA-N 1 3 326.488 2.331 20 30 EEEDHO C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847709 1316065491 /nfs/dbraw/zinc/06/54/91/1316065491.db2.gz HVXYRAFTEOJSTK-IRXDYDNUSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847709 1316065498 /nfs/dbraw/zinc/06/54/98/1316065498.db2.gz HVXYRAFTEOJSTK-IRXDYDNUSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001150395677 1316256548 /nfs/dbraw/zinc/25/65/48/1316256548.db2.gz WELAPBKLFQPBAB-ROUUACIJSA-N 1 3 337.508 2.034 20 30 EEEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001150395677 1316256553 /nfs/dbraw/zinc/25/65/53/1316256553.db2.gz WELAPBKLFQPBAB-ROUUACIJSA-N 1 3 337.508 2.034 20 30 EEEDHO CC(C)[C@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)[NH+]1CCCC1 ZINC001152473676 1316676725 /nfs/dbraw/zinc/67/67/25/1316676725.db2.gz XVFYDJQHPXWVHB-GOSISDBHSA-N 1 3 346.450 2.024 20 30 EEEDHO C#CCCC1(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N=N1 ZINC001252951466 1317738561 /nfs/dbraw/zinc/73/85/61/1317738561.db2.gz NLAJMEQJDKMFHB-SFHVURJKSA-N 1 3 326.444 2.179 20 30 EEEDHO C#CCCC1(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)N=N1 ZINC001252951466 1317738566 /nfs/dbraw/zinc/73/85/66/1317738566.db2.gz NLAJMEQJDKMFHB-SFHVURJKSA-N 1 3 326.444 2.179 20 30 EEEDHO CC(=NCc1cccc(C[NH3+])c1)Nc1nc(Cl)nc2c1CNCC2 ZINC001163467041 1321133361 /nfs/dbraw/zinc/13/33/61/1321133361.db2.gz ZRXMKIKXXILALG-UHFFFAOYSA-N 1 3 344.850 2.265 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CC=C(C)C)C23CCC3)CC1 ZINC001203770538 1321957293 /nfs/dbraw/zinc/95/72/93/1321957293.db2.gz HDTFKIMRDKQFOE-RTBURBONSA-N 1 3 343.515 2.315 20 30 EEEDHO C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)CN(C)C1CCC1 ZINC001367360329 1374154764 /nfs/dbraw/zinc/15/47/64/1374154764.db2.gz QUNSJDFJABFHQH-CYBMUJFWSA-N 1 3 334.489 2.041 20 30 EEEDHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)N(C)C ZINC001367906425 1374305483 /nfs/dbraw/zinc/30/54/83/1374305483.db2.gz BAHQFMXKQWAZQC-DLBZAZTESA-N 1 3 348.516 2.190 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394043 1379201248 /nfs/dbraw/zinc/20/12/48/1379201248.db2.gz YCRUYBHRPCEGFH-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394043 1379201252 /nfs/dbraw/zinc/20/12/52/1379201252.db2.gz YCRUYBHRPCEGFH-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1)N(C)C ZINC001391825180 1389634874 /nfs/dbraw/zinc/63/48/74/1389634874.db2.gz BJXANBDCARFKPT-FHWLQOOXSA-N 1 3 342.487 2.415 20 30 EEEDHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001424303283 1401039092 /nfs/dbraw/zinc/03/90/92/1401039092.db2.gz WBGOIWSCYYGHCJ-GOSISDBHSA-N 1 3 330.476 2.179 20 30 EEEDHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001424303283 1401039097 /nfs/dbraw/zinc/03/90/97/1401039097.db2.gz WBGOIWSCYYGHCJ-GOSISDBHSA-N 1 3 330.476 2.179 20 30 EEEDHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001167628247 760773985 /nfs/dbraw/zinc/77/39/85/760773985.db2.gz YAPHJOHGLHTRIY-IBGZPJMESA-N 1 3 342.487 2.417 20 30 EEEDHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001167628247 760773997 /nfs/dbraw/zinc/77/39/97/760773997.db2.gz YAPHJOHGLHTRIY-IBGZPJMESA-N 1 3 342.487 2.417 20 30 EEEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001112529938 770344962 /nfs/dbraw/zinc/34/49/62/770344962.db2.gz WADBMAZCLKQCNX-VDGAXYAQSA-N 1 3 349.494 2.050 20 30 EEEDHO C=CCN1CC[C@@]2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531806 790357404 /nfs/dbraw/zinc/35/74/04/790357404.db2.gz IXONNERSDGYOLS-XLIONFOSSA-N 1 3 343.471 2.209 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(CC)CC)CC1 ZINC001028332969 780771953 /nfs/dbraw/zinc/77/19/53/780771953.db2.gz AFZLIBDISFMVKQ-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(CC)CC)CC1 ZINC001028332969 780771958 /nfs/dbraw/zinc/77/19/58/780771958.db2.gz AFZLIBDISFMVKQ-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089860926 780868766 /nfs/dbraw/zinc/86/87/66/780868766.db2.gz CNHLMQSXLACLII-MLHJIOFPSA-N 1 3 331.504 2.073 20 30 EEEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089860926 780868774 /nfs/dbraw/zinc/86/87/74/780868774.db2.gz CNHLMQSXLACLII-MLHJIOFPSA-N 1 3 331.504 2.073 20 30 EEEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793553 781606704 /nfs/dbraw/zinc/60/67/04/781606704.db2.gz IYTWDUOJNRGIBE-JENIJYKNSA-N 1 3 331.504 2.360 20 30 EEEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793553 781606708 /nfs/dbraw/zinc/60/67/08/781606708.db2.gz IYTWDUOJNRGIBE-JENIJYKNSA-N 1 3 331.504 2.360 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H](C)C1 ZINC001044797134 783434472 /nfs/dbraw/zinc/43/44/72/783434472.db2.gz PADHULIMQIXRLK-HZPDHXFCSA-N 1 3 327.900 2.440 20 30 EEEDHO C[NH+](C)Cc1ccc(C(=O)NCCNCc2ccc(C#N)s2)cc1 ZINC001135340666 783605707 /nfs/dbraw/zinc/60/57/07/783605707.db2.gz FNFJCIHCRQXNPS-UHFFFAOYSA-N 1 3 342.468 2.201 20 30 EEEDHO C[C@H](C[C@@H](C)NC(=O)C1CC[NH+](C)CC1)NCc1ccccc1C#N ZINC001135390631 783711374 /nfs/dbraw/zinc/71/13/74/783711374.db2.gz LUXXCPONAMMBBH-HZPDHXFCSA-N 1 3 342.487 2.273 20 30 EEEDHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001136032150 785015203 /nfs/dbraw/zinc/01/52/03/785015203.db2.gz WRMHNYUMACRWNQ-KBPBESRZSA-N 1 3 339.443 2.205 20 30 EEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035754666 785063760 /nfs/dbraw/zinc/06/37/60/785063760.db2.gz GMQCTFMZRCPDKJ-GOSISDBHSA-N 1 3 331.504 2.361 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC001203456190 788044431 /nfs/dbraw/zinc/04/44/31/788044431.db2.gz QXNDIOXFIXGFAO-UHFFFAOYSA-N 1 3 346.450 2.120 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595001 791366415 /nfs/dbraw/zinc/36/64/15/791366415.db2.gz WDBKYERTUJXSOI-KGLIPLIRSA-N 1 3 336.505 2.333 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001086934657 793074247 /nfs/dbraw/zinc/07/42/47/793074247.db2.gz WPMYYNCRAOTKTA-PKOBYXMFSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001086951195 793083038 /nfs/dbraw/zinc/08/30/38/793083038.db2.gz XBMWVIQVAKRXRF-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)N(C)C ZINC001094049232 795893229 /nfs/dbraw/zinc/89/32/29/795893229.db2.gz NJZYOLWTXDUAAG-LZQZEXGQSA-N 1 3 342.487 2.083 20 30 EEEDHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)N(C)C ZINC001094049183 795893668 /nfs/dbraw/zinc/89/36/68/795893668.db2.gz LIFVEEMWBUFELG-LZQZEXGQSA-N 1 3 342.487 2.083 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081180058 796679700 /nfs/dbraw/zinc/67/97/00/796679700.db2.gz YCTARJWZQPIBIW-YSIASYRMSA-N 1 3 341.499 2.489 20 30 EEEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078818946 797023807 /nfs/dbraw/zinc/02/38/07/797023807.db2.gz GASGWCNXZOGTTA-QZTJIDSGSA-N 1 3 325.456 2.012 20 30 EEEDHO CC#CCN1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001680439 797106837 /nfs/dbraw/zinc/10/68/37/797106837.db2.gz LQEAUPAIBUZOER-UHFFFAOYSA-N 1 3 341.499 2.256 20 30 EEEDHO CC#CC[NH+]1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001002144415 797622300 /nfs/dbraw/zinc/62/23/00/797622300.db2.gz FLAWANHIGMNVLF-UHFFFAOYSA-N 1 3 327.472 2.213 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494872 798094187 /nfs/dbraw/zinc/09/41/87/798094187.db2.gz FWDNIIRKHKWIGA-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C)CC1 ZINC000994494872 798094190 /nfs/dbraw/zinc/09/41/90/798094190.db2.gz FWDNIIRKHKWIGA-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176986403 798675570 /nfs/dbraw/zinc/67/55/70/798675570.db2.gz NBYDTTDNUXGEKX-GOSISDBHSA-N 1 3 328.460 2.029 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCN1C(C)C ZINC001177316694 798854993 /nfs/dbraw/zinc/85/49/93/798854993.db2.gz FWJRRQXQSZHBDE-IBGZPJMESA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001179071107 799769256 /nfs/dbraw/zinc/76/92/56/799769256.db2.gz ADDKIEDRGHYYKE-FDYSRKEFSA-N 1 3 349.519 2.082 20 30 EEEDHO C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)CCC[NH+](C)C ZINC001179435136 799920375 /nfs/dbraw/zinc/92/03/75/799920375.db2.gz KMODJTWNKWPPMN-BBRMVZONSA-N 1 3 334.489 2.041 20 30 EEEDHO 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331.504 2.055 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396904 781962527 /nfs/dbraw/zinc/96/25/27/781962527.db2.gz YPRQFWYBUPKUTF-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000115255658 462702623 /nfs/dbraw/zinc/70/26/23/462702623.db2.gz UFLHLQGXYRMJOV-UHFFFAOYSA-N 1 3 331.504 2.055 20 30 EEEDHO COc1ccccc1CNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000170905093 463737793 /nfs/dbraw/zinc/73/77/93/463737793.db2.gz JTIRGNPPQQVEID-UHFFFAOYSA-N 1 3 326.444 2.361 20 30 EEEDHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185885690 463899121 /nfs/dbraw/zinc/89/91/21/463899121.db2.gz NUIISCNAHIWOFJ-WMZOPIPTSA-N 1 3 328.460 2.150 20 30 EEEDHO CC[C@H](C)NC(=[NH2+])NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000264104486 464284046 /nfs/dbraw/zinc/28/40/46/464284046.db2.gz PCQLBSUCTFILPO-INIZCTEOSA-N 1 3 331.508 2.027 20 30 EEEDHO COc1ccc(CNC(=[NH2+])NC[C@@H](C)N2CCC[C@@H](C)C2)cc1OC ZINC000264135494 464287214 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N#Cc1cccc(NC(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000602847196 469114567 /nfs/dbraw/zinc/11/45/67/469114567.db2.gz UJYBKTFAWOZAJF-UHFFFAOYSA-N 1 3 349.438 2.494 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968438 469593750 /nfs/dbraw/zinc/59/37/50/469593750.db2.gz ZIJMLLCKMBYIGQ-SJORKVTESA-N 1 3 334.508 2.126 20 30 EEEDHO CC#CC[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641767026 470472937 /nfs/dbraw/zinc/47/29/37/470472937.db2.gz FWISHSKKRUYFPW-GOSISDBHSA-N 1 3 329.488 2.081 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000171907817 526434491 /nfs/dbraw/zinc/43/44/91/526434491.db2.gz WMLRDOCUVKFBEZ-KRWDZBQOSA-N 1 3 344.503 2.457 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000171907817 526434499 /nfs/dbraw/zinc/43/44/99/526434499.db2.gz WMLRDOCUVKFBEZ-KRWDZBQOSA-N 1 3 344.503 2.457 20 30 EEEDHO C#CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767926543 577547375 /nfs/dbraw/zinc/54/73/75/577547375.db2.gz LPQJQUPOFVWKLH-PMACEKPBSA-N 1 3 328.456 2.166 20 30 EEEDHO C=C(CN(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000764541127 577738465 /nfs/dbraw/zinc/73/84/65/577738465.db2.gz PRPJNOPCNLJGEW-UHFFFAOYSA-N 1 3 325.840 2.337 20 30 EEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969683362 675166083 /nfs/dbraw/zinc/16/60/83/675166083.db2.gz ZGJBHCAWOPPUCV-IAGOWNOFSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969683362 675166086 /nfs/dbraw/zinc/16/60/86/675166086.db2.gz ZGJBHCAWOPPUCV-IAGOWNOFSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000891921005 677703293 /nfs/dbraw/zinc/70/32/93/677703293.db2.gz HEPRUKYEWGQPNG-PKOBYXMFSA-N 1 3 348.535 2.271 20 30 EEEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972336284 678565095 /nfs/dbraw/zinc/56/50/95/678565095.db2.gz VSDKNOHKLQWNLR-YJBOKZPZSA-N 1 3 325.472 2.308 20 30 EEEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972336284 678565098 /nfs/dbraw/zinc/56/50/98/678565098.db2.gz VSDKNOHKLQWNLR-YJBOKZPZSA-N 1 3 325.472 2.308 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001029004426 682654054 /nfs/dbraw/zinc/65/40/54/682654054.db2.gz WSSRLHAKQMFDDD-IBGZPJMESA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001029004426 682654057 /nfs/dbraw/zinc/65/40/57/682654057.db2.gz WSSRLHAKQMFDDD-IBGZPJMESA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598249 685092416 /nfs/dbraw/zinc/09/24/16/685092416.db2.gz BEAFTZZGBREBBN-HKUYNNGSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598249 685092425 /nfs/dbraw/zinc/09/24/25/685092425.db2.gz BEAFTZZGBREBBN-HKUYNNGSSA-N 1 3 345.531 2.491 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001027042466 685734223 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2.232 20 30 EEEDHO CN(CC(C)(C)CNCc1ccccc1C#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485264215 1191710422 /nfs/dbraw/zinc/71/04/22/1191710422.db2.gz CVZAMFWVLZKNCU-GOSISDBHSA-N 1 3 342.487 2.084 20 30 EEEDHO CN(CC(C)(C)CNCc1ccccc1C#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485264215 1191710424 /nfs/dbraw/zinc/71/04/24/1191710424.db2.gz CVZAMFWVLZKNCU-GOSISDBHSA-N 1 3 342.487 2.084 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202227 1199446043 /nfs/dbraw/zinc/44/60/43/1199446043.db2.gz DYGGRLMYFDIXAI-ZWKOTPCHSA-N 1 3 333.520 2.491 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001134584515 1199673440 /nfs/dbraw/zinc/67/34/40/1199673440.db2.gz UVEXKRXDYYITCT-KGLIPLIRSA-N 1 3 348.516 2.477 20 30 EEEDHO C#Cc1cccc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c1 ZINC001276098121 1205779236 /nfs/dbraw/zinc/77/92/36/1205779236.db2.gz XYKFYDCGYZVYLY-UHFFFAOYSA-N 1 3 339.483 2.044 20 30 EEEDHO C[C@H](CC(C)(C)C#N)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000924918834 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QWPAPERDHDBRNL-YLJYHZDGSA-N 1 3 331.504 2.245 20 30 EEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001006029804 789300653 /nfs/dbraw/zinc/30/06/53/789300653.db2.gz WNNPYXSOIQCBMU-UXHICEINSA-N 1 3 341.499 2.441 20 30 EEEDHO C=CCN1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001006029804 789300664 /nfs/dbraw/zinc/30/06/64/789300664.db2.gz WNNPYXSOIQCBMU-UXHICEINSA-N 1 3 341.499 2.441 20 30 EEEDHO N#Cc1ccc(N2CCC[N@@H+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168393170 789500024 /nfs/dbraw/zinc/50/00/24/789500024.db2.gz YAKSQDAMPVPZKS-UHFFFAOYSA-N 1 3 339.487 2.340 20 30 EEEDHO N#Cc1ccc(N2CCC[N@H+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168393170 789500028 /nfs/dbraw/zinc/50/00/28/789500028.db2.gz YAKSQDAMPVPZKS-UHFFFAOYSA-N 1 3 339.487 2.340 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595000 791366327 /nfs/dbraw/zinc/36/63/27/791366327.db2.gz WDBKYERTUJXSOI-KBPBESRZSA-N 1 3 336.505 2.333 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921379 792986679 /nfs/dbraw/zinc/98/66/79/792986679.db2.gz NYIBGVAQSHHNKV-QZTJIDSGSA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921379 792986685 /nfs/dbraw/zinc/98/66/85/792986685.db2.gz NYIBGVAQSHHNKV-QZTJIDSGSA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186615 793127202 /nfs/dbraw/zinc/12/72/02/793127202.db2.gz GOWYRWMVPDAKLZ-LSTHTHJFSA-N 1 3 349.494 2.335 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186615 793127208 /nfs/dbraw/zinc/12/72/08/793127208.db2.gz GOWYRWMVPDAKLZ-LSTHTHJFSA-N 1 3 349.494 2.335 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC(C)C)CC3)CC1 ZINC000992502109 794435198 /nfs/dbraw/zinc/43/51/98/794435198.db2.gz AKHOBSDBLZAHHK-UYAOXDASSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC(C)C)CC3)CC1 ZINC000992502109 794435204 /nfs/dbraw/zinc/43/52/04/794435204.db2.gz AKHOBSDBLZAHHK-UYAOXDASSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@H]12 ZINC000992512495 794463244 /nfs/dbraw/zinc/46/32/44/794463244.db2.gz STRVBZQAWXECJM-ICSRJNTNSA-N 1 3 325.456 2.108 20 30 EEEDHO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCN1CCC)CCO2 ZINC001093397533 795171740 /nfs/dbraw/zinc/17/17/40/795171740.db2.gz BWSDJAQENWAGGF-QPIRBTGLSA-N 1 3 349.519 2.177 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548526 806522455 /nfs/dbraw/zinc/52/24/55/806522455.db2.gz DULOZRULIZNXET-RDJZCZTQSA-N 1 3 327.900 2.299 20 30 EEEDHO CC[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172970236 797174944 /nfs/dbraw/zinc/17/49/44/797174944.db2.gz DNDJEQZPOPXEGD-CVEARBPZSA-N 1 3 336.480 2.352 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458487 802123567 /nfs/dbraw/zinc/12/35/67/802123567.db2.gz PJTAJVZBEXWDDP-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458487 802123573 /nfs/dbraw/zinc/12/35/73/802123573.db2.gz PJTAJVZBEXWDDP-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Br)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001440131801 1093197665 /nfs/dbraw/zinc/19/76/65/1093197665.db2.gz ZMOBQCIPUCJYQW-ZIAGYGMSSA-N 1 3 346.313 2.063 20 30 EEEDHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443935412 1098455202 /nfs/dbraw/zinc/45/52/02/1098455202.db2.gz PARVJAAESBDLQI-KRWDZBQOSA-N 1 3 328.460 2.027 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003414 1113871223 /nfs/dbraw/zinc/87/12/23/1113871223.db2.gz RCDQXXRVKWQBMO-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003414 1113871227 /nfs/dbraw/zinc/87/12/27/1113871227.db2.gz RCDQXXRVKWQBMO-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)NC[C@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000491474449 533147527 /nfs/dbraw/zinc/14/75/27/533147527.db2.gz MUHMVBQPDRRUQD-WBVHZDCISA-N 1 3 331.460 2.170 20 30 EEEDHO COc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1C#N ZINC000564547441 319090477 /nfs/dbraw/zinc/09/04/77/319090477.db2.gz IQZCLRPRSSKYLO-HKUYNNGSSA-N 1 3 329.444 2.285 20 30 EEEDHO N#Cc1ccc(CN2CCC(N[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000566407080 319282397 /nfs/dbraw/zinc/28/23/97/319282397.db2.gz YAOTZSRYFMFQTO-KRWDZBQOSA-N 1 3 334.414 2.109 20 30 EEEDHO CCCC(=O)Nc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000264079769 464280708 /nfs/dbraw/zinc/28/07/08/464280708.db2.gz GWUZZHMFDHZQQH-KRWDZBQOSA-N 1 3 345.491 2.314 20 30 EEEDHO N#C[C@@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000274203544 464736870 /nfs/dbraw/zinc/73/68/70/464736870.db2.gz LNIHODBJPBMHBR-MSOLQXFVSA-N 1 3 327.476 2.266 20 30 EEEDHO CC[NH+](CC)CCO[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000350229093 466431561 /nfs/dbraw/zinc/43/15/61/466431561.db2.gz XMJRCTWXZFIJOT-GOSISDBHSA-N 1 3 331.460 2.370 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057460 466766523 /nfs/dbraw/zinc/76/65/23/466766523.db2.gz BIFOJVKSOSPFQU-HKUYNNGSSA-N 1 3 336.524 2.374 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000417543394 466879898 /nfs/dbraw/zinc/87/98/98/466879898.db2.gz ULWQAVWFVZSUJA-IAGOWNOFSA-N 1 3 334.508 2.058 20 30 EEEDHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)C[C@@H](C)O1 ZINC000528399559 467681660 /nfs/dbraw/zinc/68/16/60/467681660.db2.gz WROQSAKYXMMWDL-ZHALLVOQSA-N 1 3 349.519 2.252 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)C(C)C ZINC000669385651 471471675 /nfs/dbraw/zinc/47/16/75/471471675.db2.gz IFMMOLWDTTVWGM-FGTMMUONSA-N 1 3 336.524 2.454 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000602570816 485644538 /nfs/dbraw/zinc/64/45/38/485644538.db2.gz UHOYDSPKEHFPNJ-QRQLOZEOSA-N 1 3 349.519 2.443 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001020590126 675221519 /nfs/dbraw/zinc/22/15/19/675221519.db2.gz MWAGFVVHBQOGQX-XEZPLFJOSA-N 1 3 331.863 2.188 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001020590126 675221525 /nfs/dbraw/zinc/22/15/25/675221525.db2.gz MWAGFVVHBQOGQX-XEZPLFJOSA-N 1 3 331.863 2.188 20 30 EEEDHO C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428557 675875380 /nfs/dbraw/zinc/87/53/80/675875380.db2.gz PEUBCUPZFMBSQF-INIZCTEOSA-N 1 3 329.488 2.417 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001023888867 679672589 /nfs/dbraw/zinc/67/25/89/679672589.db2.gz FBRKBHIQSXPHAG-RHSMWYFYSA-N 1 3 346.500 2.042 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795128 676800064 /nfs/dbraw/zinc/80/00/64/676800064.db2.gz PHPQTGGTUWFVCA-MOPGFXCFSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000971795128 676800066 /nfs/dbraw/zinc/80/00/66/676800066.db2.gz PHPQTGGTUWFVCA-MOPGFXCFSA-N 1 3 340.471 2.075 20 30 EEEDHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001022717237 678320740 /nfs/dbraw/zinc/32/07/40/678320740.db2.gz UUNITWIXYZWODL-OKILXGFUSA-N 1 3 346.500 2.088 20 30 EEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000262756047 679551468 /nfs/dbraw/zinc/55/14/68/679551468.db2.gz HMMWIHYQTPHHQE-INIZCTEOSA-N 1 3 335.540 2.043 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001023760610 679565058 /nfs/dbraw/zinc/56/50/58/679565058.db2.gz YAZKMHLQIIQFSE-JLAWEPINSA-N 1 3 345.531 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001023760610 679565061 /nfs/dbraw/zinc/56/50/61/679565061.db2.gz YAZKMHLQIIQFSE-JLAWEPINSA-N 1 3 345.531 2.206 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024810817 681463216 /nfs/dbraw/zinc/46/32/16/681463216.db2.gz JZXVKVHQZQZROB-IBGZPJMESA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001024810817 681463217 /nfs/dbraw/zinc/46/32/17/681463217.db2.gz JZXVKVHQZQZROB-IBGZPJMESA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001025631227 683169760 /nfs/dbraw/zinc/16/97/60/683169760.db2.gz YRACNXQNPWSHBA-PKOBYXMFSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001025631227 683169761 /nfs/dbraw/zinc/16/97/61/683169761.db2.gz YRACNXQNPWSHBA-PKOBYXMFSA-N 1 3 331.504 2.124 20 30 EEEDHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001026891155 685254623 /nfs/dbraw/zinc/25/46/23/685254623.db2.gz NIMBOOCIAJDFEM-AWEZNQCLSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105565836 1188185761 /nfs/dbraw/zinc/18/57/61/1188185761.db2.gz CDWUBUXMZRQHEN-ROUUACIJSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001033687447 1195071569 /nfs/dbraw/zinc/07/15/69/1195071569.db2.gz GORPWALTDNEYBX-FQEVSTJZSA-N 1 3 343.515 2.365 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001033687447 1195071573 /nfs/dbraw/zinc/07/15/73/1195071573.db2.gz GORPWALTDNEYBX-FQEVSTJZSA-N 1 3 343.515 2.365 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)C)C2)CC1 ZINC001034538580 1196360986 /nfs/dbraw/zinc/36/09/86/1196360986.db2.gz QJZYRVUDSJKZFP-LJQANCHMSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)CC1 ZINC001034538580 1196360990 /nfs/dbraw/zinc/36/09/90/1196360990.db2.gz QJZYRVUDSJKZFP-LJQANCHMSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)CC1 ZINC001034832007 1196794172 /nfs/dbraw/zinc/79/41/72/1196794172.db2.gz KDJPQUJFFXLYOU-UHFFFAOYSA-N 1 3 339.483 2.148 20 30 EEEDHO C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000948770450 1209363562 /nfs/dbraw/zinc/36/35/62/1209363562.db2.gz IRMGASUQRPGYPX-HXUWFJFHSA-N 1 3 341.499 2.350 20 30 EEEDHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948986120 1209490714 /nfs/dbraw/zinc/49/07/14/1209490714.db2.gz IOSQJUHCNSHNEQ-HKUYNNGSSA-N 1 3 327.472 2.230 20 30 EEEDHO C=CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948986120 1209490716 /nfs/dbraw/zinc/49/07/16/1209490716.db2.gz IOSQJUHCNSHNEQ-HKUYNNGSSA-N 1 3 327.472 2.230 20 30 EEEDHO CCN(CCCNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000303771913 1213903628 /nfs/dbraw/zinc/90/36/28/1213903628.db2.gz CZOBBXQJKSCYGC-SFHVURJKSA-N 1 3 331.508 2.292 20 30 EEEDHO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961025668 1217012294 /nfs/dbraw/zinc/01/22/94/1217012294.db2.gz BIRZJJCAIBCUBW-IBGZPJMESA-N 1 3 340.471 2.077 20 30 EEEDHO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961025668 1217012296 /nfs/dbraw/zinc/01/22/96/1217012296.db2.gz BIRZJJCAIBCUBW-IBGZPJMESA-N 1 3 340.471 2.077 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961412660 1217180365 /nfs/dbraw/zinc/18/03/65/1217180365.db2.gz UIJAMMPUWYUOHZ-AZUAARDMSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961412660 1217180367 /nfs/dbraw/zinc/18/03/67/1217180367.db2.gz UIJAMMPUWYUOHZ-AZUAARDMSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961438435 1217190165 /nfs/dbraw/zinc/19/01/65/1217190165.db2.gz DFWBTZILABMIKR-IBGZPJMESA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961438435 1217190168 /nfs/dbraw/zinc/19/01/68/1217190168.db2.gz DFWBTZILABMIKR-IBGZPJMESA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968681954 1221487712 /nfs/dbraw/zinc/48/77/12/1221487712.db2.gz NMWGGQOFNKPXJL-FXAWDEMLSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C)CC1 ZINC000968681954 1221487715 /nfs/dbraw/zinc/48/77/15/1221487715.db2.gz NMWGGQOFNKPXJL-FXAWDEMLSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016860979 1226928552 /nfs/dbraw/zinc/92/85/52/1226928552.db2.gz MADZMCMPIAKBDA-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC[C@@H](C)F)CC3)CC1 ZINC001016987144 1227016099 /nfs/dbraw/zinc/01/60/99/1227016099.db2.gz VSFIGOPBQIUYEK-SJLPKXTDSA-N 1 3 349.494 2.050 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040731941 1231351151 /nfs/dbraw/zinc/35/11/51/1231351151.db2.gz FSAXQYRLVMUMNB-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040731941 1231351153 /nfs/dbraw/zinc/35/11/53/1231351153.db2.gz FSAXQYRLVMUMNB-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844801 1231728042 /nfs/dbraw/zinc/72/80/42/1231728042.db2.gz NRRXKOWRVCVXKX-OAQYLSRUSA-N 1 3 339.483 2.310 20 30 EEEDHO CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844801 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CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1)N(C)C ZINC001423686855 1400746857 /nfs/dbraw/zinc/74/68/57/1400746857.db2.gz AQKXYDSJWNXZHR-HTWSVDAQSA-N 1 3 346.450 2.117 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979074 1401827885 /nfs/dbraw/zinc/82/78/85/1401827885.db2.gz XVLOJPGEYFMGGM-QFBILLFUSA-N 1 3 342.487 2.275 20 30 EEEDHO C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001755445747 1407459506 /nfs/dbraw/zinc/45/95/06/1407459506.db2.gz QEOCZLKHFSBSBR-IAGOWNOFSA-N 1 3 339.524 2.136 20 30 EEEDHO CC#CC[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232443 757535457 /nfs/dbraw/zinc/53/54/57/757535457.db2.gz CQGPAQBYFZNARG-IBGZPJMESA-N 1 3 337.483 2.098 20 30 EEEDHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001167260854 757594484 /nfs/dbraw/zinc/59/44/84/757594484.db2.gz NIYIGXCBCZHFML-IBGZPJMESA-N 1 3 341.499 2.254 20 30 EEEDHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001167627921 760770166 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PXHVNCCBDNIRCV-FUHIMQAGSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106767 782921551 /nfs/dbraw/zinc/92/15/51/782921551.db2.gz PXHVNCCBDNIRCV-FUHIMQAGSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258517 774204065 /nfs/dbraw/zinc/20/40/65/774204065.db2.gz WJJXBNWMCSUSBI-HSALFYBXSA-N 1 3 343.515 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258517 774204068 /nfs/dbraw/zinc/20/40/68/774204068.db2.gz WJJXBNWMCSUSBI-HSALFYBXSA-N 1 3 343.515 2.124 20 30 EEEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793554 781606961 /nfs/dbraw/zinc/60/69/61/781606961.db2.gz IYTWDUOJNRGIBE-YQVWRLOYSA-N 1 3 331.504 2.360 20 30 EEEDHO C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001075793554 781606964 /nfs/dbraw/zinc/60/69/64/781606964.db2.gz IYTWDUOJNRGIBE-YQVWRLOYSA-N 1 3 331.504 2.360 20 30 EEEDHO C[C@H](C[C@H](C)NCc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001135373351 783662845 /nfs/dbraw/zinc/66/28/45/783662845.db2.gz VWKHEGTTYLXBQF-UONOGXRCSA-N 1 3 334.439 2.022 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001146584476 791337179 /nfs/dbraw/zinc/33/71/79/791337179.db2.gz SMTQXOPUUSLLSS-MSOLQXFVSA-N 1 3 341.499 2.405 20 30 EEEDHO C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108033955 796066925 /nfs/dbraw/zinc/06/69/25/796066925.db2.gz PSIZERCYSPNENR-APWZRJJASA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108033955 796066933 /nfs/dbraw/zinc/06/69/33/796066933.db2.gz PSIZERCYSPNENR-APWZRJJASA-N 1 3 339.524 2.279 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C/C=C\Cl)C2)CC1 ZINC001036904549 796447657 /nfs/dbraw/zinc/44/76/57/796447657.db2.gz UAUWWYGGPOHBJX-LDSUWCTBSA-N 1 3 349.906 2.007 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C/C=C\Cl)C2)CC1 ZINC001036904549 796447661 /nfs/dbraw/zinc/44/76/61/796447661.db2.gz UAUWWYGGPOHBJX-LDSUWCTBSA-N 1 3 349.906 2.007 20 30 EEEDHO C[C@@H](CCCCNCc1cc(F)ccc1C#N)NC(=O)CC[NH+](C)C ZINC001175056345 797964763 /nfs/dbraw/zinc/96/47/63/797964763.db2.gz MILFPGDJDPTUOR-HNNXBMFYSA-N 1 3 348.466 2.414 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504678 798104061 /nfs/dbraw/zinc/10/40/61/798104061.db2.gz XWGLXKUVCIZRIK-IEBWSBKVSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504678 798104065 /nfs/dbraw/zinc/10/40/65/798104065.db2.gz XWGLXKUVCIZRIK-IEBWSBKVSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001176926091 798630463 /nfs/dbraw/zinc/63/04/63/798630463.db2.gz GKYFTZAOJQSLPM-GOSISDBHSA-N 1 3 341.499 2.497 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176986407 798675481 /nfs/dbraw/zinc/67/54/81/798675481.db2.gz NHEMPWDKYJXDOX-GOSISDBHSA-N 1 3 328.460 2.029 20 30 EEEDHO C=CCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003627056 799913449 /nfs/dbraw/zinc/91/34/49/799913449.db2.gz BQBMYIKFBPPRCP-SFHVURJKSA-N 1 3 325.472 2.356 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085485 802106207 /nfs/dbraw/zinc/10/62/07/802106207.db2.gz HNACMYFOXFNTIT-JONQDZQNSA-N 1 3 325.884 2.098 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085485 802106211 /nfs/dbraw/zinc/10/62/11/802106211.db2.gz HNACMYFOXFNTIT-JONQDZQNSA-N 1 3 325.884 2.098 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004459315 802125211 /nfs/dbraw/zinc/12/52/11/802125211.db2.gz PLPHYTRWFMFOAU-IBGZPJMESA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004459315 802125215 /nfs/dbraw/zinc/12/52/15/802125215.db2.gz PLPHYTRWFMFOAU-IBGZPJMESA-N 1 3 331.504 2.197 20 30 EEEDHO C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349473 803336411 /nfs/dbraw/zinc/33/64/11/803336411.db2.gz HDYAZSFSNXRNPK-MJGOQNOKSA-N 1 3 339.524 2.280 20 30 EEEDHO CCCCCCC[NH+]1CCN(C(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC001113255021 808576301 /nfs/dbraw/zinc/57/63/01/808576301.db2.gz YSYNUADCVSEVEI-GOSISDBHSA-N 1 3 339.524 2.210 20 30 EEEDHO C[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831700 1095888955 /nfs/dbraw/zinc/88/89/55/1095888955.db2.gz FJHPLHFWAKRMJT-YOEHRIQHSA-N 1 3 346.450 2.118 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198555 1096477813 /nfs/dbraw/zinc/47/78/13/1096477813.db2.gz HAPHTQIIXGLJSC-LSDHHAIUSA-N 1 3 348.516 2.479 20 30 EEEDHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC001495205077 1100885880 /nfs/dbraw/zinc/88/58/80/1100885880.db2.gz SMQDXHDTXPLSBL-UHFFFAOYSA-N 1 3 342.487 2.419 20 30 EEEDHO CCC[N@H+](CCOc1cccc(C#N)c1)CCN1CCN(CC)CC1 ZINC000344125553 161200398 /nfs/dbraw/zinc/20/03/98/161200398.db2.gz IAKIRJDERYSYOJ-UHFFFAOYSA-N 1 3 344.503 2.287 20 30 EEEDHO CCC[N@@H+](CCOc1cccc(C#N)c1)CCN1CCN(CC)CC1 ZINC000344125553 161200399 /nfs/dbraw/zinc/20/03/99/161200399.db2.gz IAKIRJDERYSYOJ-UHFFFAOYSA-N 1 3 344.503 2.287 20 30 EEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223668 463555612 /nfs/dbraw/zinc/55/56/12/463555612.db2.gz QLDGTXRWSWHIMZ-GOSISDBHSA-N 1 3 343.475 2.438 20 30 EEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223668 463555618 /nfs/dbraw/zinc/55/56/18/463555618.db2.gz QLDGTXRWSWHIMZ-GOSISDBHSA-N 1 3 343.475 2.438 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000171711482 463911215 /nfs/dbraw/zinc/91/12/15/463911215.db2.gz NJMGUWNOAOOFBT-GOSISDBHSA-N 1 3 336.524 2.447 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1csc(Br)c1 ZINC000261969069 463913501 /nfs/dbraw/zinc/91/35/01/463913501.db2.gz CJBYUQXDGGEBAX-NSHDSACASA-N 1 3 345.310 2.399 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268099610 464949449 /nfs/dbraw/zinc/94/94/49/464949449.db2.gz WHULKCAGEHHUTQ-ZDUSSCGKSA-N 1 3 339.827 2.137 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000417068066 466770168 /nfs/dbraw/zinc/77/01/68/466770168.db2.gz SDXCSVBXTYQWTG-OTWHNJEPSA-N 1 3 348.535 2.372 20 30 EEEDHO CC(C)C[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418449257 467112961 /nfs/dbraw/zinc/11/29/61/467112961.db2.gz SMGFMPLHFXRBHI-SFHVURJKSA-N 1 3 345.491 2.005 20 30 EEEDHO C[C@H](CCC#N)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000602694086 469016706 /nfs/dbraw/zinc/01/67/06/469016706.db2.gz QLFISRJMRDNYHB-MRXNPFEDSA-N 1 3 342.487 2.413 20 30 EEEDHO C[C@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CN1CCCCC1 ZINC000574032833 469248671 /nfs/dbraw/zinc/24/86/71/469248671.db2.gz YFJJPUHBUOXOKW-MJGOQNOKSA-N 1 3 345.487 2.204 20 30 EEEDHO CC#CC[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641767027 470473088 /nfs/dbraw/zinc/47/30/88/470473088.db2.gz FWISHSKKRUYFPW-SFHVURJKSA-N 1 3 329.488 2.081 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681627 472203816 /nfs/dbraw/zinc/20/38/16/472203816.db2.gz KMIPVSMBJLQZPW-GDBMZVCRSA-N 1 3 347.425 2.343 20 30 EEEDHO C#CCCOc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000113320169 526744062 /nfs/dbraw/zinc/74/40/62/526744062.db2.gz BWWUHVPYAQVIFH-UHFFFAOYSA-N 1 3 329.488 2.204 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001024039248 679772633 /nfs/dbraw/zinc/77/26/33/679772633.db2.gz SFJIIHGFCUJWNP-RHSMWYFYSA-N 1 3 348.516 2.288 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCC(C)C)CC1 ZINC001024812424 681465732 /nfs/dbraw/zinc/46/57/32/681465732.db2.gz OSTMLZFHKNCRAT-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)C)CC1 ZINC001024812424 681465734 /nfs/dbraw/zinc/46/57/34/681465734.db2.gz OSTMLZFHKNCRAT-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001024900410 681557334 /nfs/dbraw/zinc/55/73/34/681557334.db2.gz DGCSOJMORJVFEZ-RTBURBONSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC000982617582 681789406 /nfs/dbraw/zinc/78/94/06/681789406.db2.gz OKNSWWIWBRCXBN-RLLQIKCJSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982624857 681836054 /nfs/dbraw/zinc/83/60/54/681836054.db2.gz UDSUKVLPBNOURT-SESVDKBCSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982624857 681836061 /nfs/dbraw/zinc/83/60/61/681836061.db2.gz UDSUKVLPBNOURT-SESVDKBCSA-N 1 3 345.531 2.443 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC000992706582 683286573 /nfs/dbraw/zinc/28/65/73/683286573.db2.gz FLMKYDWOCQXESK-OWCLPIDISA-N 1 3 339.911 2.440 20 30 EEEDHO C=C(Br)CNC(=[NH+]C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262424057 685997458 /nfs/dbraw/zinc/99/74/58/685997458.db2.gz CDNAWPCPLBCSAZ-CYBMUJFWSA-N 1 3 329.286 2.031 20 30 EEEDHO N#CCCCNC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272716563 1191977406 /nfs/dbraw/zinc/97/74/06/1191977406.db2.gz HMPAZKGSLWYYIB-GOSISDBHSA-N 1 3 346.519 2.384 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC000945177595 1193413817 /nfs/dbraw/zinc/41/38/17/1193413817.db2.gz BKFOCKMKKHRLNE-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC000945177595 1193413818 /nfs/dbraw/zinc/41/38/18/1193413818.db2.gz BKFOCKMKKHRLNE-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398957 1196190252 /nfs/dbraw/zinc/19/02/52/1196190252.db2.gz PRVZYKYONIODRD-VQIMIIECSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCCN1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398957 1196190253 /nfs/dbraw/zinc/19/02/53/1196190253.db2.gz PRVZYKYONIODRD-VQIMIIECSA-N 1 3 337.483 2.193 20 30 EEEDHO 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/nfs/dbraw/zinc/87/50/99/1200875099.db2.gz AZIBGJMHZHYWOI-UHFFFAOYSA-N 1 3 335.879 2.233 20 30 EEEDHO C#CCN1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2OC)CC1 ZINC000868815347 1201885828 /nfs/dbraw/zinc/88/58/28/1201885828.db2.gz YFMYONGMRFVVOP-UHFFFAOYSA-N 1 3 329.444 2.041 20 30 EEEDHO CCCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000135109617 1202338094 /nfs/dbraw/zinc/33/80/94/1202338094.db2.gz OMDFWCXGCNCNAT-QGZVFWFLSA-N 1 3 332.492 2.407 20 30 EEEDHO C=CCCN1CCOC2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949388481 1209662354 /nfs/dbraw/zinc/66/23/54/1209662354.db2.gz BCNVBSYPZDHQSF-SFHVURJKSA-N 1 3 349.519 2.130 20 30 EEEDHO C=CCCN1CCOC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949388481 1209662356 /nfs/dbraw/zinc/66/23/56/1209662356.db2.gz BCNVBSYPZDHQSF-SFHVURJKSA-N 1 3 349.519 2.130 20 30 EEEDHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC000960042373 1216317645 /nfs/dbraw/zinc/31/76/45/1216317645.db2.gz GQVZCKDFTMBIKL-WMLDXEAASA-N 1 3 348.516 2.431 20 30 EEEDHO 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CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210789338 1325434445 /nfs/dbraw/zinc/43/44/45/1325434445.db2.gz NDEZEYMVESTTKI-QGZVFWFLSA-N 1 3 346.450 2.120 20 30 EEEDHO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001574487020 1343678288 /nfs/dbraw/zinc/67/82/88/1343678288.db2.gz XUJLHHLSXOJLPT-IKGGRYGDSA-N 1 3 344.507 2.035 20 30 EEEDHO CC#CC[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001574973028 1343716162 /nfs/dbraw/zinc/71/61/62/1343716162.db2.gz RTAMLSMXKNIXDT-RAFMOHDBSA-N 1 3 339.483 2.429 20 30 EEEDHO CC#CC[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001574973028 1343716165 /nfs/dbraw/zinc/71/61/65/1343716165.db2.gz RTAMLSMXKNIXDT-RAFMOHDBSA-N 1 3 339.483 2.429 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC=C(C)C)C2)CC1 ZINC001072096342 1370605945 /nfs/dbraw/zinc/60/59/45/1370605945.db2.gz XTFUEZTUQOWHOW-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC=C(C)C)C2)CC1 ZINC001072096342 1370605949 /nfs/dbraw/zinc/60/59/49/1370605949.db2.gz XTFUEZTUQOWHOW-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccc(C#N)cc1 ZINC001394141939 1390632540 /nfs/dbraw/zinc/63/25/40/1390632540.db2.gz PZZJRKBNEPMNKB-KRWDZBQOSA-N 1 3 342.487 2.371 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001752920703 1406548908 /nfs/dbraw/zinc/54/89/08/1406548908.db2.gz FCCXNGACSUXLIF-ZWKOTPCHSA-N 1 3 341.499 2.496 20 30 EEEDHO C=C(Br)C[NH2+]C1CCC(NC(=O)CN(C)CCC)CC1 ZINC001398838232 1394221414 /nfs/dbraw/zinc/22/14/14/1394221414.db2.gz HDDNZIYQGGKPJA-UHFFFAOYSA-N 1 3 346.313 2.254 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001423104514 1400420763 /nfs/dbraw/zinc/42/07/63/1400420763.db2.gz NAKXOFASACUOHD-CRAIPNDOSA-N 1 3 330.476 2.081 20 30 EEEDHO C=C(Br)CNC1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001423672735 1400735167 /nfs/dbraw/zinc/73/51/67/1400735167.db2.gz HHPSZIAORNCYPQ-RUXDESIVSA-N 1 3 346.313 2.060 20 30 EEEDHO CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001755184705 1407188519 /nfs/dbraw/zinc/18/85/19/1407188519.db2.gz DIGRRTSXYKHYEV-IBGZPJMESA-N 1 3 333.520 2.445 20 30 EEEDHO CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001755184705 1407188523 /nfs/dbraw/zinc/18/85/23/1407188523.db2.gz DIGRRTSXYKHYEV-IBGZPJMESA-N 1 3 333.520 2.445 20 30 EEEDHO C#CCOc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC001574735642 1403525527 /nfs/dbraw/zinc/52/55/27/1403525527.db2.gz LNERABGONOTQHH-UHFFFAOYSA-N 1 3 347.422 2.028 20 30 EEEDHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001732745679 1405969205 /nfs/dbraw/zinc/96/92/05/1405969205.db2.gz JPXULXBUHGVCRQ-KSSFIOAISA-N 1 3 348.466 2.268 20 30 EEEDHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001167627571 760769035 /nfs/dbraw/zinc/76/90/35/760769035.db2.gz PQBCCYIBVCZZLI-QGZVFWFLSA-N 1 3 348.516 2.479 20 30 EEEDHO C=CCC[NH+]1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)C[C@H](C)O2 ZINC001098605217 765090064 /nfs/dbraw/zinc/09/00/64/765090064.db2.gz GYXAJNHMPVGDLL-KRWDZBQOSA-N 1 3 349.519 2.129 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(C)C)C[C@H]3C2)CC1 ZINC000980251729 774191591 /nfs/dbraw/zinc/19/15/91/774191591.db2.gz GCUIFWIAONSPQL-VAMGGRTRSA-N 1 3 345.531 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(C)C)C[C@H]3C2)CC1 ZINC000980251729 774191592 /nfs/dbraw/zinc/19/15/92/774191592.db2.gz GCUIFWIAONSPQL-VAMGGRTRSA-N 1 3 345.531 2.204 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001088327207 783517249 /nfs/dbraw/zinc/51/72/49/783517249.db2.gz IALYCZZPQRARGC-HZPDHXFCSA-N 1 3 327.900 2.440 20 30 EEEDHO C=CCN(CC=C)CCN1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168395214 789528884 /nfs/dbraw/zinc/52/88/84/789528884.db2.gz QPCRARHRPJIXOK-UHFFFAOYSA-N 1 3 346.563 2.152 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594827 791365888 /nfs/dbraw/zinc/36/58/88/791365888.db2.gz VHRVLCRRQQXLGL-MSOLQXFVSA-N 1 3 329.488 2.251 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942516 793035813 /nfs/dbraw/zinc/03/58/13/793035813.db2.gz UHNSMLSFYYGGFP-ROUUACIJSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC000992515496 794471386 /nfs/dbraw/zinc/47/13/86/794471386.db2.gz ZEXGNIFBFFPLNY-CTNGQTDRSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC(=C)C)CC3)CC1 ZINC000992515496 794471395 /nfs/dbraw/zinc/47/13/95/794471395.db2.gz ZEXGNIFBFFPLNY-CTNGQTDRSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371979 795103572 /nfs/dbraw/zinc/10/35/72/795103572.db2.gz XNEQPGIVYIRBJZ-GOSISDBHSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371979 795103576 /nfs/dbraw/zinc/10/35/76/795103576.db2.gz XNEQPGIVYIRBJZ-GOSISDBHSA-N 1 3 343.515 2.197 20 30 EEEDHO C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CN1CCC[C@H]1C)CCO2 ZINC001093407838 795145688 /nfs/dbraw/zinc/14/56/88/795145688.db2.gz MJBKEGMSHYZZOR-PGYGNJIDSA-N 1 3 349.519 2.177 20 30 EEEDHO CC(C)(C(=O)NCCNCc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC001127322184 795397417 /nfs/dbraw/zinc/39/74/17/795397417.db2.gz NGHSLIGJYMWXBN-UHFFFAOYSA-N 1 3 334.489 2.090 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820007 797025189 /nfs/dbraw/zinc/02/51/89/797025189.db2.gz TZXIUDURYBXSLR-RBUKOAKNSA-N 1 3 343.515 2.149 20 30 EEEDHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082740714 797674548 /nfs/dbraw/zinc/67/45/48/797674548.db2.gz DCSHFXVRUVLQFO-CKEIUWERSA-N 1 3 346.500 2.041 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2cccc(CC)c2)CC1 ZINC001176926649 798631082 /nfs/dbraw/zinc/63/10/82/798631082.db2.gz RIFVIVLMAGFGAZ-UHFFFAOYSA-N 1 3 341.499 2.190 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCc2ccsc2)CC1 ZINC001176926868 798631087 /nfs/dbraw/zinc/63/10/87/798631087.db2.gz YFTUJMDFUMCRRV-UHFFFAOYSA-N 1 3 347.528 2.122 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176986521 798675318 /nfs/dbraw/zinc/67/53/18/798675318.db2.gz QGZUQWIHYMWANJ-IBGZPJMESA-N 1 3 327.472 2.008 20 30 EEEDHO CC1CCN(CC(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001169126638 803622995 /nfs/dbraw/zinc/62/29/95/803622995.db2.gz CFWVLAOMPGMAMF-UHFFFAOYSA-N 1 3 346.450 2.025 20 30 EEEDHO C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001437020923 1088812688 /nfs/dbraw/zinc/81/26/88/1088812688.db2.gz LFWFOXYPVBEYCO-KGLIPLIRSA-N 1 3 346.313 2.063 20 30 EEEDHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001440292503 1093416447 /nfs/dbraw/zinc/41/64/47/1093416447.db2.gz SGBJQGNGQKFTLI-OKILXGFUSA-N 1 3 346.500 2.088 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001568150276 1124327051 /nfs/dbraw/zinc/32/70/51/1124327051.db2.gz BKQLSFFHYFMWCB-OAHLLOKOSA-N 1 3 348.516 2.432 20 30 EEEDHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442767272 242109372 /nfs/dbraw/zinc/10/93/72/242109372.db2.gz MJWMXKLUBYWLTP-WMZOPIPTSA-N 1 3 331.460 2.425 20 30 EEEDHO N#Cc1cccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000299602504 268254413 /nfs/dbraw/zinc/25/44/13/268254413.db2.gz VYUNKNBPYMGLER-UHFFFAOYSA-N 1 3 335.455 2.255 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000296129600 465089430 /nfs/dbraw/zinc/08/94/30/465089430.db2.gz IBWZUVXUJFUXPO-UHFFFAOYSA-N 1 3 344.503 2.283 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000491679082 468362129 /nfs/dbraw/zinc/36/21/29/468362129.db2.gz WJGAQWXTOOHNAE-UHFFFAOYSA-N 1 3 333.520 2.302 20 30 EEEDHO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262470066 464029398 /nfs/dbraw/zinc/02/93/98/464029398.db2.gz OQFNIQWECXDXNQ-OAHLLOKOSA-N 1 3 346.504 2.031 20 30 EEEDHO C[NH+]=C(NCc1ccco1)NCc1ccc(OCCN(C)C)cc1 ZINC000264027729 464274799 /nfs/dbraw/zinc/27/47/99/464274799.db2.gz CFGDRXVBEOZOAI-UHFFFAOYSA-N 1 3 330.432 2.085 20 30 EEEDHO Cc1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1C#N ZINC000349034749 465931526 /nfs/dbraw/zinc/93/15/26/465931526.db2.gz FTZRFNVUGZRGHQ-UHFFFAOYSA-N 1 3 326.488 2.326 20 30 EEEDHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCC#N ZINC000424153431 466991948 /nfs/dbraw/zinc/99/19/48/466991948.db2.gz KZOCCESHIHTHNO-OALUTQOASA-N 1 3 342.487 2.378 20 30 EEEDHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCC#N ZINC000424153431 466991951 /nfs/dbraw/zinc/99/19/51/466991951.db2.gz KZOCCESHIHTHNO-OALUTQOASA-N 1 3 342.487 2.378 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971800730 676811525 /nfs/dbraw/zinc/81/15/25/676811525.db2.gz LYBQAWXIWVVXFE-RBUKOAKNSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971800730 676811527 /nfs/dbraw/zinc/81/15/27/676811527.db2.gz LYBQAWXIWVVXFE-RBUKOAKNSA-N 1 3 340.471 2.075 20 30 EEEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262356304 679271055 /nfs/dbraw/zinc/27/10/55/679271055.db2.gz FZOBLAMFNSZOCO-GVDBMIGSSA-N 1 3 334.508 2.005 20 30 EEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC001024478538 679951629 /nfs/dbraw/zinc/95/16/29/679951629.db2.gz SPRVEURRMPQDSJ-RTBURBONSA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC001024478538 679951636 /nfs/dbraw/zinc/95/16/36/679951636.db2.gz SPRVEURRMPQDSJ-RTBURBONSA-N 1 3 349.519 2.177 20 30 EEEDHO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616036 681801453 /nfs/dbraw/zinc/80/14/53/681801453.db2.gz BCAAOJGJCBAXMV-SESVDKBCSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616036 681801458 /nfs/dbraw/zinc/80/14/58/681801458.db2.gz BCAAOJGJCBAXMV-SESVDKBCSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631234 683169432 /nfs/dbraw/zinc/16/94/32/683169432.db2.gz YSGLFPNICKTMDZ-IRXDYDNUSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631234 683169436 /nfs/dbraw/zinc/16/94/36/683169436.db2.gz YSGLFPNICKTMDZ-IRXDYDNUSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631234 683169440 /nfs/dbraw/zinc/16/94/40/683169440.db2.gz YSGLFPNICKTMDZ-IRXDYDNUSA-N 1 3 327.472 2.212 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1)N(C)C ZINC001029844078 687307046 /nfs/dbraw/zinc/30/70/46/687307046.db2.gz VSILUAKAMPGBBP-YOEHRIQHSA-N 1 3 348.516 2.240 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1)N(C)C ZINC001029844078 687307051 /nfs/dbraw/zinc/30/70/51/687307051.db2.gz VSILUAKAMPGBBP-YOEHRIQHSA-N 1 3 348.516 2.240 20 30 EEEDHO C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](N2CCCCC2)C1 ZINC000262620191 687605818 /nfs/dbraw/zinc/60/58/18/687605818.db2.gz CNEUXSCKBZPPKE-HNNXBMFYSA-N 1 3 335.521 2.396 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@H]2C)CC1 ZINC000987566937 689842940 /nfs/dbraw/zinc/84/29/40/689842940.db2.gz CPOKVSAZSOKTCI-QAPCUYQASA-N 1 3 345.512 2.172 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C[C@H]2C)CC1 ZINC000989829353 692355549 /nfs/dbraw/zinc/35/55/49/692355549.db2.gz RTYKDOHHLYUFKP-QAPCUYQASA-N 1 3 345.512 2.172 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001105446158 1187195205 /nfs/dbraw/zinc/19/52/05/1187195205.db2.gz FWGRBBPQCPUGIH-MSEWRSJXSA-N 1 3 338.455 2.253 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H](CC)N(C)C)CCO2 ZINC001105474205 1188037249 /nfs/dbraw/zinc/03/72/49/1188037249.db2.gz ALZXPFSNDJXEKM-TVRKMHQQSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413400 1196210629 /nfs/dbraw/zinc/21/06/29/1196210629.db2.gz IBKLXPHTZDCTNA-ZCNNSNEGSA-N 1 3 341.499 2.489 20 30 EEEDHO C=CCN1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413400 1196210632 /nfs/dbraw/zinc/21/06/32/1196210632.db2.gz IBKLXPHTZDCTNA-ZCNNSNEGSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(C)CN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140551 1199349080 /nfs/dbraw/zinc/34/90/80/1199349080.db2.gz IWRBZYLAMPCUCL-SJORKVTESA-N 1 3 330.476 2.453 20 30 EEEDHO C=C(C)CN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140550 1199349738 /nfs/dbraw/zinc/34/97/38/1199349738.db2.gz IWRBZYLAMPCUCL-IRXDYDNUSA-N 1 3 330.476 2.453 20 30 EEEDHO C=CCOc1ccccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877747154 1200071780 /nfs/dbraw/zinc/07/17/80/1200071780.db2.gz BDCMROGSIHZIKO-UHFFFAOYSA-N 1 3 329.488 2.463 20 30 EEEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133338142 1200762427 /nfs/dbraw/zinc/76/24/27/1200762427.db2.gz SERPXSHUVLXOSO-FXAWDEMLSA-N 1 3 341.499 2.459 20 30 EEEDHO CN(C)CC[N@@H+]1CCC2(CN(CCCc3ccc(C#N)cc3)C2)C1 ZINC001274892707 1205202429 /nfs/dbraw/zinc/20/24/29/1205202429.db2.gz XOTWLUGNFKQHBO-UHFFFAOYSA-N 1 3 326.488 2.060 20 30 EEEDHO CN(C)CC[N@H+]1CCC2(CN(CCCc3ccc(C#N)cc3)C2)C1 ZINC001274892707 1205202432 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EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961407359 1217178683 /nfs/dbraw/zinc/17/86/83/1217178683.db2.gz XFQFYWYVDRDING-MJGOQNOKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961407359 1217178686 /nfs/dbraw/zinc/17/86/86/1217178686.db2.gz XFQFYWYVDRDING-MJGOQNOKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037983511 1220878690 /nfs/dbraw/zinc/87/86/90/1220878690.db2.gz NKCLANDPOFJHKO-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928466 1221679183 /nfs/dbraw/zinc/67/91/83/1221679183.db2.gz LNRUVYOQECKZTN-RBUKOAKNSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCN1CC(C)C ZINC000968928466 1221679179 /nfs/dbraw/zinc/67/91/79/1221679179.db2.gz LNRUVYOQECKZTN-RBUKOAKNSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001039423965 1230601860 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C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001049720939 1241991546 /nfs/dbraw/zinc/99/15/46/1241991546.db2.gz UZOKHZRZTRXHJN-MBOZVWFJSA-N 1 3 349.494 2.288 20 30 EEEDHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049909810 1242658692 /nfs/dbraw/zinc/65/86/92/1242658692.db2.gz CRHMILJRYRVYNN-PMACEKPBSA-N 1 3 339.483 2.450 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)CC1 ZINC001096608432 1242794653 /nfs/dbraw/zinc/79/46/53/1242794653.db2.gz WQUQVAJYYLAAFV-QYZOEREBSA-N 1 3 345.531 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)CC1 ZINC001096608432 1242794661 /nfs/dbraw/zinc/79/46/61/1242794661.db2.gz WQUQVAJYYLAAFV-QYZOEREBSA-N 1 3 345.531 2.489 20 30 EEEDHO C=C(C)CN1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cccc2C1 ZINC001051299465 1245499568 /nfs/dbraw/zinc/49/95/68/1245499568.db2.gz LOKHPTZQSUTWMF-OXJNMPFZSA-N 1 3 341.499 2.435 20 30 EEEDHO C=C(C)CN1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cccc2C1 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FPGVLXJGHCAMKZ-VQHPVUNQSA-N 1 3 325.472 2.354 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216843133 1297311549 /nfs/dbraw/zinc/31/15/49/1297311549.db2.gz XFPWFJTZCFBTQU-VQIMIIECSA-N 1 3 345.487 2.001 20 30 EEEDHO C[NH2+]Cc1ccc(C(=O)Nc2sc3c(c2C#N)CCNC3)cc1 ZINC001218553812 1297711331 /nfs/dbraw/zinc/71/13/31/1297711331.db2.gz RUAUEONUTAOYNX-UHFFFAOYSA-N 1 3 326.425 2.237 20 30 EEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001228604310 1302334737 /nfs/dbraw/zinc/33/47/37/1302334737.db2.gz ZZSNPTPSLFCEMD-MDZRGWNJSA-N 1 3 337.483 2.239 20 30 EEEDHO C=CCOCC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001122231402 1310245705 /nfs/dbraw/zinc/24/57/05/1310245705.db2.gz JWIRXKWEBAWTHI-XJJIXNBRSA-N 1 3 349.519 2.079 20 30 EEEDHO COC(=O)[C@H]1C[C@H](N)C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798324 1310432334 /nfs/dbraw/zinc/43/23/34/1310432334.db2.gz ROFVWUKFHKTOHJ-YBXZHIRMSA-N 1 3 341.455 2.407 20 30 EEEDHO COC(=O)[C@H]1C[C@H](N)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246798324 1310432343 /nfs/dbraw/zinc/43/23/43/1310432343.db2.gz ROFVWUKFHKTOHJ-YBXZHIRMSA-N 1 3 341.455 2.407 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001150070809 1316145728 /nfs/dbraw/zinc/14/57/28/1316145728.db2.gz LIFBIFVEKRWQQU-KRWDZBQOSA-N 1 3 337.508 2.034 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001150070809 1316145730 /nfs/dbraw/zinc/14/57/30/1316145730.db2.gz LIFBIFVEKRWQQU-KRWDZBQOSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC001152334899 1316658125 /nfs/dbraw/zinc/65/81/25/1316658125.db2.gz VBEUFEJMSDTKPI-OAHLLOKOSA-N 1 3 347.890 2.452 20 30 EEEDHO C=CCOC[C@@H](O)C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001252463445 1317606620 /nfs/dbraw/zinc/60/66/20/1317606620.db2.gz OOSMHHGUBQOMDB-SFHVURJKSA-N 1 3 334.460 2.131 20 30 EEEDHO CC(C)N(c1nccnc1C(C#N)C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC001158034557 1318978498 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348.516 2.334 20 30 EEEDHO C=C(Br)CN[C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001393831400 1390552020 /nfs/dbraw/zinc/55/20/20/1390552020.db2.gz XYCREHYMDQDZJQ-AWEZNQCLSA-N 1 3 346.313 2.255 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001423489214 1400600627 /nfs/dbraw/zinc/60/06/27/1400600627.db2.gz DLKNLLUIWRTRNR-AWEZNQCLSA-N 1 3 334.489 2.042 20 30 EEEDHO C#CC[C@]1(C(=O)NCCN2CCC3(CCCCC3)CC2)CCC[NH2+]1 ZINC001574518074 1403521842 /nfs/dbraw/zinc/52/18/42/1403521842.db2.gz TWGFNNIWDKUKLH-HXUWFJFHSA-N 1 3 331.504 2.294 20 30 EEEDHO C[C@@]1(CNC(=O)[C@H](N)CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560097 1410396993 /nfs/dbraw/zinc/39/69/93/1410396993.db2.gz JBWNIZWPZKKFTA-MJGOQNOKSA-N 1 3 328.460 2.036 20 30 EEEDHO C[C@@]1(CNC(=O)[C@H](N)CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560097 1410397000 /nfs/dbraw/zinc/39/70/00/1410397000.db2.gz JBWNIZWPZKKFTA-MJGOQNOKSA-N 1 3 328.460 2.036 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C(F)(F)F ZINC001112167611 782205347 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CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135743814 784352287 /nfs/dbraw/zinc/35/22/87/784352287.db2.gz PTORIBBEMORXPL-JKSUJKDBSA-N 1 3 330.476 2.273 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977546 784927844 /nfs/dbraw/zinc/92/78/44/784927844.db2.gz VGSBEQUKPZDCEB-KGLIPLIRSA-N 1 3 336.505 2.334 20 30 EEEDHO CN(CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1)C1CCC1 ZINC000996664084 787021371 /nfs/dbraw/zinc/02/13/71/787021371.db2.gz FAJWLZWTEMNYIW-UHFFFAOYSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997344841 789647882 /nfs/dbraw/zinc/64/78/82/789647882.db2.gz KGQKXDBMEJFVPG-MRXNPFEDSA-N 1 3 327.472 2.212 20 30 EEEDHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1)N(C)C ZINC000997855003 791288773 /nfs/dbraw/zinc/28/87/73/791288773.db2.gz ITSQJUHVVGCVHN-LJQANCHMSA-N 1 3 342.487 2.227 20 30 EEEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009349 791826171 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ZINC000262376437 464014501 /nfs/dbraw/zinc/01/45/01/464014501.db2.gz JPRGMHCICIQEAM-LPHOPBHVSA-N 1 3 326.488 2.409 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)cc1 ZINC000264070934 464280025 /nfs/dbraw/zinc/28/00/25/464280025.db2.gz GDDXFGRFTQGHPI-ZDUSSCGKSA-N 1 3 326.391 2.177 20 30 EEEDHO CN(C)CCNC(=O)c1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174411584 464405689 /nfs/dbraw/zinc/40/56/89/464405689.db2.gz QQNSAZWLGZYZFQ-UHFFFAOYSA-N 1 3 330.476 2.398 20 30 EEEDHO C#CCN(C)CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000294100309 464433719 /nfs/dbraw/zinc/43/37/19/464433719.db2.gz YEGNYQJWUKUORT-UHFFFAOYSA-N 1 3 341.499 2.360 20 30 EEEDHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OCC#N)cc1 ZINC000181704404 464522705 /nfs/dbraw/zinc/52/27/05/464522705.db2.gz DQOOBKXYVOXFMV-KRWDZBQOSA-N 1 3 330.476 2.267 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000417063929 466768645 /nfs/dbraw/zinc/76/86/45/466768645.db2.gz OFIVDTBEQCKVRE-KZNAEPCWSA-N 1 3 336.524 2.311 20 30 EEEDHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418715847 467149247 /nfs/dbraw/zinc/14/92/47/467149247.db2.gz YTDUAIVFRGLUAC-INIZCTEOSA-N 1 3 345.491 2.149 20 30 EEEDHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130755 468072868 /nfs/dbraw/zinc/07/28/68/468072868.db2.gz WGNASQRBGDXDAD-XLIONFOSSA-N 1 3 326.488 2.325 20 30 EEEDHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130755 468072871 /nfs/dbraw/zinc/07/28/71/468072871.db2.gz WGNASQRBGDXDAD-XLIONFOSSA-N 1 3 326.488 2.325 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C#N)C(C)(C)C)CC2)CC1 ZINC000577961938 468194520 /nfs/dbraw/zinc/19/45/20/468194520.db2.gz HAIPKQZSZWDJQI-QGZVFWFLSA-N 1 3 334.508 2.237 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](CC#N)C3)CC2)CC1 ZINC000597904807 468707471 /nfs/dbraw/zinc/70/74/71/468707471.db2.gz ULVLDIYLXDWRHG-KRWDZBQOSA-N 1 3 346.519 2.335 20 30 EEEDHO C[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000595409066 468841564 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PHPIWVSNXFTVIA-RLLQIKCJSA-N 1 3 333.520 2.465 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627237 683157447 /nfs/dbraw/zinc/15/74/47/683157447.db2.gz ICXSFENOILOZQT-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627237 683157449 /nfs/dbraw/zinc/15/74/49/683157449.db2.gz ICXSFENOILOZQT-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001027333635 687520188 /nfs/dbraw/zinc/52/01/88/687520188.db2.gz ZDPOYDPTMOSRAP-RBUKOAKNSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001027333635 687520191 /nfs/dbraw/zinc/52/01/91/687520191.db2.gz ZDPOYDPTMOSRAP-RBUKOAKNSA-N 1 3 340.471 2.075 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979074405 694152462 /nfs/dbraw/zinc/15/24/62/694152462.db2.gz CKTNBFGXTZDQRI-LDLYASANSA-N 1 3 327.472 2.232 20 30 EEEDHO 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ZINC001220648963 1298487204 /nfs/dbraw/zinc/48/72/04/1298487204.db2.gz PFDIQPXYYCNNBX-SFHVURJKSA-N 1 3 344.503 2.176 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539235 1299197965 /nfs/dbraw/zinc/19/79/65/1299197965.db2.gz ZOMOCZBEPDHLFA-RDGPPVDQSA-N 1 3 333.520 2.463 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(CC)CC ZINC001099539235 1299197968 /nfs/dbraw/zinc/19/79/68/1299197968.db2.gz ZOMOCZBEPDHLFA-RDGPPVDQSA-N 1 3 333.520 2.463 20 30 EEEDHO C[NH+](C)CCCC(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001224253593 1300511049 /nfs/dbraw/zinc/51/10/49/1300511049.db2.gz NEGXTEIZRZDYPY-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372560 1300951728 /nfs/dbraw/zinc/95/17/28/1300951728.db2.gz JJOWYYKESLNKBJ-GPMSIDNRSA-N 1 3 339.499 2.459 20 30 EEEDHO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372560 1300951731 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2.385 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001121189514 1309946707 /nfs/dbraw/zinc/94/67/07/1309946707.db2.gz QDIDNNRYSUNCOA-UKEPKTAJSA-N 1 3 345.890 2.436 20 30 EEEDHO C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)CCCCCC)C1 ZINC001150451913 1316267434 /nfs/dbraw/zinc/26/74/34/1316267434.db2.gz BVVWZNGPYZFYNS-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)CCCCCC)C1 ZINC001150451913 1316267439 /nfs/dbraw/zinc/26/74/39/1316267439.db2.gz BVVWZNGPYZFYNS-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252929423 1317730499 /nfs/dbraw/zinc/73/04/99/1317730499.db2.gz GXWTXULHPBDCRN-HAGHYFMRSA-N 1 3 325.456 2.390 20 30 EEEDHO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929423 1317730505 /nfs/dbraw/zinc/73/05/05/1317730505.db2.gz GXWTXULHPBDCRN-HAGHYFMRSA-N 1 3 325.456 2.390 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567645 1320200799 /nfs/dbraw/zinc/20/07/99/1320200799.db2.gz HYZJNWPZGHKPJX-LJQANCHMSA-N 1 3 331.504 2.269 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567645 1320200801 /nfs/dbraw/zinc/20/08/01/1320200801.db2.gz HYZJNWPZGHKPJX-LJQANCHMSA-N 1 3 331.504 2.269 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161694629 1320590464 /nfs/dbraw/zinc/59/04/64/1320590464.db2.gz QEYCMSUPTOKASJ-UHFFFAOYSA-N 1 3 343.515 2.270 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001166627412 1321753791 /nfs/dbraw/zinc/75/37/91/1321753791.db2.gz VBYFYSSVYLNAEY-INIZCTEOSA-N 1 3 347.890 2.272 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC)C23CCC3)CC1 ZINC001203769902 1321956854 /nfs/dbraw/zinc/95/68/54/1321956854.db2.gz CKVNNFLDGLOHEO-ROUUACIJSA-N 1 3 331.504 2.149 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443280 1373899846 /nfs/dbraw/zinc/89/98/46/1373899846.db2.gz XYWJHXOKXKGQRB-RTBURBONSA-N 1 3 342.487 2.417 20 30 EEEDHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1)N(C)C ZINC001368517176 1374422859 /nfs/dbraw/zinc/42/28/59/1374422859.db2.gz SOORKTLCNZLHLP-OALUTQOASA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1)N(C)C ZINC001368517176 1374422863 /nfs/dbraw/zinc/42/28/63/1374422863.db2.gz SOORKTLCNZLHLP-OALUTQOASA-N 1 3 342.487 2.369 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC001370219694 1374846795 /nfs/dbraw/zinc/84/67/95/1374846795.db2.gz XDNOUNHLYMZHNK-RBUKOAKNSA-N 1 3 342.487 2.129 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001425914299 1401800737 /nfs/dbraw/zinc/80/07/37/1401800737.db2.gz LWUJNSJALGRZCT-ZIAGYGMSSA-N 1 3 334.489 2.041 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001425914299 1401800741 /nfs/dbraw/zinc/80/07/41/1401800741.db2.gz LWUJNSJALGRZCT-ZIAGYGMSSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001755618349 1407686348 /nfs/dbraw/zinc/68/63/48/1407686348.db2.gz KHACPDCDWOQTLI-HNNXBMFYSA-N 1 3 347.528 2.338 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730145 1411044180 /nfs/dbraw/zinc/04/41/80/1411044180.db2.gz DDHNBQPZZDEOPD-HIFRSBDPSA-N 1 3 327.900 2.345 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730145 1411044187 /nfs/dbraw/zinc/04/41/87/1411044187.db2.gz DDHNBQPZZDEOPD-HIFRSBDPSA-N 1 3 327.900 2.345 20 30 EEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439739 782354658 /nfs/dbraw/zinc/35/46/58/782354658.db2.gz UEHQZVXFBQERCL-HKUYNNGSSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439739 782354665 /nfs/dbraw/zinc/35/46/65/782354665.db2.gz UEHQZVXFBQERCL-HKUYNNGSSA-N 1 3 331.504 2.340 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001210789667 758129861 /nfs/dbraw/zinc/12/98/61/758129861.db2.gz QERCGUMOVJXVAL-KRWDZBQOSA-N 1 3 346.450 2.120 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258518 774203793 /nfs/dbraw/zinc/20/37/93/774203793.db2.gz WJJXBNWMCSUSBI-SLFFLAALSA-N 1 3 343.515 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCC=C)C[C@@H]3C2)CC1 ZINC000980258518 774203797 /nfs/dbraw/zinc/20/37/97/774203797.db2.gz WJJXBNWMCSUSBI-SLFFLAALSA-N 1 3 343.515 2.124 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531168 774571818 /nfs/dbraw/zinc/57/18/18/774571818.db2.gz JKUPJHUWZOVKGO-ZOBUZTSGSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089805936 775956233 /nfs/dbraw/zinc/95/62/33/775956233.db2.gz MFJINDDJYJEBFR-VJANTYMQSA-N 1 3 343.515 2.053 20 30 EEEDHO C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089805936 775956241 /nfs/dbraw/zinc/95/62/41/775956241.db2.gz MFJINDDJYJEBFR-VJANTYMQSA-N 1 3 343.515 2.053 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000997606920 790428352 /nfs/dbraw/zinc/42/83/52/790428352.db2.gz NGOMKCQVGMSUSR-KRWDZBQOSA-N 1 3 346.500 2.042 20 30 EEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032540117 790823090 /nfs/dbraw/zinc/82/30/90/790823090.db2.gz RDMOSVVRPDMOFC-ROUUACIJSA-N 1 3 327.472 2.266 20 30 EEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860220 790871978 /nfs/dbraw/zinc/87/19/78/790871978.db2.gz ADIDCTHAUGJHIF-VKJFTORMSA-N 1 3 325.472 2.354 20 30 EEEDHO C=C(C)CN1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860220 790871990 /nfs/dbraw/zinc/87/19/90/790871990.db2.gz ADIDCTHAUGJHIF-VKJFTORMSA-N 1 3 325.472 2.354 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327205 783517433 /nfs/dbraw/zinc/51/74/33/783517433.db2.gz IALYCZZPQRARGC-CVEARBPZSA-N 1 3 327.900 2.440 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980921 784907567 /nfs/dbraw/zinc/90/75/67/784907567.db2.gz UXGPNSBFDXHKSR-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035857291 785297885 /nfs/dbraw/zinc/29/78/85/785297885.db2.gz LLEFMRQZROXDDG-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C1CCCC1 ZINC001098820611 787362278 /nfs/dbraw/zinc/36/22/78/787362278.db2.gz JSEGMKCRNBPNGX-LPHOPBHVSA-N 1 3 342.487 2.363 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592998 791361579 /nfs/dbraw/zinc/36/15/79/791361579.db2.gz LPYPIMSQGRRZGY-LSDHHAIUSA-N 1 3 348.466 2.410 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998270676 792411700 /nfs/dbraw/zinc/41/17/00/792411700.db2.gz VGNBLPQGUDFPOO-HUUCEWRRSA-N 1 3 347.425 2.416 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190770 793653545 /nfs/dbraw/zinc/65/35/45/793653545.db2.gz WYXADADVAFNSSK-DYXWJJEUSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190770 793653552 /nfs/dbraw/zinc/65/35/52/793653552.db2.gz WYXADADVAFNSSK-DYXWJJEUSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902918 796441575 /nfs/dbraw/zinc/44/15/75/796441575.db2.gz SCARNJQWTCNXHU-WOJBJXKFSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902918 796441580 /nfs/dbraw/zinc/44/15/80/796441580.db2.gz SCARNJQWTCNXHU-WOJBJXKFSA-N 1 3 339.483 2.308 20 30 EEEDHO CN1CCC[C@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976913 797178510 /nfs/dbraw/zinc/17/85/10/797178510.db2.gz XBNMAXGLQDFRDA-JYJNAYRXSA-N 1 3 336.480 2.352 20 30 EEEDHO C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1Cc1cccc(C#N)c1 ZINC000994408009 797959978 /nfs/dbraw/zinc/95/99/78/797959978.db2.gz MKQZSYVXWJKNES-QFBILLFUSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994408009 797959984 /nfs/dbraw/zinc/95/99/84/797959984.db2.gz MKQZSYVXWJKNES-QFBILLFUSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994408009 797959989 /nfs/dbraw/zinc/95/99/89/797959989.db2.gz MKQZSYVXWJKNES-QFBILLFUSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089383407 798284043 /nfs/dbraw/zinc/28/40/43/798284043.db2.gz YGEIACDHXHOSEF-MSOLQXFVSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089383407 798284048 /nfs/dbraw/zinc/28/40/48/798284048.db2.gz YGEIACDHXHOSEF-MSOLQXFVSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC2=CCCCC2)CC1 ZINC001176926547 798631092 /nfs/dbraw/zinc/63/10/92/798631092.db2.gz PFRCMDBXWZLZBP-UHFFFAOYSA-N 1 3 331.504 2.318 20 30 EEEDHO C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182807849 801357250 /nfs/dbraw/zinc/35/72/50/801357250.db2.gz YWQOLLBIKRGXFW-QWFCFKBJSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001086278126 802659601 /nfs/dbraw/zinc/65/96/01/802659601.db2.gz ISCZVICCSRARGS-MAEOIBBWSA-N 1 3 345.512 2.078 20 30 EEEDHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001130615880 811859262 /nfs/dbraw/zinc/85/92/62/811859262.db2.gz UQPNSSOFDKKZOH-UHFFFAOYSA-N 1 3 348.516 2.479 20 30 EEEDHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001130615880 811859267 /nfs/dbraw/zinc/85/92/67/811859267.db2.gz UQPNSSOFDKKZOH-UHFFFAOYSA-N 1 3 348.516 2.479 20 30 EEEDHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001130711624 811960244 /nfs/dbraw/zinc/96/02/44/811960244.db2.gz YHTCJXOIWWOMEC-GOSISDBHSA-N 1 3 346.450 2.024 20 30 EEEDHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001130711624 811960251 /nfs/dbraw/zinc/96/02/51/811960251.db2.gz YHTCJXOIWWOMEC-GOSISDBHSA-N 1 3 346.450 2.024 20 30 EEEDHO C[NH+](C)CCCC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001441744417 1095735275 /nfs/dbraw/zinc/73/52/75/1095735275.db2.gz YELCINBOMICJME-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310467 1098869043 /nfs/dbraw/zinc/86/90/43/1098869043.db2.gz PXTJRQPWPJPYES-APWZRJJASA-N 1 3 342.487 2.275 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903874 464007831 /nfs/dbraw/zinc/00/78/31/464007831.db2.gz PSDOLVUSVVRCIU-APWZRJJASA-N 1 3 346.519 2.295 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178903874 464007839 /nfs/dbraw/zinc/00/78/39/464007839.db2.gz PSDOLVUSVVRCIU-APWZRJJASA-N 1 3 346.519 2.295 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903856 464008371 /nfs/dbraw/zinc/00/83/71/464008371.db2.gz PSDOLVUSVVRCIU-VQIMIIECSA-N 1 3 346.519 2.295 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178903856 464008377 /nfs/dbraw/zinc/00/83/77/464008377.db2.gz PSDOLVUSVVRCIU-VQIMIIECSA-N 1 3 346.519 2.295 20 30 EEEDHO CC(C)[NH+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280921105 464276252 /nfs/dbraw/zinc/27/62/52/464276252.db2.gz VFHSRYHOMMFALE-GOSISDBHSA-N 1 3 326.444 2.476 20 30 EEEDHO CCCCNC(=[NH2+])NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000264080907 464281417 /nfs/dbraw/zinc/28/14/17/464281417.db2.gz HHHZCLVWMAEDPV-UHFFFAOYSA-N 1 3 331.508 2.029 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000371596259 465894017 /nfs/dbraw/zinc/89/40/17/465894017.db2.gz FUCBMHHOSFJCJO-QGZVFWFLSA-N 1 3 334.508 2.343 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000371596259 465894025 /nfs/dbraw/zinc/89/40/25/465894025.db2.gz FUCBMHHOSFJCJO-QGZVFWFLSA-N 1 3 334.508 2.343 20 30 EEEDHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530231630 467966411 /nfs/dbraw/zinc/96/64/11/467966411.db2.gz SBSHXDQBUCPSPQ-SFHVURJKSA-N 1 3 331.460 2.008 20 30 EEEDHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000603119880 469271882 /nfs/dbraw/zinc/27/18/82/469271882.db2.gz NFEVCXQFWPPRTC-LJQANCHMSA-N 1 3 345.487 2.496 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000602570814 485643741 /nfs/dbraw/zinc/64/37/41/485643741.db2.gz UHOYDSPKEHFPNJ-NEWSRXKRSA-N 1 3 349.519 2.443 20 30 EEEDHO C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000349989895 533724082 /nfs/dbraw/zinc/72/40/82/533724082.db2.gz HFGUHQSRWNBZGM-YOEHRIQHSA-N 1 3 326.444 2.333 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000377208348 526926567 /nfs/dbraw/zinc/92/65/67/526926567.db2.gz JTDWSALZBALLFN-LJQANCHMSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000377208348 526926572 /nfs/dbraw/zinc/92/65/72/526926572.db2.gz JTDWSALZBALLFN-LJQANCHMSA-N 1 3 331.504 2.245 20 30 EEEDHO N#Cc1ccc(CN[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)s1 ZINC000970787917 676152317 /nfs/dbraw/zinc/15/23/17/676152317.db2.gz GQFVLNMADHEJSI-OAHLLOKOSA-N 1 3 346.500 2.186 20 30 EEEDHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707847 676366773 /nfs/dbraw/zinc/36/67/73/676366773.db2.gz YSYNXHKDPJXDEI-PMACEKPBSA-N 1 3 345.531 2.443 20 30 EEEDHO CC[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158112531 678332131 /nfs/dbraw/zinc/33/21/31/678332131.db2.gz PACWDVJXSUEUSC-LNLFQRSKSA-N 1 3 336.524 2.185 20 30 EEEDHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001026886317 685261403 /nfs/dbraw/zinc/26/14/03/685261403.db2.gz VGEMQRNESLLIEL-AWEZNQCLSA-N 1 3 346.500 2.042 20 30 EEEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262477434 686279131 /nfs/dbraw/zinc/27/91/31/686279131.db2.gz ZZKRUHIRGROIQG-GVDBMIGSSA-N 1 3 334.508 2.005 20 30 EEEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985653263 687397472 /nfs/dbraw/zinc/39/74/72/687397472.db2.gz KGDLNXVJYBDQQA-SFHVURJKSA-N 1 3 325.472 2.308 20 30 EEEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985653263 687397475 /nfs/dbraw/zinc/39/74/75/687397475.db2.gz KGDLNXVJYBDQQA-SFHVURJKSA-N 1 3 325.472 2.308 20 30 EEEDHO C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986833770 688989272 /nfs/dbraw/zinc/98/92/72/688989272.db2.gz ZSCBTKKTUBVSAY-CXAGYDPISA-N 1 3 346.500 2.041 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943518900 1192328804 /nfs/dbraw/zinc/32/88/04/1192328804.db2.gz UDULCCUNQKWLSU-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001754639126 1179126982 /nfs/dbraw/zinc/12/69/82/1179126982.db2.gz WSIUXVIKJRPTIG-UHFFFAOYSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088382292 1186754810 /nfs/dbraw/zinc/75/48/10/1186754810.db2.gz YMPWNRLCYYXVLN-GOEBONIOSA-N 1 3 327.900 2.442 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001088382292 1186754815 /nfs/dbraw/zinc/75/48/15/1186754815.db2.gz YMPWNRLCYYXVLN-GOEBONIOSA-N 1 3 327.900 2.442 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604325 1189034583 /nfs/dbraw/zinc/03/45/83/1189034583.db2.gz YKJDRQNMEPMCIG-RBUKOAKNSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604325 1189034586 /nfs/dbraw/zinc/03/45/86/1189034586.db2.gz YKJDRQNMEPMCIG-RBUKOAKNSA-N 1 3 327.472 2.471 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728011 1191487475 /nfs/dbraw/zinc/48/74/75/1191487475.db2.gz XPAXGMVPDCWQPB-IBGZPJMESA-N 1 3 342.487 2.371 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728011 1191487476 /nfs/dbraw/zinc/48/74/76/1191487476.db2.gz XPAXGMVPDCWQPB-IBGZPJMESA-N 1 3 342.487 2.371 20 30 EEEDHO C=CCOCCN1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519200 1199804476 /nfs/dbraw/zinc/80/44/76/1199804476.db2.gz VAXOGHLRVSCLOM-MSOLQXFVSA-N 1 3 337.508 2.034 20 30 EEEDHO CC[C@@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)[NH+](CC)CC ZINC001133685223 1201198288 /nfs/dbraw/zinc/19/82/88/1201198288.db2.gz QWVDLEMWAWOJCQ-KRWDZBQOSA-N 1 3 334.439 2.024 20 30 EEEDHO Cc1ccc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275374381 1205327572 /nfs/dbraw/zinc/32/75/72/1205327572.db2.gz XJRPWPPSOMWXSO-UHFFFAOYSA-N 1 3 326.488 2.326 20 30 EEEDHO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000303897868 1213922532 /nfs/dbraw/zinc/92/25/32/1213922532.db2.gz VFQUQEZMMAGRNL-MRXNPFEDSA-N 1 3 347.507 2.084 20 30 EEEDHO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001114835989 1215697391 /nfs/dbraw/zinc/69/73/91/1215697391.db2.gz VPLRYARYXYHFNE-PASDCYSWSA-N 1 3 337.483 2.212 20 30 EEEDHO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001114835989 1215697392 /nfs/dbraw/zinc/69/73/92/1215697392.db2.gz VPLRYARYXYHFNE-PASDCYSWSA-N 1 3 337.483 2.212 20 30 EEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000960292175 1216476851 /nfs/dbraw/zinc/47/68/51/1216476851.db2.gz UEYNFUGWEDFBFW-AQNXPRMDSA-N 1 3 339.483 2.419 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961375766 1217164122 /nfs/dbraw/zinc/16/41/22/1217164122.db2.gz QIFIWCDQYZHTLH-WOJBJXKFSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961375766 1217164124 /nfs/dbraw/zinc/16/41/24/1217164124.db2.gz QIFIWCDQYZHTLH-WOJBJXKFSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016620950 1226694406 /nfs/dbraw/zinc/69/44/06/1226694406.db2.gz NNTQUGXMHRRGIX-KRWDZBQOSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](CCC2CC2)CC3)CC1 ZINC001016987150 1227016122 /nfs/dbraw/zinc/01/61/22/1227016122.db2.gz WEKICRNLJLDVQN-IBGZPJMESA-N 1 3 343.515 2.102 20 30 EEEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001018873336 1228475780 /nfs/dbraw/zinc/47/57/80/1228475780.db2.gz OUNBGBPZHTZVGF-RRQGHBQHSA-N 1 3 346.500 2.041 20 30 EEEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001018873336 1228475782 /nfs/dbraw/zinc/47/57/82/1228475782.db2.gz OUNBGBPZHTZVGF-RRQGHBQHSA-N 1 3 346.500 2.041 20 30 EEEDHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018990182 1228610565 /nfs/dbraw/zinc/61/05/65/1228610565.db2.gz FHEAWGURJMVKPH-LSDHHAIUSA-N 1 3 346.500 2.185 20 30 EEEDHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001018990182 1228610569 /nfs/dbraw/zinc/61/05/69/1228610569.db2.gz FHEAWGURJMVKPH-LSDHHAIUSA-N 1 3 346.500 2.185 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001019820353 1229362548 /nfs/dbraw/zinc/36/25/48/1229362548.db2.gz HDDZPMGXTUTZDG-YOEHRIQHSA-N 1 3 346.500 2.185 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001039239786 1230473554 /nfs/dbraw/zinc/47/35/54/1230473554.db2.gz SGZOSDDJBKEUPI-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001039239786 1230473555 /nfs/dbraw/zinc/47/35/55/1230473555.db2.gz SGZOSDDJBKEUPI-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942843 1234201917 /nfs/dbraw/zinc/20/19/17/1234201917.db2.gz BEIHJXMOMTVGCD-AZUAARDMSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942843 1234201920 /nfs/dbraw/zinc/20/19/20/1234201920.db2.gz BEIHJXMOMTVGCD-AZUAARDMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001045945208 1234206200 /nfs/dbraw/zinc/20/62/00/1234206200.db2.gz ORTNXCXQCYMVMA-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945208 1234206205 /nfs/dbraw/zinc/20/62/05/1234206205.db2.gz ORTNXCXQCYMVMA-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001045947595 1234209873 /nfs/dbraw/zinc/20/98/73/1234209873.db2.gz MVVGBCQIZYDDGK-HXUWFJFHSA-N 1 3 343.515 2.200 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001046849217 1235246292 /nfs/dbraw/zinc/24/62/92/1235246292.db2.gz CPQXOCUJZPDSJO-NRFANRHFSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001046849217 1235246294 /nfs/dbraw/zinc/24/62/94/1235246294.db2.gz CPQXOCUJZPDSJO-NRFANRHFSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](C/C=C\Cl)C3)CC1 ZINC001047209721 1235673389 /nfs/dbraw/zinc/67/33/89/1235673389.db2.gz WOAVDUZUIOLHSI-NWWYLMPXSA-N 1 3 349.906 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C/C=C\Cl)C3)CC1 ZINC001047209721 1235673390 /nfs/dbraw/zinc/67/33/90/1235673390.db2.gz WOAVDUZUIOLHSI-NWWYLMPXSA-N 1 3 349.906 2.053 20 30 EEEDHO C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047255593 1235758714 /nfs/dbraw/zinc/75/87/14/1235758714.db2.gz BGASKGQXHJISOT-PKOBYXMFSA-N 1 3 333.520 2.465 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]C(C)C)CC2)CC1 ZINC001048624278 1238128840 /nfs/dbraw/zinc/12/88/40/1238128840.db2.gz NQJVXHYYWOOUCV-IYARVYRRSA-N 1 3 333.520 2.252 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C3CC[NH+](CCCC)CC3)CC2)CC1 ZINC001000336218 1240181217 /nfs/dbraw/zinc/18/12/17/1240181217.db2.gz YYOLSILRBQIUST-UHFFFAOYSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+](C)CC)CC1 ZINC001050255289 1243191815 /nfs/dbraw/zinc/19/18/15/1243191815.db2.gz YQSNXQXRFXPOLR-UHFFFAOYSA-N 1 3 327.472 2.100 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+](C)CC)CC1 ZINC001050255289 1243191818 /nfs/dbraw/zinc/19/18/18/1243191818.db2.gz YQSNXQXRFXPOLR-UHFFFAOYSA-N 1 3 327.472 2.100 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053099719 1245904427 /nfs/dbraw/zinc/90/44/27/1245904427.db2.gz XZWILHVLTRCISB-OALUTQOASA-N 1 3 345.531 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349.519 2.127 20 30 EEEDHO C=CCCCN1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001218100786 1297569584 /nfs/dbraw/zinc/56/95/84/1297569584.db2.gz BYXGVBWKMHUZGM-CEXWTWQISA-N 1 3 349.519 2.127 20 30 EEEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537918 1298052561 /nfs/dbraw/zinc/05/25/61/1298052561.db2.gz RNKOAFLVXLPZBW-DAYGRLMNSA-N 1 3 348.406 2.035 20 30 EEEDHO C#CCCN(CCCNC(=O)CCCC[NH+](C)C)Cc1cccnc1 ZINC001230905490 1303538900 /nfs/dbraw/zinc/53/89/00/1303538900.db2.gz GOJVXKHBBQHOQE-UHFFFAOYSA-N 1 3 344.503 2.145 20 30 EEEDHO C[NH+]1CCC(CN2CCN(Cc3ccccc3CC#N)CC2)CC1 ZINC001235528244 1305268578 /nfs/dbraw/zinc/26/85/78/1305268578.db2.gz PEZFDUUPLMYJAU-UHFFFAOYSA-N 1 3 326.488 2.212 20 30 EEEDHO C[NH+](C)CCC(=O)NCC1(NCC#Cc2ccccc2)CCCCC1 ZINC001115707972 1305643866 /nfs/dbraw/zinc/64/38/66/1305643866.db2.gz HEYAVVDVGSERFH-UHFFFAOYSA-N 1 3 341.499 2.399 20 30 EEEDHO C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001150333357 1316236983 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CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCCNCc1ccccc1C#N ZINC001159909774 1320017764 /nfs/dbraw/zinc/01/77/64/1320017764.db2.gz NFIVAUQBVVBPRH-IBGZPJMESA-N 1 3 342.487 2.417 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCCNCc1ccccc1C#N ZINC001159909774 1320017767 /nfs/dbraw/zinc/01/77/67/1320017767.db2.gz NFIVAUQBVVBPRH-IBGZPJMESA-N 1 3 342.487 2.417 20 30 EEEDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)c(Cl)c1 ZINC001276436496 1322021559 /nfs/dbraw/zinc/02/15/59/1322021559.db2.gz QQXHDFGEHHOFKQ-ROUUACIJSA-N 1 3 332.879 2.422 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685736 1323244885 /nfs/dbraw/zinc/24/48/85/1323244885.db2.gz GNHCDTZUVKSGGC-PKOBYXMFSA-N 1 3 345.462 2.073 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001208453788 1324506305 /nfs/dbraw/zinc/50/63/05/1324506305.db2.gz OBTALNYCZYROMY-IBGZPJMESA-N 1 3 341.499 2.349 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001208453788 1324506310 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/nfs/dbraw/zinc/96/50/80/770965080.db2.gz DMINGSABINYWAF-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473427 782894479 /nfs/dbraw/zinc/89/44/79/782894479.db2.gz GXMYEAWGKACFTL-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCN1CCC)CCO2 ZINC000949108613 778505695 /nfs/dbraw/zinc/50/56/95/778505695.db2.gz QVUFPNGLSMYTMK-GOSISDBHSA-N 1 3 349.519 2.130 20 30 EEEDHO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239726 784162794 /nfs/dbraw/zinc/16/27/94/784162794.db2.gz YXKRRYUWMGFRGR-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035239726 784162800 /nfs/dbraw/zinc/16/28/00/784162800.db2.gz YXKRRYUWMGFRGR-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980182 784906362 /nfs/dbraw/zinc/90/63/62/784906362.db2.gz MDTUYQXFSJTXPV-HUUCEWRRSA-N 1 3 348.466 2.412 20 30 EEEDHO C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585547 791338548 /nfs/dbraw/zinc/33/85/48/791338548.db2.gz ZVBVURBFIBTVHG-SJORKVTESA-N 1 3 347.503 2.437 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590854 791360616 /nfs/dbraw/zinc/36/06/16/791360616.db2.gz CEMPJLRIXGALOY-JKSUJKDBSA-N 1 3 330.476 2.271 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001146610154 791373616 /nfs/dbraw/zinc/37/36/16/791373616.db2.gz IACMCRWXUBWDRV-HZPDHXFCSA-N 1 3 347.528 2.466 20 30 EEEDHO C#CCN1CCC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000998171954 792125686 /nfs/dbraw/zinc/12/56/86/792125686.db2.gz SKNVSFLNAKCZDK-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C(F)(F)F ZINC000998318532 792570472 /nfs/dbraw/zinc/57/04/72/792570472.db2.gz ZUZBJRMETRAJGX-HUUCEWRRSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941641 793032806 /nfs/dbraw/zinc/03/28/06/793032806.db2.gz ZLRJHTCCQCMSJD-GOSISDBHSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298000 793774548 /nfs/dbraw/zinc/77/45/48/793774548.db2.gz JFBXXVPABCSSHC-CTNGQTDRSA-N 1 3 339.483 2.165 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298000 793774552 /nfs/dbraw/zinc/77/45/52/793774552.db2.gz JFBXXVPABCSSHC-CTNGQTDRSA-N 1 3 339.483 2.165 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198792 794446050 /nfs/dbraw/zinc/44/60/50/794446050.db2.gz RPOGKTVAKCYVAZ-AYOQOUSVSA-N 1 3 345.462 2.238 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC(=C)C)CC3)CC1 ZINC000992515587 794472532 /nfs/dbraw/zinc/47/25/32/794472532.db2.gz ZEXGNIFBFFPLNY-PZJWPPBQSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC(=C)C)CC3)CC1 ZINC000992515587 794472538 /nfs/dbraw/zinc/47/25/38/794472538.db2.gz ZEXGNIFBFFPLNY-PZJWPPBQSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992691364 795106565 /nfs/dbraw/zinc/10/65/65/795106565.db2.gz NRSWPKNGPIOIDE-FGTMMUONSA-N 1 3 331.504 2.101 20 30 EEEDHO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](OC)C1 ZINC001212434751 795709767 /nfs/dbraw/zinc/70/97/67/795709767.db2.gz GSHPMKRLYBMTGL-KURKYZTESA-N 1 3 339.524 2.134 20 30 EEEDHO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](OC)C1 ZINC001212434751 795709769 /nfs/dbraw/zinc/70/97/69/795709769.db2.gz GSHPMKRLYBMTGL-KURKYZTESA-N 1 3 339.524 2.134 20 30 EEEDHO CC[NH+](CC)CCN1CCN([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172309075 796951477 /nfs/dbraw/zinc/95/14/77/796951477.db2.gz QAXPRBUIRVIWOE-SFHVURJKSA-N 1 3 328.504 2.449 20 30 EEEDHO C#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078818945 797023957 /nfs/dbraw/zinc/02/39/57/797023957.db2.gz GASGWCNXZOGTTA-MSOLQXFVSA-N 1 3 325.456 2.012 20 30 EEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@H]1C ZINC001177415880 798933785 /nfs/dbraw/zinc/93/37/85/798933785.db2.gz MRHXHRHELOETLP-GOSISDBHSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179591292 799998040 /nfs/dbraw/zinc/99/80/40/799998040.db2.gz STIOOKLRFZLFAP-LJQANCHMSA-N 1 3 339.499 2.488 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758800 803193520 /nfs/dbraw/zinc/19/35/20/803193520.db2.gz VEURWWFUKCITFS-CALCHBBNSA-N 1 3 339.911 2.251 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765273 803327354 /nfs/dbraw/zinc/32/73/54/803327354.db2.gz KUENYTNSIHICTQ-IXDOHACOSA-N 1 3 341.927 2.496 20 30 EEEDHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC001438527973 1091020206 /nfs/dbraw/zinc/02/02/06/1091020206.db2.gz GOWWJFOPXMAFMA-MRXNPFEDSA-N 1 3 344.503 2.378 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CC[C@@](C)(CNCc2ccccc2C#N)C1 ZINC001439880365 1092928880 /nfs/dbraw/zinc/92/88/80/1092928880.db2.gz AZMXXWHUURWXHN-FQEVSTJZSA-N 1 3 342.487 2.228 20 30 EEEDHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C#N)c1 ZINC001442942697 1097355066 /nfs/dbraw/zinc/35/50/66/1097355066.db2.gz VKYIVXFBFRFBKD-UHFFFAOYSA-N 1 3 342.487 2.371 20 30 EEEDHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C#N)c1 ZINC001442942697 1097355069 /nfs/dbraw/zinc/35/50/69/1097355069.db2.gz VKYIVXFBFRFBKD-UHFFFAOYSA-N 1 3 342.487 2.371 20 30 EEEDHO C=C(Br)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CN(C)CCC ZINC001445105376 1100330820 /nfs/dbraw/zinc/33/08/20/1100330820.db2.gz GDNVDVDDTNHPDW-ZIAGYGMSSA-N 1 3 346.313 2.111 20 30 EEEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C(C)C ZINC000422830940 240252773 /nfs/dbraw/zinc/25/27/73/240252773.db2.gz JAKQHZPRPUGZDG-IYWMVGAKSA-N 1 3 335.536 2.432 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491815646 533148162 /nfs/dbraw/zinc/14/81/62/533148162.db2.gz VEHLWRXFZSUKNL-OAQYLSRUSA-N 1 3 339.483 2.112 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491815646 533148166 /nfs/dbraw/zinc/14/81/66/533148166.db2.gz VEHLWRXFZSUKNL-OAQYLSRUSA-N 1 3 339.483 2.112 20 30 EEEDHO C#CCNC(=O)CCNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000491384793 533164153 /nfs/dbraw/zinc/16/41/53/533164153.db2.gz PNSFWIBEXLYICG-UHFFFAOYSA-N 1 3 327.472 2.148 20 30 EEEDHO C=CCN1CCC(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269254287 255553924 /nfs/dbraw/zinc/55/39/24/255553924.db2.gz JCEAAOZNZKRZSK-UHFFFAOYSA-N 1 3 340.471 2.370 20 30 EEEDHO C[C@H](C(=O)N(C)CCC#N)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121722162 463183700 /nfs/dbraw/zinc/18/37/00/463183700.db2.gz BRCVWJZLGYDKSP-QGZVFWFLSA-N 1 3 334.508 2.335 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)cn1 ZINC000185591498 463847251 /nfs/dbraw/zinc/84/72/51/463847251.db2.gz LDBLOICCRXBNAR-QGZVFWFLSA-N 1 3 338.459 2.032 20 30 EEEDHO CCCC(=O)Nc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000264079774 464281344 /nfs/dbraw/zinc/28/13/44/464281344.db2.gz GWUZZHMFDHZQQH-QGZVFWFLSA-N 1 3 345.491 2.314 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000264079263 464281463 /nfs/dbraw/zinc/28/14/63/464281463.db2.gz ICUZPZJDXXEOSX-IAGOWNOFSA-N 1 3 347.507 2.195 20 30 EEEDHO C#CCN(C)CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000293897097 464425037 /nfs/dbraw/zinc/42/50/37/464425037.db2.gz DZDSBDOQDRZKTF-UHFFFAOYSA-N 1 3 327.472 2.357 20 30 EEEDHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000281791978 464588178 /nfs/dbraw/zinc/58/81/78/464588178.db2.gz UPLCCGCJFWDXAR-ZWKOTPCHSA-N 1 3 329.444 2.034 20 30 EEEDHO C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)CN1CCN(C)CC1 ZINC000267336751 464926101 /nfs/dbraw/zinc/92/61/01/464926101.db2.gz RZCIJQZGUYWYLV-INIZCTEOSA-N 1 3 343.519 2.176 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000417058863 466767717 /nfs/dbraw/zinc/76/77/17/466767717.db2.gz GTJZMELEPAWSPR-FGTMMUONSA-N 1 3 336.524 2.454 20 30 EEEDHO C[C@H](NC(=O)[C@@H](N)CCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424179634 466997878 /nfs/dbraw/zinc/99/78/78/466997878.db2.gz ZEFLYLVZGLQEOA-SZMVWBNQSA-N 1 3 328.460 2.034 20 30 EEEDHO C[C@H](NC(=O)[C@@H](N)CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424179634 466997882 /nfs/dbraw/zinc/99/78/82/466997882.db2.gz ZEFLYLVZGLQEOA-SZMVWBNQSA-N 1 3 328.460 2.034 20 30 EEEDHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000515235050 467981502 /nfs/dbraw/zinc/98/15/02/467981502.db2.gz XIXGSUCLIBBOFB-SFHVURJKSA-N 1 3 331.460 2.008 20 30 EEEDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000550157216 468209409 /nfs/dbraw/zinc/20/94/09/468209409.db2.gz VISIEXLJAKFQPY-IYBDPMFKSA-N 1 3 340.475 2.449 20 30 EEEDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000550157216 468209412 /nfs/dbraw/zinc/20/94/12/468209412.db2.gz VISIEXLJAKFQPY-IYBDPMFKSA-N 1 3 340.475 2.449 20 30 EEEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]CC)CC1 ZINC000246075977 679189596 /nfs/dbraw/zinc/18/95/96/679189596.db2.gz BUWHOQRWYLEDLM-RCCFBDPRSA-N 1 3 346.519 2.150 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001025629251 683160374 /nfs/dbraw/zinc/16/03/74/683160374.db2.gz DWCIDAZACWXREY-PKOBYXMFSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001025629251 683160375 /nfs/dbraw/zinc/16/03/75/683160375.db2.gz DWCIDAZACWXREY-PKOBYXMFSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631232 683169357 /nfs/dbraw/zinc/16/93/57/683169357.db2.gz YSGLFPNICKTMDZ-DLBZAZTESA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631232 683169363 /nfs/dbraw/zinc/16/93/63/683169363.db2.gz YSGLFPNICKTMDZ-DLBZAZTESA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631232 683169365 /nfs/dbraw/zinc/16/93/65/683169365.db2.gz YSGLFPNICKTMDZ-DLBZAZTESA-N 1 3 327.472 2.212 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]12 ZINC001026385556 684519204 /nfs/dbraw/zinc/51/92/04/684519204.db2.gz CWNXQWITLXHGBC-IXDOHACOSA-N 1 3 339.911 2.297 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686913 685224888 /nfs/dbraw/zinc/22/48/88/685224888.db2.gz ZEZUYTOPEWTZTF-MSOLQXFVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974686913 685224890 /nfs/dbraw/zinc/22/48/90/685224890.db2.gz ZEZUYTOPEWTZTF-MSOLQXFVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977449414 692634565 /nfs/dbraw/zinc/63/45/65/692634565.db2.gz JPRLCRZLIWJEMI-ROUUACIJSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977449414 692634568 /nfs/dbraw/zinc/63/45/68/692634568.db2.gz JPRLCRZLIWJEMI-ROUUACIJSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(C)C)C[C@@H]2C)CC1 ZINC000945179428 1193414725 /nfs/dbraw/zinc/41/47/25/1193414725.db2.gz IVHBEEJNZSQQTR-PKOBYXMFSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)CC1 ZINC000945179428 1193414727 /nfs/dbraw/zinc/41/47/27/1193414727.db2.gz IVHBEEJNZSQQTR-PKOBYXMFSA-N 1 3 333.520 2.204 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001105438466 1187119919 /nfs/dbraw/zinc/11/99/19/1187119919.db2.gz IMLMHDDEDICHPA-HFSMHLIXSA-N 1 3 341.499 2.463 20 30 EEEDHO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001484356223 1191316399 /nfs/dbraw/zinc/31/63/99/1191316399.db2.gz UXFBWDFTLKMXAK-HZPDHXFCSA-N 1 3 327.900 2.297 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCN(C)c1ccccc1 ZINC000303905504 1213923467 /nfs/dbraw/zinc/92/34/67/1213923467.db2.gz ZLRXPGMGHDNXJI-SFHVURJKSA-N 1 3 331.508 2.292 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C2)CC1 ZINC001016336069 1226359348 /nfs/dbraw/zinc/35/93/48/1226359348.db2.gz HYCMKMNKIOGEIW-IBGZPJMESA-N 1 3 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CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677982 1231647220 /nfs/dbraw/zinc/64/72/20/1231647220.db2.gz FGDASGGGOCKTIJ-PMACEKPBSA-N 1 3 349.494 2.147 20 30 EEEDHO CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677982 1231647223 /nfs/dbraw/zinc/64/72/23/1231647223.db2.gz FGDASGGGOCKTIJ-PMACEKPBSA-N 1 3 349.494 2.147 20 30 EEEDHO CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001047226775 1235700469 /nfs/dbraw/zinc/70/04/69/1235700469.db2.gz XHYHFWUGZQIJTA-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001047243974 1235734685 /nfs/dbraw/zinc/73/46/85/1235734685.db2.gz OILOQUFJGSJRES-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001047243974 1235734690 /nfs/dbraw/zinc/73/46/90/1235734690.db2.gz OILOQUFJGSJRES-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@@H](F)CC)CC3)CC1 ZINC001050765820 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C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036224847 786055690 /nfs/dbraw/zinc/05/56/90/786055690.db2.gz MBIOUBYEKPOPFZ-HOCLYGCPSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC(C)C)CC2)CC1 ZINC000997874424 791328989 /nfs/dbraw/zinc/32/89/89/791328989.db2.gz MUMKEBTWOBLCPH-KRWDZBQOSA-N 1 3 333.520 2.204 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594829 791366565 /nfs/dbraw/zinc/36/65/65/791366565.db2.gz VHRVLCRRQQXLGL-ROUUACIJSA-N 1 3 329.488 2.251 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F)CC1 ZINC001146611633 791374972 /nfs/dbraw/zinc/37/49/72/791374972.db2.gz NDGIEINPTGLCFE-KGLIPLIRSA-N 1 3 347.425 2.157 20 30 EEEDHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1)N(C)C ZINC000998086697 791932731 /nfs/dbraw/zinc/93/27/31/791932731.db2.gz RBIZZHWYQNPXPF-KRWDZBQOSA-N 1 3 348.516 2.288 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)C3)C2)CC1 ZINC001086882376 792892653 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EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC(CC)CC)CC2)CC1 ZINC001004202218 801255309 /nfs/dbraw/zinc/25/53/09/801255309.db2.gz WEXKZZLCLAJRFQ-UHFFFAOYSA-N 1 3 333.520 2.348 20 30 EEEDHO C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349471 803336747 /nfs/dbraw/zinc/33/67/47/803336747.db2.gz HDYAZSFSNXRNPK-HKUYNNGSSA-N 1 3 339.524 2.280 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464579 812865611 /nfs/dbraw/zinc/86/56/11/812865611.db2.gz WGCHHAYRWMAZBZ-QYZOEREBSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001131512031 812928524 /nfs/dbraw/zinc/92/85/24/812928524.db2.gz JYTDBNQDDXIYPA-QUCCMNQESA-N 1 3 349.519 2.033 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001437323968 1089488599 /nfs/dbraw/zinc/48/85/99/1089488599.db2.gz DXTAURZSMRETAI-RBUKOAKNSA-N 1 3 342.487 2.417 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001437323968 1089488608 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C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000563191986 469193852 /nfs/dbraw/zinc/19/38/52/469193852.db2.gz DMCGGXJPZVLJBP-KXBFYZLASA-N 1 3 338.455 2.429 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000669465272 471507309 /nfs/dbraw/zinc/50/73/09/471507309.db2.gz OSGHAXFEBWSMLP-SJORKVTESA-N 1 3 334.508 2.058 20 30 EEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087734986 782155714 /nfs/dbraw/zinc/15/57/14/782155714.db2.gz JUSVHRNLIRMAOA-FUMNGEBKSA-N 1 3 341.499 2.487 20 30 EEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087734986 782155719 /nfs/dbraw/zinc/15/57/19/782155719.db2.gz JUSVHRNLIRMAOA-FUMNGEBKSA-N 1 3 341.499 2.487 20 30 EEEDHO C=C(C)CN1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000729942778 576696790 /nfs/dbraw/zinc/69/67/90/576696790.db2.gz RHTHFXTXARDKOU-UHFFFAOYSA-N 1 3 326.554 2.079 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](C)CC)CC1 ZINC001021469460 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331.504 2.102 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000975062786 686091024 /nfs/dbraw/zinc/09/10/24/686091024.db2.gz ONIRQMRVPNCWSP-LJQANCHMSA-N 1 3 341.499 2.254 20 30 EEEDHO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576865 693161261 /nfs/dbraw/zinc/16/12/61/693161261.db2.gz YTMKKSLPHHMVNS-CRAIPNDOSA-N 1 3 325.472 2.308 20 30 EEEDHO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027576865 693161264 /nfs/dbraw/zinc/16/12/64/693161264.db2.gz YTMKKSLPHHMVNS-CRAIPNDOSA-N 1 3 325.472 2.308 20 30 EEEDHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001107039306 1192995938 /nfs/dbraw/zinc/99/59/38/1192995938.db2.gz QLPDCVAQRLYERA-VQIMIIECSA-N 1 3 342.487 2.083 20 30 EEEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105566237 1188185863 /nfs/dbraw/zinc/18/58/63/1188185863.db2.gz HHHYPYBWCJNNHJ-ZWKOTPCHSA-N 1 3 333.520 2.491 20 30 EEEDHO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001483266190 1190291351 /nfs/dbraw/zinc/29/13/51/1190291351.db2.gz GIOUYROKNSTEKQ-HNNXBMFYSA-N 1 3 330.476 2.130 20 30 EEEDHO CN(CC(C)(C)CNCc1ccccc1C#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485264216 1191710174 /nfs/dbraw/zinc/71/01/74/1191710174.db2.gz CVZAMFWVLZKNCU-SFHVURJKSA-N 1 3 342.487 2.084 20 30 EEEDHO CN(CC(C)(C)CNCc1ccccc1C#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485264216 1191710177 /nfs/dbraw/zinc/71/01/77/1191710177.db2.gz CVZAMFWVLZKNCU-SFHVURJKSA-N 1 3 342.487 2.084 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034045243 1195697200 /nfs/dbraw/zinc/69/72/00/1195697200.db2.gz IXQZXCQVKQSHBQ-IBGZPJMESA-N 1 3 327.472 2.308 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001034045243 1195697202 /nfs/dbraw/zinc/69/72/02/1195697202.db2.gz IXQZXCQVKQSHBQ-IBGZPJMESA-N 1 3 327.472 2.308 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCC(=C)C)C2)CC1 ZINC001034539201 1196363906 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FDNDGWLTKKBVQZ-QZTJIDSGSA-N 1 3 339.524 2.021 20 30 EEEDHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)CC1 ZINC000818220884 785223264 /nfs/dbraw/zinc/22/32/64/785223264.db2.gz NXQBSBGDNROROY-SFHVURJKSA-N 1 3 343.475 2.177 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000996993251 788377141 /nfs/dbraw/zinc/37/71/41/788377141.db2.gz CAGQFMAVBVEGBG-CQSZACIVSA-N 1 3 346.500 2.185 20 30 EEEDHO C=C(C)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998308285 792538932 /nfs/dbraw/zinc/53/89/32/792538932.db2.gz YXMQKVPZHQITHV-KBPBESRZSA-N 1 3 345.409 2.027 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942303 793034434 /nfs/dbraw/zinc/03/44/34/793034434.db2.gz NQROPLVGUHRJOG-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001086958490 793103619 /nfs/dbraw/zinc/10/36/19/793103619.db2.gz SKAIPWDCCQWAJB-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CCN1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@H]12 ZINC000992400446 793965480 /nfs/dbraw/zinc/96/54/80/793965480.db2.gz DQLCHFIMNDAPSW-ICSRJNTNSA-N 1 3 331.504 2.408 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCC)CC1 ZINC001110152354 795835179 /nfs/dbraw/zinc/83/51/79/795835179.db2.gz PUHHDJBLFODKLL-QYZOEREBSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCC)CC1 ZINC001110152354 795835185 /nfs/dbraw/zinc/83/51/85/795835185.db2.gz PUHHDJBLFODKLL-QYZOEREBSA-N 1 3 331.504 2.243 20 30 EEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106665738 796072057 /nfs/dbraw/zinc/07/20/57/796072057.db2.gz ADXHYAMNDZWRIO-MDZRGWNJSA-N 1 3 339.499 2.459 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC000993803913 797031181 /nfs/dbraw/zinc/03/11/81/797031181.db2.gz JVPSOQXACGGVCB-YLJYHZDGSA-N 1 3 341.499 2.397 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]C/C=C/c2ccccc2)CC1 ZINC001176926405 798630994 /nfs/dbraw/zinc/63/09/94/798630994.db2.gz KTAGFNLGYACKHT-UXBLZVDNSA-N 1 3 339.483 2.141 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]C/C=C/Cl)CC1 ZINC001180360263 800377177 /nfs/dbraw/zinc/37/71/77/800377177.db2.gz APCSWGKDCHTQER-JXMROGBWSA-N 1 3 339.911 2.350 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004619037 802496112 /nfs/dbraw/zinc/49/61/12/802496112.db2.gz JPKIYNGMKXWOLV-RBUKOAKNSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004619037 802496116 /nfs/dbraw/zinc/49/61/16/802496116.db2.gz JPKIYNGMKXWOLV-RBUKOAKNSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001086558526 807240320 /nfs/dbraw/zinc/24/03/20/807240320.db2.gz YEAFZGVWRNMVMQ-KESTWPANSA-N 1 3 345.531 2.396 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CN(C)CCC)C1 ZINC001130446550 811652812 /nfs/dbraw/zinc/65/28/12/811652812.db2.gz NZLNWUBBVHPIFE-INIZCTEOSA-N 1 3 347.507 2.123 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CN(C)CCC)C1 ZINC001130446550 811652814 /nfs/dbraw/zinc/65/28/14/811652814.db2.gz NZLNWUBBVHPIFE-INIZCTEOSA-N 1 3 347.507 2.123 20 30 EEEDHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438808982 1091420960 /nfs/dbraw/zinc/42/09/60/1091420960.db2.gz TUSMSDXCOMKKCU-OALUTQOASA-N 1 3 344.503 2.375 20 30 EEEDHO C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376725 1092116376 /nfs/dbraw/zinc/11/63/76/1092116376.db2.gz BXBSAXUFCHNPKL-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO CN(CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC001449387960 1094362567 /nfs/dbraw/zinc/36/25/67/1094362567.db2.gz QPGOLPURQVAORJ-UHFFFAOYSA-N 1 3 340.471 2.122 20 30 EEEDHO C=C(Cl)CN1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001446639564 1101153939 /nfs/dbraw/zinc/15/39/39/1101153939.db2.gz UXDFAKTWTFMKPS-OAHLLOKOSA-N 1 3 327.900 2.442 20 30 EEEDHO C=C(Cl)CN1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001446639564 1101153941 /nfs/dbraw/zinc/15/39/41/1101153941.db2.gz UXDFAKTWTFMKPS-OAHLLOKOSA-N 1 3 327.900 2.442 20 30 EEEDHO N#CC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000263202957 237508592 /nfs/dbraw/zinc/50/85/92/237508592.db2.gz XQEVQMGWCNWBJI-UHFFFAOYSA-N 1 3 325.460 2.249 20 30 EEEDHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cs1 ZINC000084185287 285280301 /nfs/dbraw/zinc/28/03/01/285280301.db2.gz GETGHKJTQZXWJN-HNNXBMFYSA-N 1 3 334.489 2.108 20 30 EEEDHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528433733 270021896 /nfs/dbraw/zinc/02/18/96/270021896.db2.gz SZQGQIOEHAFZOS-IBGZPJMESA-N 1 3 345.487 2.352 20 30 EEEDHO Cc1nccn1C[C@H](C)C[NH+]=C([O-])N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329276520 465286674 /nfs/dbraw/zinc/28/66/74/465286674.db2.gz LFQMVEMXWBSCDX-NVXWUHKLSA-N 1 3 333.480 2.302 20 30 EEEDHO CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](N2CCCCC2)C1 ZINC000086740988 462580206 /nfs/dbraw/zinc/58/02/06/462580206.db2.gz GXGIOQWYDQFNPN-LPHOPBHVSA-N 1 3 348.491 2.013 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171606995 463891782 /nfs/dbraw/zinc/89/17/82/463891782.db2.gz ZVRXGQIXDFEHAY-GOSISDBHSA-N 1 3 334.508 2.297 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C(C)C ZINC000291605862 464156753 /nfs/dbraw/zinc/15/67/53/464156753.db2.gz JCCMVKZLIXSBAV-ICSRJNTNSA-N 1 3 348.535 2.422 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C(C)C ZINC000291605862 464156758 /nfs/dbraw/zinc/15/67/58/464156758.db2.gz JCCMVKZLIXSBAV-ICSRJNTNSA-N 1 3 348.535 2.422 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)C(C)C ZINC000279909252 464164427 /nfs/dbraw/zinc/16/44/27/464164427.db2.gz LAFGXZCZNAASTO-HNNXBMFYSA-N 1 3 336.505 2.073 20 30 EEEDHO CC1CCN(C(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000267385200 464929803 /nfs/dbraw/zinc/92/98/03/464929803.db2.gz BMVAFADAQFTMIG-UHFFFAOYSA-N 1 3 344.503 2.190 20 30 EEEDHO O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329732062 465419566 /nfs/dbraw/zinc/41/95/66/465419566.db2.gz INYDWDBIDFVYJF-AWEZNQCLSA-N 1 3 331.464 2.131 20 30 EEEDHO [O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329732062 465419571 /nfs/dbraw/zinc/41/95/71/465419571.db2.gz INYDWDBIDFVYJF-AWEZNQCLSA-N 1 3 331.464 2.131 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417061810 466768377 /nfs/dbraw/zinc/76/83/77/466768377.db2.gz LNMBQLIUUBTAQM-PKOBYXMFSA-N 1 3 334.508 2.080 20 30 EEEDHO N#CCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424137188 466987448 /nfs/dbraw/zinc/98/74/48/466987448.db2.gz BUCNZBMGWJGSCJ-XVLXNVKGSA-N 1 3 340.471 2.319 20 30 EEEDHO N#CCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424137188 466987449 /nfs/dbraw/zinc/98/74/49/466987449.db2.gz BUCNZBMGWJGSCJ-XVLXNVKGSA-N 1 3 340.471 2.319 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488792768 468104912 /nfs/dbraw/zinc/10/49/12/468104912.db2.gz AQVZSFHPEYZSOO-INIZCTEOSA-N 1 3 334.508 2.153 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000488792768 468104915 /nfs/dbraw/zinc/10/49/15/468104915.db2.gz AQVZSFHPEYZSOO-INIZCTEOSA-N 1 3 334.508 2.153 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)NCCN2CC=C(C(C)(C)C)CC2)CC1 ZINC000490740622 468244173 /nfs/dbraw/zinc/24/41/73/468244173.db2.gz MATUOVRQXIXERE-UHFFFAOYSA-N 1 3 331.504 2.126 20 30 EEEDHO C[NH+]1CCC(N2CCC(Nc3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000563018672 469137929 /nfs/dbraw/zinc/13/79/29/469137929.db2.gz PKBUTWCQQHIWRU-UHFFFAOYSA-N 1 3 339.487 2.412 20 30 EEEDHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603111528 469267664 /nfs/dbraw/zinc/26/76/64/469267664.db2.gz RKBCTSSGCOQQSL-LJQANCHMSA-N 1 3 345.487 2.496 20 30 EEEDHO C=C(C)CN1CCC([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)CC1 ZINC000644548907 470979888 /nfs/dbraw/zinc/97/98/88/470979888.db2.gz DUHXYNXNEAMMBD-HXUWFJFHSA-N 1 3 331.504 2.109 20 30 EEEDHO C#CCCN1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000740736377 578106347 /nfs/dbraw/zinc/10/63/47/578106347.db2.gz RHEUFBIWPXCZMX-UHFFFAOYSA-N 1 3 339.483 2.500 20 30 EEEDHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740863 676400361 /nfs/dbraw/zinc/40/03/61/676400361.db2.gz WTLDJJQLFZVEMB-RTBURBONSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000891921004 677703257 /nfs/dbraw/zinc/70/32/57/677703257.db2.gz HEPRUKYEWGQPNG-MJGOQNOKSA-N 1 3 348.535 2.271 20 30 EEEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369137 679276105 /nfs/dbraw/zinc/27/61/05/679276105.db2.gz AMCQMWWSAQSJTH-MSOLQXFVSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369137 679276106 /nfs/dbraw/zinc/27/61/06/679276106.db2.gz AMCQMWWSAQSJTH-MSOLQXFVSA-N 1 3 331.504 2.102 20 30 EEEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]CC)CC1 ZINC000178912293 682553517 /nfs/dbraw/zinc/55/35/17/682553517.db2.gz BUWHOQRWYLEDLM-KSZLIROESA-N 1 3 346.519 2.150 20 30 EEEDHO c1coc(CCNC(=[NH+]C2CC2)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000262641110 687730161 /nfs/dbraw/zinc/73/01/61/687730161.db2.gz HILBRORCLWAIDH-QGZVFWFLSA-N 1 3 330.476 2.490 20 30 EEEDHO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](N2CCCCC2)C1 ZINC000262757943 688358033 /nfs/dbraw/zinc/35/80/33/688358033.db2.gz DZZYRMQRYACUMC-AOIWGVFYSA-N 1 3 336.524 2.063 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001168290483 1188253783 /nfs/dbraw/zinc/25/37/83/1188253783.db2.gz GBMSZYXHUVLOKG-GJZGRUSLSA-N 1 3 327.900 2.488 20 30 EEEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088812213 1188555874 /nfs/dbraw/zinc/55/58/74/1188555874.db2.gz RTBBIBSPQNCKJI-NZSAHSFTSA-N 1 3 331.504 2.386 20 30 EEEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088812213 1188555876 /nfs/dbraw/zinc/55/58/76/1188555876.db2.gz RTBBIBSPQNCKJI-NZSAHSFTSA-N 1 3 331.504 2.386 20 30 EEEDHO C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120449 1193687489 /nfs/dbraw/zinc/68/74/89/1193687489.db2.gz AXIQISRSWACGLT-ZIAGYGMSSA-N 1 3 334.489 2.041 20 30 EEEDHO C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120448 1193687668 /nfs/dbraw/zinc/68/76/68/1193687668.db2.gz AXIQISRSWACGLT-UONOGXRCSA-N 1 3 334.489 2.041 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001486219738 1193757679 /nfs/dbraw/zinc/75/76/79/1193757679.db2.gz VHTMJOVZLNQBNQ-GJZGRUSLSA-N 1 3 348.516 2.336 20 30 EEEDHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(C#N)n3)(C1)CCC2 ZINC001275605198 1205440446 /nfs/dbraw/zinc/44/04/46/1205440446.db2.gz GBZYORYCUOXGHU-MOPGFXCFSA-N 1 3 344.459 2.098 20 30 EEEDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786695 1205526515 /nfs/dbraw/zinc/52/65/15/1205526515.db2.gz XXQZEVYLAUAFOM-HDICACEKSA-N 1 3 337.471 2.250 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC1CC1 ZINC000304757669 1216103305 /nfs/dbraw/zinc/10/33/05/1216103305.db2.gz PBQFZTMZARATJM-QGZVFWFLSA-N 1 3 330.476 2.364 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CCC[C@@H]1C ZINC000960305139 1216483586 /nfs/dbraw/zinc/48/35/86/1216483586.db2.gz SUXRRRZTHDEFNR-QKYXUNIQSA-N 1 3 327.472 2.419 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC000960873434 1216955562 /nfs/dbraw/zinc/95/55/62/1216955562.db2.gz FTMHTEQNJKKUNS-MOPGFXCFSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC000960873434 1216955564 /nfs/dbraw/zinc/95/55/64/1216955564.db2.gz FTMHTEQNJKKUNS-MOPGFXCFSA-N 1 3 342.487 2.321 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961373629 1217162880 /nfs/dbraw/zinc/16/28/80/1217162880.db2.gz IGPAJGARYSCTIF-WOJBJXKFSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961373629 1217162882 /nfs/dbraw/zinc/16/28/82/1217162882.db2.gz IGPAJGARYSCTIF-WOJBJXKFSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 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330.476 2.276 20 30 EEEDHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)C(C)C ZINC001135477654 783867293 /nfs/dbraw/zinc/86/72/93/783867293.db2.gz MKJKNHWPENVESG-GOSISDBHSA-N 1 3 348.466 2.270 20 30 EEEDHO C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238813 784160347 /nfs/dbraw/zinc/16/03/47/784160347.db2.gz HGUNFTMZLOBZTJ-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238813 784160354 /nfs/dbraw/zinc/16/03/54/784160354.db2.gz HGUNFTMZLOBZTJ-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC2 ZINC001035856759 785296826 /nfs/dbraw/zinc/29/68/26/785296826.db2.gz BXXOHTZOBYDGON-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](F)CN(CC)CC)CCC[C@@H]12 ZINC001107424474 787198823 /nfs/dbraw/zinc/19/88/23/787198823.db2.gz PWOMSFQJGYXKHN-YQVWRLOYSA-N 1 3 337.483 2.050 20 30 EEEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)CN(CC)CC)CCC[C@@H]12 ZINC001107424474 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2.500 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741786 796945141 /nfs/dbraw/zinc/94/51/41/796945141.db2.gz KUYJGKZDTUANAX-HOTGVXAUSA-N 1 3 339.911 2.488 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741788 796945477 /nfs/dbraw/zinc/94/54/77/796945477.db2.gz KUYJGKZDTUANAX-JKSUJKDBSA-N 1 3 339.911 2.488 20 30 EEEDHO C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203255804 797514766 /nfs/dbraw/zinc/51/47/66/797514766.db2.gz FHISRFZIHGQRQJ-IRXDYDNUSA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001176926211 798631100 /nfs/dbraw/zinc/63/11/00/798631100.db2.gz JLNMVUAUVHVAIU-UHFFFAOYSA-N 1 3 347.890 2.281 20 30 EEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177416254 798934298 /nfs/dbraw/zinc/93/42/98/798934298.db2.gz XNEJQWAAASBJOE-SFHVURJKSA-N 1 3 333.520 2.350 20 30 EEEDHO C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC001180372885 800404454 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C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128331223 462629685 /nfs/dbraw/zinc/62/96/85/462629685.db2.gz HHHSQLKHHLXCSJ-GOSISDBHSA-N 1 3 329.488 2.377 20 30 EEEDHO C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262487087 464030532 /nfs/dbraw/zinc/03/05/32/464030532.db2.gz STSHCSDDJYRGMB-DLBZAZTESA-N 1 3 347.507 2.018 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000270248894 464232706 /nfs/dbraw/zinc/23/27/06/464232706.db2.gz FBTVPWNLDRNNMB-UHFFFAOYSA-N 1 3 340.471 2.041 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCOCCc1ccccc1 ZINC000264063487 464278120 /nfs/dbraw/zinc/27/81/20/464278120.db2.gz AGWMPJDQLHOVMZ-IBGZPJMESA-N 1 3 346.519 2.415 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1nc2c(cccc2C)o1 ZINC000267464640 464932959 /nfs/dbraw/zinc/93/29/59/464932959.db2.gz WCGZMLVASSDVOU-AWEZNQCLSA-N 1 3 329.448 2.067 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000298657913 465462896 /nfs/dbraw/zinc/46/28/96/465462896.db2.gz 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C=CCCN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960694 1285444204 /nfs/dbraw/zinc/44/42/04/1285444204.db2.gz LGXUDEPZCBJUQO-SJLPKXTDSA-N 1 3 345.487 2.360 20 30 EEEDHO C=CCCN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960694 1285444208 /nfs/dbraw/zinc/44/42/08/1285444208.db2.gz LGXUDEPZCBJUQO-SJLPKXTDSA-N 1 3 345.487 2.360 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001211267508 1295786812 /nfs/dbraw/zinc/78/68/12/1295786812.db2.gz BQRXVXNAGBUKFP-KRWDZBQOSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001211307260 1295811242 /nfs/dbraw/zinc/81/12/42/1295811242.db2.gz QBKCLTJLFTZVOG-NLWGTHIKSA-N 1 3 347.547 2.450 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]2C)CC1 ZINC001211307260 1295811254 /nfs/dbraw/zinc/81/12/54/1295811254.db2.gz QBKCLTJLFTZVOG-NLWGTHIKSA-N 1 3 347.547 2.450 20 30 EEEDHO C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292308 1300753510 /nfs/dbraw/zinc/75/35/10/1300753510.db2.gz IPNCCEAXLLUJHW-HUUCEWRRSA-N 1 3 348.516 2.146 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372904 1300952100 /nfs/dbraw/zinc/95/21/00/1300952100.db2.gz PYGNAMJREOZVQS-GPMSIDNRSA-N 1 3 339.499 2.459 20 30 EEEDHO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372904 1300952102 /nfs/dbraw/zinc/95/21/02/1300952102.db2.gz PYGNAMJREOZVQS-GPMSIDNRSA-N 1 3 339.499 2.459 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753724 1303298222 /nfs/dbraw/zinc/29/82/22/1303298222.db2.gz XIIYQAUQDMLSGO-QZTJIDSGSA-N 1 3 341.499 2.459 20 30 EEEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2CN(C)C)C1 ZINC001103753724 1303298228 /nfs/dbraw/zinc/29/82/28/1303298228.db2.gz XIIYQAUQDMLSGO-QZTJIDSGSA-N 1 3 341.499 2.459 20 30 EEEDHO C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202930379 1314738784 /nfs/dbraw/zinc/73/87/84/1314738784.db2.gz ULJWJMBAELIHMN-IAGOWNOFSA-N 1 3 331.504 2.291 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)C12CCC2 ZINC001203026729 1314873637 /nfs/dbraw/zinc/87/36/37/1314873637.db2.gz ARGRLXIODGNGEW-UONOGXRCSA-N 1 3 325.884 2.240 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001151352299 1316511074 /nfs/dbraw/zinc/51/10/74/1316511074.db2.gz XPRIIXRQSPTKNY-MSOLQXFVSA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001151352299 1316511077 /nfs/dbraw/zinc/51/10/77/1316511077.db2.gz XPRIIXRQSPTKNY-MSOLQXFVSA-N 1 3 349.519 2.177 20 30 EEEDHO C[NH+]1CCC(CN2CCN(c3cc(Cl)cc(C#N)n3)CC2)CC1 ZINC001157837993 1318896959 /nfs/dbraw/zinc/89/69/59/1318896959.db2.gz MTFAWAFMRWAJAQ-UHFFFAOYSA-N 1 3 333.867 2.070 20 30 EEEDHO CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001158206077 1319076542 /nfs/dbraw/zinc/07/65/42/1319076542.db2.gz ZWVZXDINGCKWOV-UONOGXRCSA-N 1 3 345.447 2.004 20 30 EEEDHO C=CCN(CC=C)CCN1CCN(C2CC[NH+](CC(C)C)CC2)CC1 ZINC001258018699 1319132873 /nfs/dbraw/zinc/13/28/73/1319132873.db2.gz QXCMDGOAVFRQPL-UHFFFAOYSA-N 1 3 348.579 2.398 20 30 EEEDHO C#CCNCCN(CCc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001163001752 1321010399 /nfs/dbraw/zinc/01/03/99/1321010399.db2.gz NORGXCRULDDGMS-UHFFFAOYSA-N 1 3 341.499 2.157 20 30 EEEDHO C[C@H]1C[C@@H](C(=O)NCCCNCc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC001164574509 1321422891 /nfs/dbraw/zinc/42/28/91/1321422891.db2.gz OLFURIGJCSCQBG-HOCLYGCPSA-N 1 3 346.450 2.024 20 30 EEEDHO C[C@H]1C[C@@H](C(=O)NCCCNCc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001164574509 1321422897 /nfs/dbraw/zinc/42/28/97/1321422897.db2.gz OLFURIGJCSCQBG-HOCLYGCPSA-N 1 3 346.450 2.024 20 30 EEEDHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001262562443 1322324003 /nfs/dbraw/zinc/32/40/03/1322324003.db2.gz AVPPLKLVPMFBCO-JTDSTZFVSA-N 1 3 331.460 2.071 20 30 EEEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC001263109816 1322434669 /nfs/dbraw/zinc/43/46/69/1322434669.db2.gz GXABFFBNICQGBV-JQHSSLGASA-N 1 3 333.451 2.319 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452757 1323142358 /nfs/dbraw/zinc/14/23/58/1323142358.db2.gz PUHLYYIUXICHAP-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452757 1323142363 /nfs/dbraw/zinc/14/23/63/1323142363.db2.gz PUHLYYIUXICHAP-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1)N(C)C ZINC001369580115 1374579379 /nfs/dbraw/zinc/57/93/79/1374579379.db2.gz VQVAXXRCVIAUAS-HTWSVDAQSA-N 1 3 346.450 2.117 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394041 1379201046 /nfs/dbraw/zinc/20/10/46/1379201046.db2.gz YCRUYBHRPCEGFH-LPHOPBHVSA-N 1 3 342.487 2.369 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001377394041 1379201050 /nfs/dbraw/zinc/20/10/50/1379201050.db2.gz YCRUYBHRPCEGFH-LPHOPBHVSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001400806264 1396600587 /nfs/dbraw/zinc/60/05/87/1396600587.db2.gz ADVQRMXKCQODGZ-KRWDZBQOSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@@H]21 ZINC001755708359 1407761668 /nfs/dbraw/zinc/76/16/68/1407761668.db2.gz LWKRFMXIDOVWID-CEXWTWQISA-N 1 3 333.520 2.348 20 30 EEEDHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167628244 760773840 /nfs/dbraw/zinc/77/38/40/760773840.db2.gz XZRMHUGGTWRUQS-IBGZPJMESA-N 1 3 342.487 2.417 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCC)[C@H]3C2(C)C)CC1 ZINC001087317078 761613030 /nfs/dbraw/zinc/61/30/30/761613030.db2.gz CFLQZJZWHDWJHZ-IPMKNSEASA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCC)[C@H]3C2(C)C)CC1 ZINC001087317078 761613032 /nfs/dbraw/zinc/61/30/32/761613032.db2.gz CFLQZJZWHDWJHZ-IPMKNSEASA-N 1 3 345.531 2.347 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O2 ZINC001098606778 765221228 /nfs/dbraw/zinc/22/12/28/765221228.db2.gz VKXWZIQJBHHPSY-MSOLQXFVSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098606778 765221236 /nfs/dbraw/zinc/22/12/36/765221236.db2.gz VKXWZIQJBHHPSY-MSOLQXFVSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494573 769711838 /nfs/dbraw/zinc/71/18/38/769711838.db2.gz WNVMQZJTMKOEDK-QRVBRYPASA-N 1 3 349.519 2.177 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564850 770421848 /nfs/dbraw/zinc/42/18/48/770421848.db2.gz JXATYOHLDRHLNE-SFHVURJKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564850 770421855 /nfs/dbraw/zinc/42/18/55/770421855.db2.gz JXATYOHLDRHLNE-SFHVURJKSA-N 1 3 331.504 2.124 20 30 EEEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088130128 782951222 /nfs/dbraw/zinc/95/12/22/782951222.db2.gz XKEOLYVIGLKQQO-CEXWTWQISA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001088130128 782951225 /nfs/dbraw/zinc/95/12/25/782951225.db2.gz XKEOLYVIGLKQQO-CEXWTWQISA-N 1 3 331.504 2.053 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001089868738 783004678 /nfs/dbraw/zinc/00/46/78/783004678.db2.gz FOWZJKZOZAVJJB-DKIMLUQUSA-N 1 3 328.460 2.087 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001089868738 783004684 /nfs/dbraw/zinc/00/46/84/783004684.db2.gz FOWZJKZOZAVJJB-DKIMLUQUSA-N 1 3 328.460 2.087 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@]2(C)C1 ZINC000982292762 779578252 /nfs/dbraw/zinc/57/82/52/779578252.db2.gz WWNPPOSFRVNZID-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC000982292762 779578256 /nfs/dbraw/zinc/57/82/56/779578256.db2.gz WWNPPOSFRVNZID-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997874862 791321845 /nfs/dbraw/zinc/32/18/45/791321845.db2.gz SRNXQADKSQDVKL-INIZCTEOSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997874862 791321850 /nfs/dbraw/zinc/32/18/50/791321850.db2.gz SRNXQADKSQDVKL-INIZCTEOSA-N 1 3 327.472 2.212 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001146592808 791361555 /nfs/dbraw/zinc/36/15/55/791361555.db2.gz LMKAAPXJRZFBCD-HOTGVXAUSA-N 1 3 330.476 2.271 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717580 794611966 /nfs/dbraw/zinc/61/19/66/794611966.db2.gz YBTKKWJKGUKPSB-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717580 794611971 /nfs/dbraw/zinc/61/19/71/794611971.db2.gz YBTKKWJKGUKPSB-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO N#Cc1cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cs1 ZINC000921770014 795861801 /nfs/dbraw/zinc/86/18/01/795861801.db2.gz AMDWMIKYKVCXIO-SFHVURJKSA-N 1 3 327.453 2.346 20 30 EEEDHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976916 797178143 /nfs/dbraw/zinc/17/81/43/797178143.db2.gz XBNMAXGLQDFRDA-XHSDSOJGSA-N 1 3 336.480 2.352 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295885 798051875 /nfs/dbraw/zinc/05/18/75/798051875.db2.gz KEQLUXXZDNEKHB-KRWDZBQOSA-N 1 3 341.540 2.432 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC001176926575 798631076 /nfs/dbraw/zinc/63/10/76/798631076.db2.gz PQWLAHLXMCAOOT-MRXNPFEDSA-N 1 3 345.462 2.328 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176986285 798675248 /nfs/dbraw/zinc/67/52/48/798675248.db2.gz JNZVBBWJLXLLNW-GOSISDBHSA-N 1 3 346.450 2.168 20 30 EEEDHO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623349 802287326 /nfs/dbraw/zinc/28/73/26/802287326.db2.gz IRODZBSAYPBFRD-IYBDPMFKSA-N 1 3 339.911 2.394 20 30 EEEDHO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623349 802287332 /nfs/dbraw/zinc/28/73/32/802287332.db2.gz IRODZBSAYPBFRD-IYBDPMFKSA-N 1 3 339.911 2.394 20 30 EEEDHO C=CCC[C@H](C)N1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049235 807954088 /nfs/dbraw/zinc/95/40/88/807954088.db2.gz IIYSTSYPLLABPY-KRWDZBQOSA-N 1 3 330.476 2.407 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001440131796 1093198144 /nfs/dbraw/zinc/19/81/44/1093198144.db2.gz ZMOBQCIPUCJYQW-KBPBESRZSA-N 1 3 346.313 2.063 20 30 EEEDHO CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001505443151 1113977335 /nfs/dbraw/zinc/97/73/35/1113977335.db2.gz FGYMHCAMIWBMFJ-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)CN1CCC(C[NH+](C)C)CC1 ZINC000341182864 465037526 /nfs/dbraw/zinc/03/75/26/465037526.db2.gz GZWOKWYAPJXDCU-IBGZPJMESA-N 1 3 332.488 2.428 20 30 EEEDHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280277751 464197208 /nfs/dbraw/zinc/19/72/08/464197208.db2.gz FSENPWAGQPOVGT-RTBURBONSA-N 1 3 338.455 2.335 20 30 EEEDHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280277751 464197212 /nfs/dbraw/zinc/19/72/12/464197212.db2.gz FSENPWAGQPOVGT-RTBURBONSA-N 1 3 338.455 2.335 20 30 EEEDHO CCCCCCNC(=[NH2+])NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272787448 464689077 /nfs/dbraw/zinc/68/90/77/464689077.db2.gz BYQWYJHKAMPGRD-SFHVURJKSA-N 1 3 332.492 2.238 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1OC(F)F ZINC000267717104 464939215 /nfs/dbraw/zinc/93/92/15/464939215.db2.gz UMNRMLYUWVWBFJ-LLVKDONJSA-N 1 3 344.381 2.316 20 30 EEEDHO C[C@@H]1CN(Cc2ccc(CC#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000343748070 465548806 /nfs/dbraw/zinc/54/88/06/465548806.db2.gz ZJCHXAWCJIEZCF-QGZVFWFLSA-N 1 3 326.488 2.353 20 30 EEEDHO CC(C#N)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000361112044 465772467 /nfs/dbraw/zinc/77/24/67/465772467.db2.gz WRDWYDTYALKUAX-INIZCTEOSA-N 1 3 329.444 2.334 20 30 EEEDHO N#C[C@@H]1CC[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693899 468170109 /nfs/dbraw/zinc/17/01/09/468170109.db2.gz MLVSAZSSEVMPSL-AYOQOUSVSA-N 1 3 340.471 2.166 20 30 EEEDHO N#C[C@@H]1CC[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693899 468170113 /nfs/dbraw/zinc/17/01/13/468170113.db2.gz MLVSAZSSEVMPSL-AYOQOUSVSA-N 1 3 340.471 2.166 20 30 EEEDHO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1C#N)CN1CCCC1 ZINC000600735859 468642742 /nfs/dbraw/zinc/64/27/42/468642742.db2.gz WCMIIEPPAMQGRQ-QGZVFWFLSA-N 1 3 331.460 2.010 20 30 EEEDHO COc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315546 468936724 /nfs/dbraw/zinc/93/67/24/468936724.db2.gz LEVNTQUOGCCKQO-YQVWRLOYSA-N 1 3 329.444 2.285 20 30 EEEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326653 675790139 /nfs/dbraw/zinc/79/01/39/675790139.db2.gz UVTVVHBTTGCPOD-LPHOPBHVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326653 675790141 /nfs/dbraw/zinc/79/01/41/675790141.db2.gz UVTVVHBTTGCPOD-LPHOPBHVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039249892 676266447 /nfs/dbraw/zinc/26/64/47/676266447.db2.gz FNYIMBURIWYHRI-OALUTQOASA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761931 679569061 /nfs/dbraw/zinc/56/90/61/679569061.db2.gz MXKHSFGCMYBNKR-GOSISDBHSA-N 1 3 327.472 2.213 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761931 679569062 /nfs/dbraw/zinc/56/90/62/679569062.db2.gz MXKHSFGCMYBNKR-GOSISDBHSA-N 1 3 327.472 2.213 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@]2(C)C1 ZINC000982726235 682111792 /nfs/dbraw/zinc/11/17/92/682111792.db2.gz SVWMZHPRXUFFRJ-JYAXBFRTSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001029004524 682654035 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337.483 2.193 20 30 EEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)CCC1 ZINC001105561707 1188178056 /nfs/dbraw/zinc/17/80/56/1188178056.db2.gz PRIYBRVJMUAHOP-ROUUACIJSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105564071 1188180560 /nfs/dbraw/zinc/18/05/60/1188180560.db2.gz VWAVJLPPNBNDPW-MOPGFXCFSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC=C)C2)CC1 ZINC001132517648 1199800572 /nfs/dbraw/zinc/80/05/72/1199800572.db2.gz GFAOSCIKYVGTMP-MJGOQNOKSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC=C)C2)CC1 ZINC001132517648 1199800579 /nfs/dbraw/zinc/80/05/79/1199800579.db2.gz GFAOSCIKYVGTMP-MJGOQNOKSA-N 1 3 331.504 2.267 20 30 EEEDHO C=CCOCCN1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525750 1199821501 /nfs/dbraw/zinc/82/15/01/1199821501.db2.gz UZRAASFHHGXNGZ-ZWKOTPCHSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C 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3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717581 794611602 /nfs/dbraw/zinc/61/16/02/794611602.db2.gz YBTKKWJKGUKPSB-ROUUACIJSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902957 796441653 /nfs/dbraw/zinc/44/16/53/796441653.db2.gz SOVLDZGIEANUED-RBUKOAKNSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902957 796441661 /nfs/dbraw/zinc/44/16/61/796441661.db2.gz SOVLDZGIEANUED-RBUKOAKNSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001171873937 796761639 /nfs/dbraw/zinc/76/16/39/796761639.db2.gz VUCXGXCQFRBOKI-FFEBTUMSSA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543149 798004689 /nfs/dbraw/zinc/00/46/89/798004689.db2.gz HNGGYLSEWAQOQL-AZUAARDMSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188928 798204453 /nfs/dbraw/zinc/20/44/53/798204453.db2.gz WNVMQZJTMKOEDK-QYZOEREBSA-N 1 3 349.519 2.177 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCCN1CC ZINC001177489304 798979489 /nfs/dbraw/zinc/97/94/89/798979489.db2.gz ZJAZTTDQNZZNDY-IBGZPJMESA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1C ZINC001181640823 800846675 /nfs/dbraw/zinc/84/66/75/800846675.db2.gz GCRXZHZSEFYONY-UKPHBRMFSA-N 1 3 347.906 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001004208120 801288057 /nfs/dbraw/zinc/28/80/57/801288057.db2.gz LULIVMZOXLWLCG-UHFFFAOYSA-N 1 3 343.515 2.413 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C ZINC001184411608 802024124 /nfs/dbraw/zinc/02/41/24/802024124.db2.gz FLJAJNCTKFVDCB-ZWKOTPCHSA-N 1 3 333.520 2.348 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001496371130 1100964710 /nfs/dbraw/zinc/96/47/10/1100964710.db2.gz YINGSIWYEFOFRL-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO CCOC(=O)C1([C@@H](C)NCc2ccc(C#N)c(F)c2)CC[NH2+]CC1 ZINC000423160070 240389803 /nfs/dbraw/zinc/38/98/03/240389803.db2.gz GTAZWIZSSNNMIR-CYBMUJFWSA-N 1 3 333.407 2.108 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](N[C@@H](C)CC)c2ccco2)CC1 ZINC000491474446 533148446 /nfs/dbraw/zinc/14/84/46/533148446.db2.gz MUHMVBQPDRRUQD-DOTOQJQBSA-N 1 3 331.460 2.170 20 30 EEEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160673082 463361038 /nfs/dbraw/zinc/36/10/38/463361038.db2.gz PBEGSGPQNLCEBE-UHFFFAOYSA-N 1 3 348.369 2.280 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555457 463615469 /nfs/dbraw/zinc/61/54/69/463615469.db2.gz YYCBZGJMHCQJJL-QZTJIDSGSA-N 1 3 336.524 2.326 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555457 463615476 /nfs/dbraw/zinc/61/54/76/463615476.db2.gz YYCBZGJMHCQJJL-QZTJIDSGSA-N 1 3 336.524 2.326 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555454 463616118 /nfs/dbraw/zinc/61/61/18/463616118.db2.gz YYCBZGJMHCQJJL-ROUUACIJSA-N 1 3 336.524 2.326 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555454 463616120 /nfs/dbraw/zinc/61/61/20/463616120.db2.gz YYCBZGJMHCQJJL-ROUUACIJSA-N 1 3 336.524 2.326 20 30 EEEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264119755 464285601 /nfs/dbraw/zinc/28/56/01/464285601.db2.gz UPVZAEBRXFXCTH-HNNXBMFYSA-N 1 3 331.508 2.304 20 30 EEEDHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000281456267 464461190 /nfs/dbraw/zinc/46/11/90/464461190.db2.gz FYNASECKHITYRY-GUDVDZBRSA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000281456267 464461195 /nfs/dbraw/zinc/46/11/95/464461195.db2.gz FYNASECKHITYRY-GUDVDZBRSA-N 1 3 336.439 2.183 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000267476427 464934811 /nfs/dbraw/zinc/93/48/11/464934811.db2.gz ZJDLKTHANLVLPN-HNNXBMFYSA-N 1 3 331.439 2.238 20 30 EEEDHO [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329731023 465419702 /nfs/dbraw/zinc/41/97/02/465419702.db2.gz IBWKDIWNSAYVDI-CABCVRRESA-N 1 3 331.464 2.131 20 30 EEEDHO C#CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370707526 466973559 /nfs/dbraw/zinc/97/35/59/466973559.db2.gz FEILNLVVKOPCBP-RXVVDRJESA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000370707526 466973563 /nfs/dbraw/zinc/97/35/63/466973563.db2.gz FEILNLVVKOPCBP-RXVVDRJESA-N 1 3 341.499 2.156 20 30 EEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000530539741 467992226 /nfs/dbraw/zinc/99/22/26/467992226.db2.gz YZEXPJIWBQVSEI-GOSISDBHSA-N 1 3 330.476 2.026 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000490594217 468223322 /nfs/dbraw/zinc/22/33/22/468223322.db2.gz NMLQPSTUHBZNHF-FXAWDEMLSA-N 1 3 339.483 2.283 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000490594217 468223326 /nfs/dbraw/zinc/22/33/26/468223326.db2.gz NMLQPSTUHBZNHF-FXAWDEMLSA-N 1 3 339.483 2.283 20 30 EEEDHO C[C@H]1CN(CCc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000595409067 468841788 /nfs/dbraw/zinc/84/17/88/468841788.db2.gz KCEGSDHEPBFABZ-PXNSSMCTSA-N 1 3 326.488 2.059 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000602607562 469382499 /nfs/dbraw/zinc/38/24/99/469382499.db2.gz YTIKERRSGOQVGZ-MRXNPFEDSA-N 1 3 346.475 2.211 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761932 679569000 /nfs/dbraw/zinc/56/90/00/679569000.db2.gz MXKHSFGCMYBNKR-SFHVURJKSA-N 1 3 327.472 2.213 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761932 679569004 /nfs/dbraw/zinc/56/90/04/679569004.db2.gz MXKHSFGCMYBNKR-SFHVURJKSA-N 1 3 327.472 2.213 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001025240065 682296068 /nfs/dbraw/zinc/29/60/68/682296068.db2.gz KWQUUIVGMMQSMP-RBUKOAKNSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001025240065 682296071 /nfs/dbraw/zinc/29/60/71/682296071.db2.gz KWQUUIVGMMQSMP-RBUKOAKNSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245964 682314116 /nfs/dbraw/zinc/31/41/16/682314116.db2.gz AUJSIEIPTDVVBF-OALUTQOASA-N 1 3 343.515 2.484 20 30 EEEDHO CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105438247 1187118070 /nfs/dbraw/zinc/11/80/70/1187118070.db2.gz BIJBJQZRUZFTNI-IRFCIJBXSA-N 1 3 341.499 2.156 20 30 EEEDHO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563919 1188179690 /nfs/dbraw/zinc/17/96/90/1188179690.db2.gz UCKNCYXCHYWJJP-MOPGFXCFSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105564073 1188180390 /nfs/dbraw/zinc/18/03/90/1188180390.db2.gz VWAVJLPPNBNDPW-OALUTQOASA-N 1 3 345.531 2.493 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244299 1188805890 /nfs/dbraw/zinc/80/58/90/1188805890.db2.gz NWJSZVTWBWJNTR-FCEWJHQRSA-N 1 3 337.483 2.308 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244299 1188805893 /nfs/dbraw/zinc/80/58/93/1188805893.db2.gz NWJSZVTWBWJNTR-FCEWJHQRSA-N 1 3 337.483 2.308 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001034956505 1196916962 /nfs/dbraw/zinc/91/69/62/1196916962.db2.gz ABOIMJQJKYMKOY-CQSZACIVSA-N 1 3 346.500 2.185 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000947568095 1208624267 /nfs/dbraw/zinc/62/42/67/1208624267.db2.gz JDEBINRDLFFPJL-IEBWSBKVSA-N 1 3 341.499 2.397 20 30 EEEDHO CCc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC000303890939 1213921448 /nfs/dbraw/zinc/92/14/48/1213921448.db2.gz QIFAPEFIGBZUFS-MRXNPFEDSA-N 1 3 331.508 2.249 20 30 EEEDHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC000960136870 1216378616 /nfs/dbraw/zinc/37/86/16/1216378616.db2.gz NYEQGRGQHVHDMO-OALUTQOASA-N 1 3 342.487 2.369 20 30 EEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000960297049 1216479225 /nfs/dbraw/zinc/47/92/25/1216479225.db2.gz SSLQMARENBMTMT-QZTJIDSGSA-N 1 3 327.472 2.419 20 30 EEEDHO C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001016625926 1226700703 /nfs/dbraw/zinc/70/07/03/1226700703.db2.gz QAEHULCPEDAWRR-HKUYNNGSSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001016625926 1226700708 /nfs/dbraw/zinc/70/07/08/1226700708.db2.gz QAEHULCPEDAWRR-HKUYNNGSSA-N 1 3 343.515 2.245 20 30 EEEDHO CC#CCN1CCC2(C[C@H]2NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001016916856 1226969068 /nfs/dbraw/zinc/96/90/68/1226969068.db2.gz XFQCZOZFPYBUJG-LJQANCHMSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182213 1230409161 /nfs/dbraw/zinc/40/91/61/1230409161.db2.gz LCSHGQDUMBINOU-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182213 1230409163 /nfs/dbraw/zinc/40/91/63/1230409163.db2.gz LCSHGQDUMBINOU-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182917 1230410060 /nfs/dbraw/zinc/41/00/60/1230410060.db2.gz UMZFZDXWTACCCJ-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182917 1230410062 /nfs/dbraw/zinc/41/00/62/1230410062.db2.gz UMZFZDXWTACCCJ-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001040545075 1231285728 /nfs/dbraw/zinc/28/57/28/1231285728.db2.gz MQJOZDWEEWOQRV-NRFANRHFSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C2)C1 ZINC001041591137 1231613267 /nfs/dbraw/zinc/61/32/67/1231613267.db2.gz WHUQFIIFBYBJLD-CTNGQTDRSA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)C1 ZINC001041591137 1231613269 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346.450 2.118 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001752920922 1406548689 /nfs/dbraw/zinc/54/86/89/1406548689.db2.gz ISKMPGSWMJBFEC-OAHLLOKOSA-N 1 3 347.890 2.280 20 30 EEEDHO C[NH+](C)CCCC(=O)NCC1(NCc2ccc(F)c(C#N)c2)CCC1 ZINC001424198343 1400964520 /nfs/dbraw/zinc/96/45/20/1400964520.db2.gz QWDJVLGSDCZCMB-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001755248813 1407260328 /nfs/dbraw/zinc/26/03/28/1407260328.db2.gz KCPITQWZVOCLRN-HOTGVXAUSA-N 1 3 333.451 2.002 20 30 EEEDHO CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577627629 1403665623 /nfs/dbraw/zinc/66/56/23/1403665623.db2.gz JYVIIWBWIRDSRL-MSOLQXFVSA-N 1 3 328.460 2.131 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100675844 1410694672 /nfs/dbraw/zinc/69/46/72/1410694672.db2.gz ADRQBXJJVQXJBP-QHGAOEGBSA-N 1 3 339.483 2.007 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001100675843 1410694868 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C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089819379 776799431 /nfs/dbraw/zinc/79/94/31/776799431.db2.gz GOUBWXSPBGUXCC-MHORFTMASA-N 1 3 331.504 2.216 20 30 EEEDHO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089819379 776799441 /nfs/dbraw/zinc/79/94/41/776799441.db2.gz GOUBWXSPBGUXCC-MHORFTMASA-N 1 3 331.504 2.216 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541009 777624872 /nfs/dbraw/zinc/62/48/72/777624872.db2.gz IKGUBOUIABTHDA-RTBURBONSA-N 1 3 331.504 2.149 20 30 EEEDHO C=CCN1CCCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC000982071610 779056247 /nfs/dbraw/zinc/05/62/47/779056247.db2.gz MSEZNWZNQMAMTQ-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729636 780114521 /nfs/dbraw/zinc/11/45/21/780114521.db2.gz FSPJLUZAIFBCEX-RBUKOAKNSA-N 1 3 329.488 2.487 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980179 784906283 /nfs/dbraw/zinc/90/62/83/784906283.db2.gz MDTUYQXFSJTXPV-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980920 784907743 /nfs/dbraw/zinc/90/77/43/784907743.db2.gz UXGPNSBFDXHKSR-HUUCEWRRSA-N 1 3 348.466 2.412 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720596 785015629 /nfs/dbraw/zinc/01/56/29/785015629.db2.gz LBKJKGCSAVFJKA-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720596 785015634 /nfs/dbraw/zinc/01/56/34/785015634.db2.gz LBKJKGCSAVFJKA-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035812682 785212957 /nfs/dbraw/zinc/21/29/57/785212957.db2.gz QSSBJUJFNWDDBV-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)C1CC[NH+](CC3CC3)CC1)CC2 ZINC001035836044 785257445 /nfs/dbraw/zinc/25/74/45/785257445.db2.gz TWIKVQGSSSFUOM-UHFFFAOYSA-N 1 3 343.515 2.056 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299808 786234316 /nfs/dbraw/zinc/23/43/16/786234316.db2.gz DOFVMHKSOGAJJZ-RDTXWAMCSA-N 1 3 325.472 2.212 20 30 EEEDHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)N(C)C ZINC000996315361 786254559 /nfs/dbraw/zinc/25/45/59/786254559.db2.gz NSQWJBICTQLRGK-ZWKOTPCHSA-N 1 3 342.487 2.225 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000911745498 787682395 /nfs/dbraw/zinc/68/23/95/787682395.db2.gz PTIRVUPFNXSBNV-INIZCTEOSA-N 1 3 345.443 2.218 20 30 EEEDHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997005206 788433365 /nfs/dbraw/zinc/43/33/65/788433365.db2.gz HQADTNRUUDXYOL-CQSZACIVSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610146 791373033 /nfs/dbraw/zinc/37/30/33/791373033.db2.gz HWPOWCISFURLDN-IRXDYDNUSA-N 1 3 333.520 2.395 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@H]12 ZINC000992316031 793642017 /nfs/dbraw/zinc/64/20/17/793642017.db2.gz LSCCSBCTEABLPB-PZJWPPBQSA-N 1 3 339.483 2.498 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717579 794611525 /nfs/dbraw/zinc/61/15/25/794611525.db2.gz YBTKKWJKGUKPSB-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717579 794611529 /nfs/dbraw/zinc/61/15/29/794611529.db2.gz YBTKKWJKGUKPSB-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093380173 795118348 /nfs/dbraw/zinc/11/83/48/795118348.db2.gz SSMBMGCHZQYWLC-LJQANCHMSA-N 1 3 340.471 2.069 20 30 EEEDHO C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093380173 795118354 /nfs/dbraw/zinc/11/83/54/795118354.db2.gz SSMBMGCHZQYWLC-LJQANCHMSA-N 1 3 340.471 2.069 20 30 EEEDHO C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001150070472 797056918 /nfs/dbraw/zinc/05/69/18/797056918.db2.gz KPCHOHDTPRLDDN-QGZVFWFLSA-N 1 3 337.508 2.034 20 30 EEEDHO C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001150070472 797056924 /nfs/dbraw/zinc/05/69/24/797056924.db2.gz KPCHOHDTPRLDDN-QGZVFWFLSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC(C)(C)C1 ZINC001089405945 798415378 /nfs/dbraw/zinc/41/53/78/798415378.db2.gz FLFOFSXTZPLFBF-ROUUACIJSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089405945 798415382 /nfs/dbraw/zinc/41/53/82/798415382.db2.gz FLFOFSXTZPLFBF-ROUUACIJSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001176926370 798630895 /nfs/dbraw/zinc/63/08/95/798630895.db2.gz KCNQNUHDVWWPSS-UHFFFAOYSA-N 1 3 345.462 2.097 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176986404 798675583 /nfs/dbraw/zinc/67/55/83/798675583.db2.gz NBYDTTDNUXGEKX-SFHVURJKSA-N 1 3 328.460 2.029 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997527 798686734 /nfs/dbraw/zinc/68/67/34/798686734.db2.gz PWRUVJXDBYVTPP-AWEZNQCLSA-N 1 3 346.313 2.111 20 30 EEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177339500 798873351 /nfs/dbraw/zinc/87/33/51/798873351.db2.gz IQJRBYSGRKCKJF-LJQANCHMSA-N 1 3 333.520 2.348 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253419 802615271 /nfs/dbraw/zinc/61/52/71/802615271.db2.gz GAQABJVSTLVGHZ-LVQVYYBASA-N 1 3 327.900 2.344 20 30 EEEDHO CN(C)/C=N/c1ccc(NCc2ncn3c2C[NH2+]CCC3)cc1C#N ZINC001169243744 803666959 /nfs/dbraw/zinc/66/69/59/803666959.db2.gz RCPXLIGSNJCREF-WSDLNYQXSA-N 1 3 337.431 2.082 20 30 EEEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108688362 804355328 /nfs/dbraw/zinc/35/53/28/804355328.db2.gz ZLTCLDPSVKSJKO-BZSNNMDCSA-N 1 3 331.504 2.243 20 30 EEEDHO N#Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170522296 812196286 /nfs/dbraw/zinc/19/62/86/812196286.db2.gz HEQLYMSPYLHXKS-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@@H]1C ZINC001448983530 1093987347 /nfs/dbraw/zinc/98/73/47/1093987347.db2.gz RSULWASLBBCYKZ-KBXCAEBGSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@@H]1C ZINC001448983530 1093987351 /nfs/dbraw/zinc/98/73/51/1093987351.db2.gz RSULWASLBBCYKZ-KBXCAEBGSA-N 1 3 346.450 2.118 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001496370338 1100963605 /nfs/dbraw/zinc/96/36/05/1100963605.db2.gz UGQSBGLHTUAWHM-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO C[NH+](C)CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000349850815 238193904 /nfs/dbraw/zinc/19/39/04/238193904.db2.gz GGDOITXMOWSLHB-IBGZPJMESA-N 1 3 338.455 2.431 20 30 EEEDHO C=CCN1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000358821713 465342478 /nfs/dbraw/zinc/34/24/78/465342478.db2.gz WVZJMQXANPGKBB-UHFFFAOYSA-N 1 3 346.475 2.399 20 30 EEEDHO CC(C)C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000280791108 464253669 /nfs/dbraw/zinc/25/36/69/464253669.db2.gz FSHASRANKFYFSW-QZTJIDSGSA-N 1 3 326.444 2.333 20 30 EEEDHO CCCNC(=[NH2+])NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000264068225 464280076 /nfs/dbraw/zinc/28/00/76/464280076.db2.gz CBEQGNALJGEPGP-UHFFFAOYSA-N 1 3 331.508 2.212 20 30 EEEDHO COc1ccc(CCNC(=[NH2+])NCC2(N(C)C)CCCC2)cc1OC ZINC000264134448 464287396 /nfs/dbraw/zinc/28/73/96/464287396.db2.gz UUBZKSSRBRUCLA-UHFFFAOYSA-N 1 3 348.491 2.025 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000173600818 464292251 /nfs/dbraw/zinc/29/22/51/464292251.db2.gz TXSVWQXKJAGFMB-SFHVURJKSA-N 1 3 341.499 2.358 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000173600818 464292258 /nfs/dbraw/zinc/29/22/58/464292258.db2.gz TXSVWQXKJAGFMB-SFHVURJKSA-N 1 3 341.499 2.358 20 30 EEEDHO N#C[C@H]1CCC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000274203550 464737752 /nfs/dbraw/zinc/73/77/52/464737752.db2.gz LNIHODBJPBMHBR-ROUUACIJSA-N 1 3 327.476 2.266 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000358777587 465317401 /nfs/dbraw/zinc/31/74/01/465317401.db2.gz AHZCJCVLUIJFRH-IRXDYDNUSA-N 1 3 336.524 2.304 20 30 EEEDHO CCC[NH+]1CCC(C[NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)CC1 ZINC000329891101 465463531 /nfs/dbraw/zinc/46/35/31/465463531.db2.gz HISGVHNRFAJCLC-INIZCTEOSA-N 1 3 333.480 2.071 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)C(C)C ZINC000417073431 466771006 /nfs/dbraw/zinc/77/10/06/466771006.db2.gz XVQOBEURIXSZLU-QZTJIDSGSA-N 1 3 336.524 2.326 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417533207 466877834 /nfs/dbraw/zinc/87/78/34/466877834.db2.gz FWDPXOXNEFQKDC-UHFFFAOYSA-N 1 3 330.476 2.197 20 30 EEEDHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418445465 467112326 /nfs/dbraw/zinc/11/23/26/467112326.db2.gz NFAWAOCMBJWSGW-GOSISDBHSA-N 1 3 345.491 2.149 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000106335921 526589767 /nfs/dbraw/zinc/58/97/67/526589767.db2.gz GMIKRBJBYSVSGQ-QGZVFWFLSA-N 1 3 336.524 2.447 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000110871989 526928628 /nfs/dbraw/zinc/92/86/28/526928628.db2.gz LNPUZRQYXIBXBD-UHFFFAOYSA-N 1 3 341.499 2.488 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000110871989 526928631 /nfs/dbraw/zinc/92/86/31/526928631.db2.gz LNPUZRQYXIBXBD-UHFFFAOYSA-N 1 3 341.499 2.488 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923135 526931753 /nfs/dbraw/zinc/93/17/53/526931753.db2.gz RWERIFDWZUNICJ-PXNSSMCTSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923135 526931758 /nfs/dbraw/zinc/93/17/58/526931758.db2.gz RWERIFDWZUNICJ-PXNSSMCTSA-N 1 3 339.483 2.111 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971800729 676811469 /nfs/dbraw/zinc/81/14/69/676811469.db2.gz LYBQAWXIWVVXFE-OALUTQOASA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971800729 676811470 /nfs/dbraw/zinc/81/14/70/676811470.db2.gz LYBQAWXIWVVXFE-OALUTQOASA-N 1 3 340.471 2.075 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023130687 679137451 /nfs/dbraw/zinc/13/74/51/679137451.db2.gz ZRMKVFKZHLABOK-VBQJREDUSA-N 1 3 346.500 2.231 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]21 ZINC000992706554 683286252 /nfs/dbraw/zinc/28/62/52/683286252.db2.gz FLMKYDWOCQXESK-BZUAXINKSA-N 1 3 339.911 2.440 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(C)ccc12 ZINC000303984769 686964804 /nfs/dbraw/zinc/96/48/04/686964804.db2.gz SKEMGRRCJXOETP-INIZCTEOSA-N 1 3 327.476 2.407 20 30 EEEDHO C[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793385 687704797 /nfs/dbraw/zinc/70/47/97/687704797.db2.gz QYSNIKOTLBOKLY-UHFFFAOYSA-N 1 3 346.500 2.138 20 30 EEEDHO C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793385 687704801 /nfs/dbraw/zinc/70/48/01/687704801.db2.gz QYSNIKOTLBOKLY-UHFFFAOYSA-N 1 3 346.500 2.138 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001009630596 688071544 /nfs/dbraw/zinc/07/15/44/688071544.db2.gz XMIBQJBZBXGFPF-HXUWFJFHSA-N 1 3 343.515 2.413 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001009630596 688071553 /nfs/dbraw/zinc/07/15/53/688071553.db2.gz XMIBQJBZBXGFPF-HXUWFJFHSA-N 1 3 343.515 2.413 20 30 EEEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000876723908 1199741174 /nfs/dbraw/zinc/74/11/74/1199741174.db2.gz ZTJMDLQOWGWOTH-DLBZAZTESA-N 1 3 335.879 2.409 20 30 EEEDHO C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133342418 1200767962 /nfs/dbraw/zinc/76/79/62/1200767962.db2.gz PDUHTXLEFFOVCS-FUHWJXTLSA-N 1 3 327.472 2.069 20 30 EEEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccc(C#N)nc3)C2)C1 ZINC001275295309 1205301109 /nfs/dbraw/zinc/30/11/09/1205301109.db2.gz GENQDHUMECAEIX-FQEVSTJZSA-N 1 3 341.503 2.193 20 30 EEEDHO CCc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCN2CC)N(C)C)cc1 ZINC000303783202 1213905198 /nfs/dbraw/zinc/90/51/98/1213905198.db2.gz NZVBFRJUKKQODD-MOPGFXCFSA-N 1 3 345.535 2.240 20 30 EEEDHO CC[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 ZINC000303908673 1213923815 /nfs/dbraw/zinc/92/38/15/1213923815.db2.gz XTAQVKAAUKKRJC-KRWDZBQOSA-N 1 3 347.482 2.137 20 30 EEEDHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC000960045011 1216320305 /nfs/dbraw/zinc/32/03/05/1216320305.db2.gz WNQGEQYVFQCLRD-RBUKOAKNSA-N 1 3 342.487 2.369 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000960305253 1216483406 /nfs/dbraw/zinc/48/34/06/1216483406.db2.gz WTQKWSLKBVISOK-QKYXUNIQSA-N 1 3 327.472 2.276 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961260101 1217115625 /nfs/dbraw/zinc/11/56/25/1217115625.db2.gz KAYWKCLSKIGQCO-PMACEKPBSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961260101 1217115627 /nfs/dbraw/zinc/11/56/27/1217115627.db2.gz KAYWKCLSKIGQCO-PMACEKPBSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC001016923033 1226973293 /nfs/dbraw/zinc/97/32/93/1226973293.db2.gz HILGILVHOVEVBF-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016923033 1226973294 /nfs/dbraw/zinc/97/32/94/1226973294.db2.gz HILGILVHOVEVBF-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145850 1229509678 /nfs/dbraw/zinc/50/96/78/1229509678.db2.gz RHNUQYYNXFBRMF-MGPQQGTHSA-N 1 3 344.297 2.005 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020145850 1229509682 /nfs/dbraw/zinc/50/96/82/1229509682.db2.gz RHNUQYYNXFBRMF-MGPQQGTHSA-N 1 3 344.297 2.005 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCCC2)CC1 ZINC001039041249 1230257602 /nfs/dbraw/zinc/25/76/02/1230257602.db2.gz AWOXGLKSHMCETD-FQEVSTJZSA-N 1 3 345.531 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RENYLKRDAFZTBG-UHFFFAOYSA-N 1 3 329.488 2.046 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC[C@H](C)F)CC2)CC1 ZINC001052958382 1245556991 /nfs/dbraw/zinc/55/69/91/1245556991.db2.gz MPNKSAJDCAKPFZ-WMZOPIPTSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC001052958382 1245556995 /nfs/dbraw/zinc/55/69/95/1245556995.db2.gz MPNKSAJDCAKPFZ-WMZOPIPTSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028336 1245710073 /nfs/dbraw/zinc/71/00/73/1245710073.db2.gz LDXQDKUXYBZGKW-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053028336 1245710076 /nfs/dbraw/zinc/71/00/76/1245710076.db2.gz LDXQDKUXYBZGKW-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001053105331 1245921183 /nfs/dbraw/zinc/92/11/83/1245921183.db2.gz NDQJVANSMNXHCW-MOPGFXCFSA-N 1 3 343.515 2.199 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001185659922 1278735119 /nfs/dbraw/zinc/73/51/19/1278735119.db2.gz TVNQPOUAQJFWLV-CRAIPNDOSA-N 1 3 325.472 2.356 20 30 EEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCCO1 ZINC001201128934 1289339368 /nfs/dbraw/zinc/33/93/68/1289339368.db2.gz LEVBRGDWSUEHME-KRWDZBQOSA-N 1 3 337.508 2.034 20 30 EEEDHO CCCCCCCN1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558109 1297711519 /nfs/dbraw/zinc/71/15/19/1297711519.db2.gz UMYNMRGSVQWINV-ZWKOTPCHSA-N 1 3 339.524 2.210 20 30 EEEDHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C)N(C)C ZINC001074710980 1298268660 /nfs/dbraw/zinc/26/86/60/1298268660.db2.gz LMEQCPMFMLIKBB-DOPJRALCSA-N 1 3 346.450 2.117 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099346714 1299064409 /nfs/dbraw/zinc/06/44/09/1299064409.db2.gz INHIOUJDAYYCKY-RBSFLKMASA-N 1 3 347.425 2.272 20 30 EEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994127 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333.520 2.347 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)CCC[NH+]1CCCC1)C[C@@H](C)O2 ZINC001111554444 1303683766 /nfs/dbraw/zinc/68/37/66/1303683766.db2.gz SOXBXRFBQYRIPY-GOSISDBHSA-N 1 3 349.519 2.130 20 30 EEEDHO CCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCCN ZINC001238879473 1308970966 /nfs/dbraw/zinc/97/09/66/1308970966.db2.gz SCCIIGNPGLFWGW-UHFFFAOYSA-N 1 3 335.558 2.375 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001120016576 1309283946 /nfs/dbraw/zinc/28/39/46/1309283946.db2.gz UDXUUAXMLYQTOH-UHFFFAOYSA-N 1 3 325.884 2.243 20 30 EEEDHO N#Cc1nccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460656 1319818319 /nfs/dbraw/zinc/81/83/19/1319818319.db2.gz WUTGAWKIMDOKBP-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001159915246 1320020615 /nfs/dbraw/zinc/02/06/15/1320020615.db2.gz IFHYBCUMLBOGSD-GOSISDBHSA-N 1 3 347.890 2.128 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160805032 1320275083 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C#CCN(C)CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000838505937 1372851814 /nfs/dbraw/zinc/85/18/14/1372851814.db2.gz ISJCSRHEUNMIOO-UHFFFAOYSA-N 1 3 334.508 2.038 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400054 1374532121 /nfs/dbraw/zinc/53/21/21/1374532121.db2.gz KMCRYVNQIJCLGM-PBHICJAKSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400054 1374532125 /nfs/dbraw/zinc/53/21/25/1374532125.db2.gz KMCRYVNQIJCLGM-PBHICJAKSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)c(C#N)c1)N(C)C ZINC001380962765 1381468168 /nfs/dbraw/zinc/46/81/68/1381468168.db2.gz GFOKEVIJHAKLPR-SFHVURJKSA-N 1 3 348.466 2.318 20 30 EEEDHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)N(C)C ZINC001380962765 1381468169 /nfs/dbraw/zinc/46/81/69/1381468169.db2.gz GFOKEVIJHAKLPR-SFHVURJKSA-N 1 3 348.466 2.318 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001394122961 1390622701 /nfs/dbraw/zinc/62/27/01/1390622701.db2.gz GOZNPFRTOYLJLF-CRAIPNDOSA-N 1 3 330.476 2.081 20 30 EEEDHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001423071973 1400398993 /nfs/dbraw/zinc/39/89/93/1400398993.db2.gz BAENBOBTHHXZLB-CQSZACIVSA-N 1 3 346.450 2.118 20 30 EEEDHO C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001755516991 1407571476 /nfs/dbraw/zinc/57/14/76/1407571476.db2.gz RAPIURWZJKIMON-DLBZAZTESA-N 1 3 342.487 2.275 20 30 EEEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105063997 768979605 /nfs/dbraw/zinc/97/96/05/768979605.db2.gz QHINUZJDJZOOGX-QZTJIDSGSA-N 1 3 341.499 2.459 20 30 EEEDHO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089510718 770026496 /nfs/dbraw/zinc/02/64/96/770026496.db2.gz DPKYMEMHROBIPC-MSOLQXFVSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089510718 770026504 /nfs/dbraw/zinc/02/65/04/770026504.db2.gz DPKYMEMHROBIPC-MSOLQXFVSA-N 1 3 333.520 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ZINC001106779318 796522903 /nfs/dbraw/zinc/52/29/03/796522903.db2.gz IRNCGTRPCOJLHP-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078818947 797024155 /nfs/dbraw/zinc/02/41/55/797024155.db2.gz GASGWCNXZOGTTA-ROUUACIJSA-N 1 3 325.456 2.012 20 30 EEEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818992 797024284 /nfs/dbraw/zinc/02/42/84/797024284.db2.gz HCGGSZYROPJIKB-ZWKOTPCHSA-N 1 3 325.456 2.012 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176986522 798675336 /nfs/dbraw/zinc/67/53/36/798675336.db2.gz QGZUQWIHYMWANJ-LJQANCHMSA-N 1 3 327.472 2.008 20 30 EEEDHO C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968703 800217653 /nfs/dbraw/zinc/21/76/53/800217653.db2.gz ZTXPVOZOULJFNI-YOEHRIQHSA-N 1 3 348.516 2.431 20 30 EEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001085332357 800371526 /nfs/dbraw/zinc/37/15/26/800371526.db2.gz UKHYZOBXLHSCAB-RKVPGOIHSA-N 1 3 325.472 2.402 20 30 EEEDHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC001447635305 1103007435 /nfs/dbraw/zinc/00/74/35/1103007435.db2.gz MZRUXEPLZGEJPA-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO N#Cc1cccc(CNC2(CNC(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001499461794 1112297881 /nfs/dbraw/zinc/29/78/81/1112297881.db2.gz PVHRALCMRFGBLA-UHFFFAOYSA-N 1 3 340.471 2.173 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000332224841 268088854 /nfs/dbraw/zinc/08/88/54/268088854.db2.gz WXUTURAFGZUUNK-MOPGFXCFSA-N 1 3 336.439 2.327 20 30 EEEDHO CN(c1ccc(Cl)c(C#N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377998438 277002810 /nfs/dbraw/zinc/00/28/10/277002810.db2.gz PVAIFQHNMMMSRR-CQSZACIVSA-N 1 3 333.867 2.211 20 30 EEEDHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(C#N)cc1 ZINC000565586125 319195392 /nfs/dbraw/zinc/19/53/92/319195392.db2.gz SLPONBJACWTSHM-KRWDZBQOSA-N 1 3 342.487 2.005 20 30 EEEDHO CC(C#N)C(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000342369253 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EEEDHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279566704 464116164 /nfs/dbraw/zinc/11/61/64/464116164.db2.gz PHLNLWKKTHOZCR-OALUTQOASA-N 1 3 338.455 2.477 20 30 EEEDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000282439289 464818499 /nfs/dbraw/zinc/81/84/99/464818499.db2.gz UKCXUHOCNCCINX-MRXNPFEDSA-N 1 3 330.476 2.266 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000353439965 465884885 /nfs/dbraw/zinc/88/48/85/465884885.db2.gz DJAAIEHWCDDPFT-IPMKNSEASA-N 1 3 333.520 2.437 20 30 EEEDHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OCC#N)cc1 ZINC000362031594 466499583 /nfs/dbraw/zinc/49/95/83/466499583.db2.gz CDZDNXVDLNHFAS-AEFFLSMTSA-N 1 3 342.487 2.408 20 30 EEEDHO N#CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592066058 468610178 /nfs/dbraw/zinc/61/01/78/468610178.db2.gz GUUMLWJOBNMQDM-MSOLQXFVSA-N 1 3 328.460 2.036 20 30 EEEDHO N#CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592066058 468610181 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342.487 2.275 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001086399742 802896891 /nfs/dbraw/zinc/89/68/91/802896891.db2.gz KPGCEONHOMRXFX-YHUYYLMFSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001086399742 802896898 /nfs/dbraw/zinc/89/68/98/802896898.db2.gz KPGCEONHOMRXFX-YHUYYLMFSA-N 1 3 325.884 2.240 20 30 EEEDHO C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354988 803358935 /nfs/dbraw/zinc/35/89/35/803358935.db2.gz SNZMIGWHOIZGHK-PKOBYXMFSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354988 803358943 /nfs/dbraw/zinc/35/89/43/803358943.db2.gz SNZMIGWHOIZGHK-PKOBYXMFSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCCC[N@H+]1CC[C@]2(C1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001131667166 813097455 /nfs/dbraw/zinc/09/74/55/813097455.db2.gz YPUOQDQISKRWGD-XLIONFOSSA-N 1 3 349.519 2.129 20 30 EEEDHO 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CC#CCN1CC=C(CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001161213135 1372881342 /nfs/dbraw/zinc/88/13/42/1372881342.db2.gz GZPXQOPBDMZWGD-HXUWFJFHSA-N 1 3 349.494 2.361 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001161213135 1372881346 /nfs/dbraw/zinc/88/13/46/1372881346.db2.gz GZPXQOPBDMZWGD-HXUWFJFHSA-N 1 3 349.494 2.361 20 30 EEEDHO C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001357572676 1373216515 /nfs/dbraw/zinc/21/65/15/1373216515.db2.gz JRXILPVHCPXHMV-OALUTQOASA-N 1 3 345.487 2.077 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001371880398 1375664213 /nfs/dbraw/zinc/66/42/13/1375664213.db2.gz JKDKJSKXKFBKSB-QAPCUYQASA-N 1 3 330.476 2.129 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C#N)C1)N(C)C ZINC001375890245 1378113744 /nfs/dbraw/zinc/11/37/44/1378113744.db2.gz PIAXGKOXWPMPDQ-ICSRJNTNSA-N 1 3 342.487 2.227 20 30 EEEDHO CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001390626788 1388706124 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20 30 EEEDHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398196345 1391801427 /nfs/dbraw/zinc/80/14/27/1391801427.db2.gz CLZGBEFZBSQRRJ-GOEBONIOSA-N 1 3 327.900 2.440 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@H](C)NCC#Cc1ccccc1)[NH+]1CCCC1 ZINC001752921201 1406549140 /nfs/dbraw/zinc/54/91/40/1406549140.db2.gz NSMDRUAQHQISRV-AZUAARDMSA-N 1 3 341.499 2.253 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001753874982 1406776175 /nfs/dbraw/zinc/77/61/75/1406776175.db2.gz CXOAYORWHKXADS-MOPGFXCFSA-N 1 3 333.520 2.445 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001753874982 1406776183 /nfs/dbraw/zinc/77/61/83/1406776183.db2.gz CXOAYORWHKXADS-MOPGFXCFSA-N 1 3 333.520 2.445 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001423680411 1400741670 /nfs/dbraw/zinc/74/16/70/1400741670.db2.gz AOMDBQQXKBOVPJ-CTWPCTMYSA-N 1 3 342.487 2.223 20 30 EEEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001104385033 760013920 /nfs/dbraw/zinc/01/39/20/760013920.db2.gz XFXQSLIKAZTAMG-GDBMZVCRSA-N 1 3 339.911 2.442 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966799 782661887 /nfs/dbraw/zinc/66/18/87/782661887.db2.gz WBDWDINQJSYQLL-MSOLQXFVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966799 782661891 /nfs/dbraw/zinc/66/18/91/782661891.db2.gz WBDWDINQJSYQLL-MSOLQXFVSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980179953 774011685 /nfs/dbraw/zinc/01/16/85/774011685.db2.gz UFMABIGHKCYHCL-BBWFWOEESA-N 1 3 339.911 2.297 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711852 779478120 /nfs/dbraw/zinc/47/81/20/779478120.db2.gz WTGZSVVATJRJMB-VQTJNVASSA-N 1 3 341.499 2.326 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211711852 779478125 /nfs/dbraw/zinc/47/81/25/779478125.db2.gz WTGZSVVATJRJMB-VQTJNVASSA-N 1 3 341.499 2.326 20 30 EEEDHO C[C@H](C[C@@H](C)NC(=O)CC[NH+](C)C)NCc1cc(F)ccc1C#N ZINC001135373353 783663282 /nfs/dbraw/zinc/66/32/82/783663282.db2.gz VWKHEGTTYLXBQF-ZIAGYGMSSA-N 1 3 334.439 2.022 20 30 EEEDHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)C(C)C ZINC001135478007 783869374 /nfs/dbraw/zinc/86/93/74/783869374.db2.gz SZHOXMNHSXVQPD-GOSISDBHSA-N 1 3 348.466 2.270 20 30 EEEDHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035260178 784215306 /nfs/dbraw/zinc/21/53/06/784215306.db2.gz RFKWDYSINPMCQQ-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035260178 784215309 /nfs/dbraw/zinc/21/53/09/784215309.db2.gz RFKWDYSINPMCQQ-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@@H+]1C ZINC000817290088 784631587 /nfs/dbraw/zinc/63/15/87/784631587.db2.gz GXRCHGNHRVECMQ-KGLIPLIRSA-N 1 3 342.468 2.499 20 30 EEEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@H+]1C ZINC000817290088 784631595 /nfs/dbraw/zinc/63/15/95/784631595.db2.gz GXRCHGNHRVECMQ-KGLIPLIRSA-N 1 3 342.468 2.499 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](F)CN(CC)CC)CCC[C@@H]12 ZINC001107424475 787198238 /nfs/dbraw/zinc/19/82/38/787198238.db2.gz PWOMSFQJGYXKHN-ZHALLVOQSA-N 1 3 337.483 2.050 20 30 EEEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)CN(CC)CC)CCC[C@@H]12 ZINC001107424475 787198242 /nfs/dbraw/zinc/19/82/42/787198242.db2.gz PWOMSFQJGYXKHN-ZHALLVOQSA-N 1 3 337.483 2.050 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000996980634 788325426 /nfs/dbraw/zinc/32/54/26/788325426.db2.gz YWCAULVSGZHRKB-LJQANCHMSA-N 1 3 342.487 2.225 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590853 791360144 /nfs/dbraw/zinc/36/01/44/791360144.db2.gz CEMPJLRIXGALOY-HZPDHXFCSA-N 1 3 330.476 2.271 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595002 791366436 /nfs/dbraw/zinc/36/64/36/791366436.db2.gz WDBKYERTUJXSOI-UONOGXRCSA-N 1 3 336.505 2.333 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942515 793035405 /nfs/dbraw/zinc/03/54/05/793035405.db2.gz UHNSMLSFYYGGFP-QZTJIDSGSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186616 793122843 /nfs/dbraw/zinc/12/28/43/793122843.db2.gz GOWYRWMVPDAKLZ-NSISKUIASA-N 1 3 349.494 2.335 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186616 793122848 /nfs/dbraw/zinc/12/28/48/793122848.db2.gz GOWYRWMVPDAKLZ-NSISKUIASA-N 1 3 349.494 2.335 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000998899084 793537023 /nfs/dbraw/zinc/53/70/23/793537023.db2.gz QQAVCXKFIFCMCT-FHERZECASA-N 1 3 327.900 2.296 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998899084 793537027 /nfs/dbraw/zinc/53/70/27/793537027.db2.gz QQAVCXKFIFCMCT-FHERZECASA-N 1 3 327.900 2.296 20 30 EEEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001079154780 794415929 /nfs/dbraw/zinc/41/59/29/794415929.db2.gz VTDCNYXDIDOVIN-IPMKNSEASA-N 1 3 345.462 2.073 20 30 EEEDHO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCCN1CCC)CCO2 ZINC001093397531 795171870 /nfs/dbraw/zinc/17/18/70/795171870.db2.gz BWSDJAQENWAGGF-FDYSRKEFSA-N 1 3 349.519 2.177 20 30 EEEDHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)N(C)C ZINC001093859065 795741778 /nfs/dbraw/zinc/74/17/78/795741778.db2.gz NJZYOLWTXDUAAG-ATZDWAIDSA-N 1 3 342.487 2.083 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001080998358 796548413 /nfs/dbraw/zinc/54/84/13/796548413.db2.gz YYMMFDVXLHHGQI-YLJYHZDGSA-N 1 3 343.515 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2C)CC1 ZINC001080998358 796548416 /nfs/dbraw/zinc/54/84/16/796548416.db2.gz YYMMFDVXLHHGQI-YLJYHZDGSA-N 1 3 343.515 2.269 20 30 EEEDHO C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262277 798059424 /nfs/dbraw/zinc/05/94/24/798059424.db2.gz FGRLTOLFAAQOEP-CRAIPNDOSA-N 1 3 325.472 2.097 20 30 EEEDHO C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001175315297 798072992 /nfs/dbraw/zinc/07/29/92/798072992.db2.gz DKEKNXZFYUUXCR-KGLIPLIRSA-N 1 3 348.329 2.500 20 30 EEEDHO C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204617 800308999 /nfs/dbraw/zinc/30/89/99/800308999.db2.gz VXBAAQWKGMFRAZ-LPHOPBHVSA-N 1 3 345.487 2.143 20 30 EEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639724 800950892 /nfs/dbraw/zinc/95/08/92/800950892.db2.gz UVWWWYCCFRMOOV-OALUTQOASA-N 1 3 349.519 2.129 20 30 EEEDHO C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639724 800950893 /nfs/dbraw/zinc/95/08/93/800950893.db2.gz UVWWWYCCFRMOOV-OALUTQOASA-N 1 3 349.519 2.129 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086277923 802658815 /nfs/dbraw/zinc/65/88/15/802658815.db2.gz AEFCXTKCBVCFSO-PUZFROQSSA-N 1 3 343.515 2.316 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001129417384 810832404 /nfs/dbraw/zinc/83/24/04/810832404.db2.gz MSUHGNPPHXRZQN-CQSZACIVSA-N 1 3 334.489 2.088 20 30 EEEDHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001129417384 810832411 /nfs/dbraw/zinc/83/24/11/810832411.db2.gz MSUHGNPPHXRZQN-CQSZACIVSA-N 1 3 334.489 2.088 20 30 EEEDHO N#Cc1cncnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170523656 812217614 /nfs/dbraw/zinc/21/76/14/812217614.db2.gz APBDAQQTDYIJPK-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)N(C)C ZINC001440360043 1093521890 /nfs/dbraw/zinc/52/18/90/1093521890.db2.gz XIEMIJPIOOGNRD-KRWDZBQOSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@H](CNCc1ccccc1C#N)CNC(=O)CC1CC[NH+](C)CC1 ZINC001495753475 1101532172 /nfs/dbraw/zinc/53/21/72/1101532172.db2.gz NPMFDJONQCPSAC-MRXNPFEDSA-N 1 3 342.487 2.132 20 30 EEEDHO C[NH+](C)CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000349850816 238194575 /nfs/dbraw/zinc/19/45/75/238194575.db2.gz GGDOITXMOWSLHB-LJQANCHMSA-N 1 3 338.455 2.431 20 30 EEEDHO C#CCNC(=O)CCNCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000491717299 533162950 /nfs/dbraw/zinc/16/29/50/533162950.db2.gz WAMXTVUOMVPMPS-QGZVFWFLSA-N 1 3 327.472 2.148 20 30 EEEDHO C#CCNC(=O)CCNCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000491717299 533162953 /nfs/dbraw/zinc/16/29/53/533162953.db2.gz WAMXTVUOMVPMPS-QGZVFWFLSA-N 1 3 327.472 2.148 20 30 EEEDHO C[NH+]1CCC(N2CCC(Nc3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000274284515 256370920 /nfs/dbraw/zinc/37/09/20/256370920.db2.gz WGFROYJKMBOPLD-UHFFFAOYSA-N 1 3 343.431 2.437 20 30 EEEDHO C=C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000358301077 465045298 /nfs/dbraw/zinc/04/52/98/465045298.db2.gz OQNDUVJPHYFZFR-HUUCEWRRSA-N 1 3 339.505 2.142 20 30 EEEDHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000358335808 465065390 /nfs/dbraw/zinc/06/53/90/465065390.db2.gz JZKYPLPIVKWEIV-YJBOKZPZSA-N 1 3 326.444 2.477 20 30 EEEDHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000358335808 465065394 /nfs/dbraw/zinc/06/53/94/465065394.db2.gz JZKYPLPIVKWEIV-YJBOKZPZSA-N 1 3 326.444 2.477 20 30 EEEDHO COc1ccc(CCNC(=[NH2+])NCCN2CCCCCC2)cc1OC ZINC000264095043 464282373 /nfs/dbraw/zinc/28/23/73/464282373.db2.gz MISWTVXNLHEEGT-UHFFFAOYSA-N 1 3 348.491 2.027 20 30 EEEDHO CN1CCN(Cc2ccc(CNC(=[NH2+])Nc3ccccc3)cc2)CC1 ZINC000264142266 464288453 /nfs/dbraw/zinc/28/84/53/464288453.db2.gz WWTNPJJTDYFLIF-UHFFFAOYSA-N 1 3 337.471 2.361 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658414 465463370 /nfs/dbraw/zinc/46/33/70/465463370.db2.gz HLAJFIPZFXGMHL-IEBWSBKVSA-N 1 3 348.535 2.469 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658414 465463375 /nfs/dbraw/zinc/46/33/75/465463375.db2.gz HLAJFIPZFXGMHL-IEBWSBKVSA-N 1 3 348.535 2.469 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000371596258 465893631 /nfs/dbraw/zinc/89/36/31/465893631.db2.gz FUCBMHHOSFJCJO-KRWDZBQOSA-N 1 3 334.508 2.343 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000371596258 465893639 /nfs/dbraw/zinc/89/36/39/465893639.db2.gz FUCBMHHOSFJCJO-KRWDZBQOSA-N 1 3 334.508 2.343 20 30 EEEDHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H](N)CCCC#N ZINC000424139064 466987720 /nfs/dbraw/zinc/98/77/20/466987720.db2.gz DVTPOTNFMROXJC-JFIYKMOQSA-N 1 3 342.487 2.280 20 30 EEEDHO Cn1cc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1C#N ZINC000397579317 467442294 /nfs/dbraw/zinc/44/22/94/467442294.db2.gz DHGQJNVKJDLFCS-UHFFFAOYSA-N 1 3 338.455 2.013 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660598356 471409681 /nfs/dbraw/zinc/40/96/81/471409681.db2.gz XJKVOZAVKOCOCR-GOSISDBHSA-N 1 3 348.535 2.448 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660598356 471409684 /nfs/dbraw/zinc/40/96/84/471409684.db2.gz XJKVOZAVKOCOCR-GOSISDBHSA-N 1 3 348.535 2.448 20 30 EEEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174267590 529143599 /nfs/dbraw/zinc/14/35/99/529143599.db2.gz XJQZQNKUZWMFCH-UHFFFAOYSA-N 1 3 330.476 2.074 20 30 EEEDHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411598 577720802 /nfs/dbraw/zinc/72/08/02/577720802.db2.gz AQRKMFGDLPNTEX-RBUKOAKNSA-N 1 3 331.460 2.024 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001021700007 676358895 /nfs/dbraw/zinc/35/88/95/676358895.db2.gz MDIYYOBLIBYRKG-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001021700007 676358896 /nfs/dbraw/zinc/35/88/96/676358896.db2.gz MDIYYOBLIBYRKG-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740983 676399746 /nfs/dbraw/zinc/39/97/46/676399746.db2.gz XVFPGAZSTOOCHI-PMACEKPBSA-N 1 3 339.483 2.308 20 30 EEEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262384859 679436661 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327.472 2.212 20 30 EEEDHO CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105428727 1187033016 /nfs/dbraw/zinc/03/30/16/1187033016.db2.gz BIJBJQZRUZFTNI-SBHAEUEKSA-N 1 3 341.499 2.156 20 30 EEEDHO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604286 1189034768 /nfs/dbraw/zinc/03/47/68/1189034768.db2.gz VVVWTLPSIAIBEI-RBUKOAKNSA-N 1 3 327.472 2.471 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604286 1189034772 /nfs/dbraw/zinc/03/47/72/1189034772.db2.gz VVVWTLPSIAIBEI-RBUKOAKNSA-N 1 3 327.472 2.471 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887758 1200154601 /nfs/dbraw/zinc/15/46/01/1200154601.db2.gz HUWGTQIVSBZGRT-HIFRSBDPSA-N 1 3 327.900 2.297 20 30 EEEDHO N#Cc1cccnc1OC1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925644733 1206139395 /nfs/dbraw/zinc/13/93/95/1206139395.db2.gz LGXBFBHISJTETQ-NHXBNOBNSA-N 1 3 338.455 2.229 20 30 EEEDHO 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C#CCN1CC=C(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001161220135 1320423864 /nfs/dbraw/zinc/42/38/64/1320423864.db2.gz VXDBCLGHGKAZMD-UHFFFAOYSA-N 1 3 339.483 2.176 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161446041 1320504230 /nfs/dbraw/zinc/50/42/30/1320504230.db2.gz VUONJUFNWRANIK-RTBURBONSA-N 1 3 329.488 2.165 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161446041 1320504232 /nfs/dbraw/zinc/50/42/32/1320504232.db2.gz VUONJUFNWRANIK-RTBURBONSA-N 1 3 329.488 2.165 20 30 EEEDHO C=CCOCC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203904352 1321986843 /nfs/dbraw/zinc/98/68/43/1321986843.db2.gz SSDYMZYERMADKB-UHFFFAOYSA-N 1 3 345.487 2.145 20 30 EEEDHO C=CCCC[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001263121470 1322435821 /nfs/dbraw/zinc/43/58/21/1322435821.db2.gz XMGWTFINMNOHCR-QAPCUYQASA-N 1 3 330.476 2.407 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205452885 1323142876 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EEEDHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC001370783992 1375033149 /nfs/dbraw/zinc/03/31/49/1375033149.db2.gz ZDJRAYFDOXAXIO-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001371690428 1375583165 /nfs/dbraw/zinc/58/31/65/1375583165.db2.gz NSVPOHZXRUCGPU-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001371690428 1375583167 /nfs/dbraw/zinc/58/31/67/1375583167.db2.gz NSVPOHZXRUCGPU-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001375892756 1378116000 /nfs/dbraw/zinc/11/60/00/1378116000.db2.gz ASQOQWUKGIYDJF-AZUAARDMSA-N 1 3 342.487 2.227 20 30 EEEDHO C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)NCc1ccccc1C#N ZINC001381234504 1381571433 /nfs/dbraw/zinc/57/14/33/1381571433.db2.gz TUNKOPVMMUWZHX-KRWDZBQOSA-N 1 3 342.487 2.419 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001752834158 1406461717 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339.499 2.487 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089564865 770422067 /nfs/dbraw/zinc/42/20/67/770422067.db2.gz KGAPEHCMQIVDOP-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC(C)(C)C2)CC1 ZINC001089564865 770422070 /nfs/dbraw/zinc/42/20/70/770422070.db2.gz KGAPEHCMQIVDOP-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC000982296086 779606401 /nfs/dbraw/zinc/60/64/01/779606401.db2.gz JLJWBNSCMWQZOA-YSIASYRMSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC000982296086 779606405 /nfs/dbraw/zinc/60/64/05/779606405.db2.gz JLJWBNSCMWQZOA-YSIASYRMSA-N 1 3 331.504 2.053 20 30 EEEDHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236893027 779967759 /nfs/dbraw/zinc/96/77/59/779967759.db2.gz LWSSXMXUNKEUQZ-GOSISDBHSA-N 1 3 344.503 2.485 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 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PKMSBLQCOGTQAJ-INIZCTEOSA-N 1 3 345.462 2.328 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001086119354 802216611 /nfs/dbraw/zinc/21/66/11/802216611.db2.gz KPGCEONHOMRXFX-FZKCQIBNSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001086119354 802216617 /nfs/dbraw/zinc/21/66/17/802216617.db2.gz KPGCEONHOMRXFX-FZKCQIBNSA-N 1 3 325.884 2.240 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001131666841 813096061 /nfs/dbraw/zinc/09/60/61/813096061.db2.gz SZCXUEUTILUCFP-IEBWSBKVSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(N(C)C)CCC1)C[C@@H](C)O2 ZINC001131666841 813096069 /nfs/dbraw/zinc/09/60/69/813096069.db2.gz SZCXUEUTILUCFP-IEBWSBKVSA-N 1 3 349.519 2.129 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440739907 1093988458 /nfs/dbraw/zinc/98/84/58/1093988458.db2.gz UJCXTOVREUMTBZ-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001440739907 1093988459 /nfs/dbraw/zinc/98/84/59/1093988459.db2.gz UJCXTOVREUMTBZ-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280461329 270016927 /nfs/dbraw/zinc/01/69/27/270016927.db2.gz SKLXHTQTKJEDMD-RBUKOAKNSA-N 1 3 338.455 2.431 20 30 EEEDHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280461329 270016928 /nfs/dbraw/zinc/01/69/28/270016928.db2.gz SKLXHTQTKJEDMD-RBUKOAKNSA-N 1 3 338.455 2.431 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000128856711 462676225 /nfs/dbraw/zinc/67/62/25/462676225.db2.gz NFVFVSCNLILNOY-UHFFFAOYSA-N 1 3 345.531 2.491 20 30 EEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173195963 464208855 /nfs/dbraw/zinc/20/88/55/464208855.db2.gz CRYGWTCMRDRBHD-GOSISDBHSA-N 1 3 334.508 2.201 20 30 EEEDHO C=CCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173195963 464208863 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C[N@@H+](CCCO)C1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433369755 467323976 /nfs/dbraw/zinc/32/39/76/467323976.db2.gz ZLCWVCBVOBPONQ-SFHVURJKSA-N 1 3 343.471 2.064 20 30 EEEDHO CC[NH+]1CCN(Cc2ccccc2CNC[C@H](C#N)CCC#N)CC1 ZINC000591726115 468510642 /nfs/dbraw/zinc/51/06/42/468510642.db2.gz RYGKPZLCDXGTNL-SFHVURJKSA-N 1 3 339.487 2.357 20 30 EEEDHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)CN1CCCCC1 ZINC000574032834 469248640 /nfs/dbraw/zinc/24/86/40/469248640.db2.gz YFJJPUHBUOXOKW-PKOBYXMFSA-N 1 3 345.487 2.204 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000106339380 526591008 /nfs/dbraw/zinc/59/10/08/526591008.db2.gz HNWLEORJQIZSPU-KRWDZBQOSA-N 1 3 336.524 2.447 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000106339380 526591009 /nfs/dbraw/zinc/59/10/09/526591009.db2.gz HNWLEORJQIZSPU-KRWDZBQOSA-N 1 3 336.524 2.447 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214801 676157532 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20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001023761808 679567399 /nfs/dbraw/zinc/56/73/99/679567399.db2.gz JUKWZYHEPSLHGZ-LJQANCHMSA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001023761808 679567401 /nfs/dbraw/zinc/56/74/01/679567401.db2.gz JUKWZYHEPSLHGZ-LJQANCHMSA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C[C@@H](C)CC)CC1 ZINC001024812729 681465438 /nfs/dbraw/zinc/46/54/38/681465438.db2.gz RVNGFQBVAFJQPD-PKOBYXMFSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001024812729 681465441 /nfs/dbraw/zinc/46/54/41/681465441.db2.gz RVNGFQBVAFJQPD-PKOBYXMFSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591384 683061136 /nfs/dbraw/zinc/06/11/36/683061136.db2.gz BCAUKNSAUALRNC-FXAWDEMLSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001088382294 1186754651 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C#CCN1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCC(C)C)C2)CC1 ZINC001034538579 1196361777 /nfs/dbraw/zinc/36/17/77/1196361777.db2.gz QJZYRVUDSJKZFP-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)CC1 ZINC001034538579 1196361781 /nfs/dbraw/zinc/36/17/81/1196361781.db2.gz QJZYRVUDSJKZFP-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)[NH+]1CCCCCC1 ZINC001134750399 1199791252 /nfs/dbraw/zinc/79/12/52/1199791252.db2.gz XEIMMEXJYZRGDL-HNNXBMFYSA-N 1 3 346.450 2.168 20 30 EEEDHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1CC#N ZINC001276242988 1205851302 /nfs/dbraw/zinc/85/13/02/1205851302.db2.gz ZXCLYSLWPOWHKC-IHWFROFDSA-N 1 3 326.488 2.399 20 30 EEEDHO Cc1ccc(C#N)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000931217678 1206616811 /nfs/dbraw/zinc/61/68/11/1206616811.db2.gz WAOIQLWOPVRYIK-UHFFFAOYSA-N 1 3 340.471 2.155 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)[C@H](C)C2)CC1 ZINC000948070698 1208854333 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WNQGEQYVFQCLRD-OALUTQOASA-N 1 3 342.487 2.369 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180486 1217073556 /nfs/dbraw/zinc/07/35/56/1217073556.db2.gz HKESATFYSWNGAI-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180486 1217073557 /nfs/dbraw/zinc/07/35/57/1217073557.db2.gz HKESATFYSWNGAI-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315509 1217507883 /nfs/dbraw/zinc/50/78/83/1217507883.db2.gz UTEXWVYXXLCXHZ-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315509 1217507886 /nfs/dbraw/zinc/50/78/86/1217507886.db2.gz UTEXWVYXXLCXHZ-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000965063093 1218867254 /nfs/dbraw/zinc/86/72/54/1218867254.db2.gz JVGJJKFGJFZLLL-VPCQXRJPSA-N 1 3 325.884 2.098 20 30 EEEDHO 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ZINC001211307334 1295810876 /nfs/dbraw/zinc/81/08/76/1295810876.db2.gz UENPINICLLRUHH-LJJUJYJISA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@H]2C)CC1 ZINC001211307334 1295810889 /nfs/dbraw/zinc/81/08/89/1295810889.db2.gz UENPINICLLRUHH-LJJUJYJISA-N 1 3 331.504 2.124 20 30 EEEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001215003485 1296687747 /nfs/dbraw/zinc/68/77/47/1296687747.db2.gz FUWFQABWTLXGGK-CRAIPNDOSA-N 1 3 342.487 2.225 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001073599701 1297294291 /nfs/dbraw/zinc/29/42/91/1297294291.db2.gz LHTPOVCFKLBTFQ-MSOLQXFVSA-N 1 3 337.508 2.033 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001073599701 1297294298 /nfs/dbraw/zinc/29/42/98/1297294298.db2.gz LHTPOVCFKLBTFQ-MSOLQXFVSA-N 1 3 337.508 2.033 20 30 EEEDHO N#Cc1c(NC(=O)[C@H]2CCC3(C2)CC[NH2+]CC3)sc2c1CCNC2 ZINC001218552113 1297708669 /nfs/dbraw/zinc/70/86/69/1297708669.db2.gz 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C=CCC[N@@H+](CCCNC(=O)[C@@H](C1CC1)N(C)C)Cc1cccnc1 ZINC001230778634 1303451292 /nfs/dbraw/zinc/45/12/92/1303451292.db2.gz UTRIDYXISKVIQX-LJQANCHMSA-N 1 3 344.503 2.306 20 30 EEEDHO C=CCC[N@H+](CCCNC(=O)[C@@H](C1CC1)N(C)C)Cc1cccnc1 ZINC001230778634 1303451296 /nfs/dbraw/zinc/45/12/96/1303451296.db2.gz UTRIDYXISKVIQX-LJQANCHMSA-N 1 3 344.503 2.306 20 30 EEEDHO CC(=O)[C@H](C)[NH2+][C@@]12CC[C@@](NCc3cc(C#N)n(C)c3)(C1)CCC2 ZINC001277888353 1305021793 /nfs/dbraw/zinc/02/17/93/1305021793.db2.gz IBWLFHIWMDDMBH-KYNGSXCRSA-N 1 3 328.460 2.399 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001152330005 1316657452 /nfs/dbraw/zinc/65/74/52/1316657452.db2.gz HITRDIAQANYRTQ-MSOLQXFVSA-N 1 3 333.520 2.254 20 30 EEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)(COC)CC1 ZINC001162487488 1320872789 /nfs/dbraw/zinc/87/27/89/1320872789.db2.gz GGPKMNWUHQCALJ-KRWDZBQOSA-N 1 3 339.524 2.138 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162928513 1320990258 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CC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001203772046 1321958004 /nfs/dbraw/zinc/95/80/04/1321958004.db2.gz PNSAHYKZMAXCTO-OALUTQOASA-N 1 3 339.483 2.402 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001203924816 1321990753 /nfs/dbraw/zinc/99/07/53/1321990753.db2.gz GMCOSAXEKAWSPK-UHFFFAOYSA-N 1 3 346.450 2.118 20 30 EEEDHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001263704491 1322505422 /nfs/dbraw/zinc/50/54/22/1322505422.db2.gz XUSLFTJOWBCUFD-CRAIPNDOSA-N 1 3 347.890 2.080 20 30 EEEDHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001210216879 1325202630 /nfs/dbraw/zinc/20/26/30/1325202630.db2.gz AXSDVWQDIZVYEO-QGZVFWFLSA-N 1 3 346.450 2.120 20 30 EEEDHO C[NH+]=C(NCCCN1CCc2ccccc2C1)NCc1ccco1 ZINC000849044330 1338831820 /nfs/dbraw/zinc/83/18/20/1338831820.db2.gz HSVGXUOUJQCBNS-UHFFFAOYSA-N 1 3 326.444 2.393 20 30 EEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCCO1 ZINC001201557052 1368819960 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337.483 2.145 20 30 EEEDHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001755533101 1407600633 /nfs/dbraw/zinc/60/06/33/1407600633.db2.gz JDYHJMJXIOIUQG-IBGZPJMESA-N 1 3 337.483 2.145 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC)[C@@H]2CC)CC1 ZINC001087840398 782349790 /nfs/dbraw/zinc/34/97/90/782349790.db2.gz WARNSAYDOPDXJF-YTQUADARSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)[C@@H]2CC)CC1 ZINC001087840398 782349800 /nfs/dbraw/zinc/34/98/00/782349800.db2.gz WARNSAYDOPDXJF-YTQUADARSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129701 782949938 /nfs/dbraw/zinc/94/99/38/782949938.db2.gz AYDLBIRVSAKNJD-QRVBRYPASA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089657493 774008955 /nfs/dbraw/zinc/00/89/55/774008955.db2.gz VCOATBLMWSJFAT-SFHVURJKSA-N 1 3 345.531 2.493 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001106910472 774874247 /nfs/dbraw/zinc/87/42/47/774874247.db2.gz ZRFKXIAPPXUIEN-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089819413 776799116 /nfs/dbraw/zinc/79/91/16/776799116.db2.gz GOUBWXSPBGUXCC-XSLAGTTESA-N 1 3 331.504 2.216 20 30 EEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089819413 776799128 /nfs/dbraw/zinc/79/91/28/776799128.db2.gz GOUBWXSPBGUXCC-XSLAGTTESA-N 1 3 331.504 2.216 20 30 EEEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]C)CC1 ZINC000261689544 780285857 /nfs/dbraw/zinc/28/58/57/780285857.db2.gz IGNMLEZYSPBALM-RCCFBDPRSA-N 1 3 346.519 2.150 20 30 EEEDHO C=C(Br)CN[C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135307123 783566277 /nfs/dbraw/zinc/56/62/77/783566277.db2.gz ANAROQXPFYSSGA-STQMWFEESA-N 1 3 334.302 2.110 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135975660 784923712 /nfs/dbraw/zinc/92/37/12/784923712.db2.gz ADZPAARTEOJPJY-HZPDHXFCSA-N 1 3 330.476 2.273 20 30 EEEDHO C=CCc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc(OC)c1OC ZINC000817909442 785061799 /nfs/dbraw/zinc/06/17/99/785061799.db2.gz QZKKKJWCEAHBKH-RRQGHBQHSA-N 1 3 334.460 2.274 20 30 EEEDHO C#CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)C1CCCC1 ZINC001098820609 787362058 /nfs/dbraw/zinc/36/20/58/787362058.db2.gz JSEGMKCRNBPNGX-APWZRJJASA-N 1 3 342.487 2.363 20 30 EEEDHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001171162399 789578713 /nfs/dbraw/zinc/57/87/13/789578713.db2.gz XQJNCNZULYUVOA-APWZRJJASA-N 1 3 342.487 2.275 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593106 791361750 /nfs/dbraw/zinc/36/17/50/791361750.db2.gz OANCNCJLFZTHQG-LSDHHAIUSA-N 1 3 348.466 2.410 20 30 EEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998091502 791946513 /nfs/dbraw/zinc/94/65/13/791946513.db2.gz BYPCOTFIJGXQNR-FHWLQOOXSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998091502 791946519 /nfs/dbraw/zinc/94/65/19/791946519.db2.gz BYPCOTFIJGXQNR-FHWLQOOXSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902917 796441613 /nfs/dbraw/zinc/44/16/13/796441613.db2.gz SCARNJQWTCNXHU-VQTJNVASSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902917 796441615 /nfs/dbraw/zinc/44/16/15/796441615.db2.gz SCARNJQWTCNXHU-VQTJNVASSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F)CC1 ZINC001176736872 798542267 /nfs/dbraw/zinc/54/22/67/798542267.db2.gz FUFPFZBYTBVLQX-SJORKVTESA-N 1 3 339.499 2.344 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]C[C@H](F)CC)CC1 ZINC001176739706 798543728 /nfs/dbraw/zinc/54/37/28/798543728.db2.gz YSDYFUZMSFVZQU-SJLPKXTDSA-N 1 3 339.499 2.344 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176758421 798570965 /nfs/dbraw/zinc/57/09/65/798570965.db2.gz BKDOOZRVIBGMTE-QZTJIDSGSA-N 1 3 339.524 2.328 20 30 EEEDHO N#Cc1ccc(CN(C(=O)Cc2c[nH]cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001176835887 798595607 /nfs/dbraw/zinc/59/56/07/798595607.db2.gz GOHPZUBRFUATEL-SAABIXHNSA-N 1 3 337.427 2.123 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001004200551 801249840 /nfs/dbraw/zinc/24/98/40/801249840.db2.gz CSVVFCGKUZJNGT-UHFFFAOYSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986994 801840814 /nfs/dbraw/zinc/84/08/14/801840814.db2.gz REINRHIMKNAAIK-LJQANCHMSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC(C)(C)C2)CC1 ZINC001085986994 801840820 /nfs/dbraw/zinc/84/08/20/801840820.db2.gz REINRHIMKNAAIK-LJQANCHMSA-N 1 3 345.531 2.301 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085486 802106740 /nfs/dbraw/zinc/10/67/40/802106740.db2.gz HNACMYFOXFNTIT-LVQVYYBASA-N 1 3 325.884 2.098 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085486 802106745 /nfs/dbraw/zinc/10/67/45/802106745.db2.gz HNACMYFOXFNTIT-LVQVYYBASA-N 1 3 325.884 2.098 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585744 802424458 /nfs/dbraw/zinc/42/44/58/802424458.db2.gz JZNQJZBHMNLLPK-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585744 802424463 /nfs/dbraw/zinc/42/44/63/802424463.db2.gz JZNQJZBHMNLLPK-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480536569 1100366412 /nfs/dbraw/zinc/36/64/12/1100366412.db2.gz IHPJRQYDOSMIFH-HNNXBMFYSA-N 1 3 330.476 2.130 20 30 EEEDHO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001497817091 1103144933 /nfs/dbraw/zinc/14/49/33/1103144933.db2.gz LMEUUCAQTHPUNE-MRXNPFEDSA-N 1 3 342.487 2.417 20 30 EEEDHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1cccc(C#N)c1 ZINC001448146141 1104105051 /nfs/dbraw/zinc/10/50/51/1104105051.db2.gz JQVLAJBWVCNISU-KRWDZBQOSA-N 1 3 342.487 2.371 20 30 EEEDHO CC1CC[NH+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280085223 265988918 /nfs/dbraw/zinc/98/89/18/265988918.db2.gz WDGBHWWTAABSLF-IBGZPJMESA-N 1 3 338.455 2.479 20 30 EEEDHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000047977535 462844444 /nfs/dbraw/zinc/84/44/44/462844444.db2.gz GUIKDWSAWFMSBH-IBGZPJMESA-N 1 3 345.487 2.352 20 30 EEEDHO COc1ccc(CNC(=[NH2+])NCC2(N(C)C)CCCCC2)cc1OC ZINC000264096338 464282712 /nfs/dbraw/zinc/28/27/12/464282712.db2.gz MAFWGJFVKBBPEE-UHFFFAOYSA-N 1 3 348.491 2.373 20 30 EEEDHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338913492 466478799 /nfs/dbraw/zinc/47/87/99/466478799.db2.gz QWGXLMBVVJGIKU-SJLPKXTDSA-N 1 3 334.508 2.239 20 30 EEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424139069 466988573 /nfs/dbraw/zinc/98/85/73/466988573.db2.gz DVTPOTNFMROXJC-OGWHTMIXSA-N 1 3 342.487 2.280 20 30 EEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424139069 466988575 /nfs/dbraw/zinc/98/85/75/466988575.db2.gz DVTPOTNFMROXJC-OGWHTMIXSA-N 1 3 342.487 2.280 20 30 EEEDHO C=CCOc1cccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415139397 467499315 /nfs/dbraw/zinc/49/93/15/467499315.db2.gz ZPFNCNMXMDKGLQ-QGZVFWFLSA-N 1 3 327.432 2.139 20 30 EEEDHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130756 468072688 /nfs/dbraw/zinc/07/26/88/468072688.db2.gz WGNASQRBGDXDAD-YLJYHZDGSA-N 1 3 326.488 2.325 20 30 EEEDHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000488130756 468072691 /nfs/dbraw/zinc/07/26/91/468072691.db2.gz WGNASQRBGDXDAD-YLJYHZDGSA-N 1 3 326.488 2.325 20 30 EEEDHO CN1CC[N@H+](CCCNC[C@@H](C#N)CCC#N)[C@H](c2ccccc2)C1 ZINC000591725386 468510872 /nfs/dbraw/zinc/51/08/72/468510872.db2.gz WICOVGJQPYKICC-QUCCMNQESA-N 1 3 339.487 2.398 20 30 EEEDHO CN1CC[N@@H+](CCCNC[C@@H](C#N)CCC#N)[C@H](c2ccccc2)C1 ZINC000591725386 468510876 /nfs/dbraw/zinc/51/08/76/468510876.db2.gz WICOVGJQPYKICC-QUCCMNQESA-N 1 3 339.487 2.398 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C(C)C ZINC000645415066 470296724 /nfs/dbraw/zinc/29/67/24/470296724.db2.gz DJAAIEHWCDDPFT-OTWHNJEPSA-N 1 3 333.520 2.437 20 30 EEEDHO C#CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000767926546 577547386 /nfs/dbraw/zinc/54/73/86/577547386.db2.gz LPQJQUPOFVWKLH-WOJBJXKFSA-N 1 3 328.456 2.166 20 30 EEEDHO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133659 675633869 /nfs/dbraw/zinc/63/38/69/675633869.db2.gz JWFNATMLONYXAK-OALUTQOASA-N 1 3 333.520 2.463 20 30 EEEDHO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133659 675633872 /nfs/dbraw/zinc/63/38/72/675633872.db2.gz JWFNATMLONYXAK-OALUTQOASA-N 1 3 333.520 2.463 20 30 EEEDHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688571 676738696 /nfs/dbraw/zinc/73/86/96/676738696.db2.gz YDCHBPGPJSAXDC-LJQANCHMSA-N 1 3 340.471 2.075 20 30 EEEDHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688571 676738697 /nfs/dbraw/zinc/73/86/97/676738697.db2.gz YDCHBPGPJSAXDC-LJQANCHMSA-N 1 3 340.471 2.075 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC000971734913 676766308 /nfs/dbraw/zinc/76/63/08/676766308.db2.gz IRZUKZYKGZAKDR-OALUTQOASA-N 1 3 342.487 2.177 20 30 EEEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262335229 679143256 /nfs/dbraw/zinc/14/32/56/679143256.db2.gz BRFOHGJJIZFFBI-FJIDUMEYSA-N 1 3 348.535 2.326 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@]2(C)C1 ZINC000982832418 681354095 /nfs/dbraw/zinc/35/40/95/681354095.db2.gz YSMHROZSDTXXTC-OYRHEFFESA-N 1 3 339.483 2.165 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC000982617583 681788956 /nfs/dbraw/zinc/78/89/56/681788956.db2.gz OKNSWWIWBRCXBN-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261944818 682527501 /nfs/dbraw/zinc/52/75/01/682527501.db2.gz FLUBHFLLVUZADX-LPHOPBHVSA-N 1 3 336.524 2.185 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627627 683153657 /nfs/dbraw/zinc/15/36/57/683153657.db2.gz AJQBPNDPGFWFEA-XLIONFOSSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627627 683153661 /nfs/dbraw/zinc/15/36/61/683153661.db2.gz AJQBPNDPGFWFEA-XLIONFOSSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC000979094996 694175712 /nfs/dbraw/zinc/17/57/12/694175712.db2.gz ZJGZEJSAIICTII-LDLYASANSA-N 1 3 345.531 2.062 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)CC1 ZINC000979094996 694175715 /nfs/dbraw/zinc/17/57/15/694175715.db2.gz ZJGZEJSAIICTII-LDLYASANSA-N 1 3 345.531 2.062 20 30 EEEDHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CN(C)C1CCC1 ZINC000986352094 688524223 /nfs/dbraw/zinc/52/42/23/688524223.db2.gz FTNOZZPBICCPFK-CXAGYDPISA-N 1 3 346.500 2.183 20 30 EEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2CC)CC1 ZINC001168345754 1188312387 /nfs/dbraw/zinc/31/23/87/1188312387.db2.gz SXTNHCQVBXHCNJ-HNNXBMFYSA-N 1 3 327.900 2.489 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537709 1196358081 /nfs/dbraw/zinc/35/80/81/1196358081.db2.gz NRYNYIKLIDSJLE-IBGZPJMESA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537709 1196358085 /nfs/dbraw/zinc/35/80/85/1196358085.db2.gz NRYNYIKLIDSJLE-IBGZPJMESA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518789 1199802213 /nfs/dbraw/zinc/80/22/13/1199802213.db2.gz OGHBCMAJIMBMSC-IEBWSBKVSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518789 1199802218 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C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961405716 1217177964 /nfs/dbraw/zinc/17/79/64/1217177964.db2.gz LIESLHHMMDCYER-LJQANCHMSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961405716 1217177965 /nfs/dbraw/zinc/17/79/65/1217177965.db2.gz LIESLHHMMDCYER-LJQANCHMSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961407356 1217178231 /nfs/dbraw/zinc/17/82/31/1217178231.db2.gz XFQFYWYVDRDING-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961407356 1217178232 /nfs/dbraw/zinc/17/82/32/1217178232.db2.gz XFQFYWYVDRDING-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CCF)C2)CC1 ZINC000963431626 1217624767 /nfs/dbraw/zinc/62/47/67/1217624767.db2.gz XRYPINWLZHMFQC-RBUKOAKNSA-N 1 3 349.494 2.004 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CCF)C2)CC1 ZINC000963431626 1217624769 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/nfs/dbraw/zinc/32/31/92/1318323192.db2.gz XGERVPZDNSNJAG-ACJLOTCBSA-N 1 3 345.447 2.004 20 30 EEEDHO C=CCN1CC=C(CCNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001161694423 1320590362 /nfs/dbraw/zinc/59/03/62/1320590362.db2.gz MZKSCOPSDBYTEK-UHFFFAOYSA-N 1 3 331.504 2.433 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928511 1320990316 /nfs/dbraw/zinc/99/03/16/1320990316.db2.gz JSVYKFMZAHPBBO-IBGZPJMESA-N 1 3 341.499 2.155 20 30 EEEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318787 1322350857 /nfs/dbraw/zinc/35/08/57/1322350857.db2.gz RRUBLAWOKCWTDB-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO C#CCCC[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209267656 1324878273 /nfs/dbraw/zinc/87/82/73/1324878273.db2.gz TXGDHKJYXYCGOE-UHFFFAOYSA-N 1 3 327.472 2.409 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC001335367478 1336367950 /nfs/dbraw/zinc/36/79/50/1336367950.db2.gz MTFIFMOMUOEBMH-ZWKOTPCHSA-N 1 3 348.487 2.095 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CNC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC001335367478 1336367952 /nfs/dbraw/zinc/36/79/52/1336367952.db2.gz MTFIFMOMUOEBMH-ZWKOTPCHSA-N 1 3 348.487 2.095 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595446 1397465769 /nfs/dbraw/zinc/46/57/69/1397465769.db2.gz FVZUBVVGZBJFHM-RHSMWYFYSA-N 1 3 348.516 2.336 20 30 EEEDHO C=C(Br)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001402188404 1397821816 /nfs/dbraw/zinc/82/18/16/1397821816.db2.gz GGMYREVCMRFGNP-ZFWWWQNUSA-N 1 3 346.313 2.063 20 30 EEEDHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001403407027 1399795291 /nfs/dbraw/zinc/79/52/91/1399795291.db2.gz OJFHQCJGXJYSDJ-CYBMUJFWSA-N 1 3 334.489 2.088 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001423104516 1400421667 /nfs/dbraw/zinc/42/16/67/1400421667.db2.gz NAKXOFASACUOHD-MAUKXSAKSA-N 1 3 330.476 2.081 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001100730795 762060365 /nfs/dbraw/zinc/06/03/65/762060365.db2.gz PBGZAVYIWRUEDY-QQFBHYJXSA-N 1 3 327.900 2.488 20 30 EEEDHO C=CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001075411085 759384779 /nfs/dbraw/zinc/38/47/79/759384779.db2.gz MSRHXFUGNHFPFD-ROUUACIJSA-N 1 3 349.519 2.033 20 30 EEEDHO CC#CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615801 761129880 /nfs/dbraw/zinc/12/98/80/761129880.db2.gz GSRHZXRBIGROCN-VQTJNVASSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311619 761586865 /nfs/dbraw/zinc/58/68/65/761586865.db2.gz RESZHEWFABYHOY-QRVBRYPASA-N 1 3 345.531 2.345 20 30 EEEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994270 782736762 /nfs/dbraw/zinc/73/67/62/782736762.db2.gz ZPIFYBPMHSIRQT-HBFSDRIKSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001087994270 782736767 /nfs/dbraw/zinc/73/67/67/782736767.db2.gz ZPIFYBPMHSIRQT-HBFSDRIKSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255830 774198563 /nfs/dbraw/zinc/19/85/63/774198563.db2.gz PNYWIDFGYAZWGA-HSALFYBXSA-N 1 3 343.515 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(=C)C)C[C@@H]3C2)CC1 ZINC000980255830 774198566 /nfs/dbraw/zinc/19/85/66/774198566.db2.gz PNYWIDFGYAZWGA-HSALFYBXSA-N 1 3 343.515 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(=C)Cl)C2)CC1 ZINC000981542430 777627671 /nfs/dbraw/zinc/62/76/71/777627671.db2.gz UONMIXPXYVITPX-IAGOWNOFSA-N 1 3 337.895 2.101 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@]2(C)C1 ZINC000982473650 779131491 /nfs/dbraw/zinc/13/14/91/779131491.db2.gz ZKNVJPSCQSVYJK-SESVDKBCSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC000982473650 779131497 /nfs/dbraw/zinc/13/14/97/779131497.db2.gz ZKNVJPSCQSVYJK-SESVDKBCSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946807745 783531730 /nfs/dbraw/zinc/53/17/30/783531730.db2.gz DKMRBBWQIQPDLT-CEXWTWQISA-N 1 3 331.504 2.053 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946807745 783531738 /nfs/dbraw/zinc/53/17/38/783531738.db2.gz DKMRBBWQIQPDLT-CEXWTWQISA-N 1 3 331.504 2.053 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744181 784352543 /nfs/dbraw/zinc/35/25/43/784352543.db2.gz XJUMREANHYVIKX-HUUCEWRRSA-N 1 3 348.466 2.412 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744179 784352921 /nfs/dbraw/zinc/35/29/21/784352921.db2.gz XJUMREANHYVIKX-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135980180 784905739 /nfs/dbraw/zinc/90/57/39/784905739.db2.gz MDTUYQXFSJTXPV-GJZGRUSLSA-N 1 3 348.466 2.412 20 30 EEEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299807 786233600 /nfs/dbraw/zinc/23/36/00/786233600.db2.gz DOFVMHKSOGAJJZ-KSSFIOAISA-N 1 3 325.472 2.212 20 30 EEEDHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1)N(C)C ZINC000996713255 787247860 /nfs/dbraw/zinc/24/78/60/787247860.db2.gz RKGLDXHLCKKTRS-GOSISDBHSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997431614 789902117 /nfs/dbraw/zinc/90/21/17/789902117.db2.gz QVPCTTYTKRDYEE-MRXNPFEDSA-N 1 3 327.472 2.212 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001146593103 791362310 /nfs/dbraw/zinc/36/23/10/791362310.db2.gz OANCNCJLFZTHQG-CABCVRRESA-N 1 3 348.466 2.410 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000998309017 792526062 /nfs/dbraw/zinc/52/60/62/792526062.db2.gz BTZUKMMWSFWQGI-LSDHHAIUSA-N 1 3 347.425 2.417 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055451 793424472 /nfs/dbraw/zinc/42/44/72/793424472.db2.gz CGMRRKHYUNBGRU-LPHOPBHVSA-N 1 3 327.472 2.354 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC000999347862 794338958 /nfs/dbraw/zinc/33/89/58/794338958.db2.gz MGNCAKCBJNOCNZ-CQSZACIVSA-N 1 3 346.500 2.185 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001079299534 794536709 /nfs/dbraw/zinc/53/67/09/794536709.db2.gz VZEBOLAZZNCXCK-CGTJXYLNSA-N 1 3 333.451 2.236 20 30 EEEDHO C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380329 795119348 /nfs/dbraw/zinc/11/93/48/795119348.db2.gz XTLVCPRAPIIJSW-RBUKOAKNSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380329 795119350 /nfs/dbraw/zinc/11/93/50/795119350.db2.gz XTLVCPRAPIIJSW-RBUKOAKNSA-N 1 3 345.531 2.443 20 30 EEEDHO C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108033956 796069605 /nfs/dbraw/zinc/06/96/05/796069605.db2.gz PSIZERCYSPNENR-LPHOPBHVSA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108033956 796069611 /nfs/dbraw/zinc/06/96/11/796069611.db2.gz PSIZERCYSPNENR-LPHOPBHVSA-N 1 3 339.524 2.279 20 30 EEEDHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179534954 799962417 /nfs/dbraw/zinc/96/24/17/799962417.db2.gz ZTCMKZGHEABBLG-BJLQDIEVSA-N 1 3 339.483 2.101 20 30 EEEDHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179534954 799962423 /nfs/dbraw/zinc/96/24/23/799962423.db2.gz ZTCMKZGHEABBLG-BJLQDIEVSA-N 1 3 339.483 2.101 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755389 800894187 /nfs/dbraw/zinc/89/41/87/800894187.db2.gz PEQFVULKACNQNL-ISTRZQFTSA-N 1 3 327.900 2.153 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549382 802351069 /nfs/dbraw/zinc/35/10/69/802351069.db2.gz YOERFWNGTGKMAP-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549382 802351078 /nfs/dbraw/zinc/35/10/78/802351078.db2.gz YOERFWNGTGKMAP-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004549331 802351440 /nfs/dbraw/zinc/35/14/40/802351440.db2.gz XHBXTKVIKTXQHC-HKUYNNGSSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004549331 802351450 /nfs/dbraw/zinc/35/14/50/802351450.db2.gz XHBXTKVIKTXQHC-HKUYNNGSSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004549336 802351744 /nfs/dbraw/zinc/35/17/44/802351744.db2.gz XHBXTKVIKTXQHC-PKOBYXMFSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004549336 802351756 /nfs/dbraw/zinc/35/17/56/802351756.db2.gz XHBXTKVIKTXQHC-PKOBYXMFSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131453873 812853921 /nfs/dbraw/zinc/85/39/21/812853921.db2.gz BPIUWRFNGFRFGQ-QRVBRYPASA-N 1 3 349.519 2.033 20 30 EEEDHO COc1cc(C#N)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943543 533493968 /nfs/dbraw/zinc/49/39/68/533493968.db2.gz VAAWBBZKVRPGOZ-UHFFFAOYSA-N 1 3 330.476 2.025 20 30 EEEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000279486391 267160416 /nfs/dbraw/zinc/16/04/16/267160416.db2.gz IUKSUHMUKKAICR-VQIMIIECSA-N 1 3 338.455 2.479 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000281235405 268085149 /nfs/dbraw/zinc/08/51/49/268085149.db2.gz OQVDNNUVIMCIFY-SFHVURJKSA-N 1 3 336.439 2.231 20 30 EEEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000297745347 465268020 /nfs/dbraw/zinc/26/80/20/465268020.db2.gz JYMSJDQCHUAFBN-INIZCTEOSA-N 1 3 348.516 2.139 20 30 EEEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000297745347 465268028 /nfs/dbraw/zinc/26/80/28/465268028.db2.gz JYMSJDQCHUAFBN-INIZCTEOSA-N 1 3 348.516 2.139 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877118 462649233 /nfs/dbraw/zinc/64/92/33/462649233.db2.gz GBYZBKKPDQKHID-SFHVURJKSA-N 1 3 348.535 2.400 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877118 462649238 /nfs/dbraw/zinc/64/92/38/462649238.db2.gz GBYZBKKPDQKHID-SFHVURJKSA-N 1 3 348.535 2.400 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000068085234 463090967 /nfs/dbraw/zinc/09/09/67/463090967.db2.gz IKTVZSYIXVXXAS-QZTJIDSGSA-N 1 3 333.520 2.206 20 30 EEEDHO CC(C)C[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279468325 464110434 /nfs/dbraw/zinc/11/04/34/464110434.db2.gz HHUIYSASUYFXJC-SFHVURJKSA-N 1 3 338.455 2.477 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)[nH]c2ccccc21 ZINC000264300843 464293172 /nfs/dbraw/zinc/29/31/72/464293172.db2.gz RTZJIISYJYWCEJ-OAHLLOKOSA-N 1 3 327.476 2.407 20 30 EEEDHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605892 464390844 /nfs/dbraw/zinc/39/08/44/464390844.db2.gz HEZWQDTWUATXTC-SFHVURJKSA-N 1 3 331.460 2.104 20 30 EEEDHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000264605892 464390848 /nfs/dbraw/zinc/39/08/48/464390848.db2.gz HEZWQDTWUATXTC-SFHVURJKSA-N 1 3 331.460 2.104 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677288 464519822 /nfs/dbraw/zinc/51/98/22/464519822.db2.gz IEXSWCFECOXICN-SJLPKXTDSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000181677288 464519826 /nfs/dbraw/zinc/51/98/26/464519826.db2.gz IEXSWCFECOXICN-SJLPKXTDSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000181677309 464520275 /nfs/dbraw/zinc/52/02/75/464520275.db2.gz IEXSWCFECOXICN-WMZOPIPTSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000181677309 464520281 /nfs/dbraw/zinc/52/02/81/464520281.db2.gz IEXSWCFECOXICN-WMZOPIPTSA-N 1 3 331.504 2.101 20 30 EEEDHO O=C(Nc1ccc2c(c1)CNCCO2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000329693697 465408008 /nfs/dbraw/zinc/40/80/08/465408008.db2.gz AVKSPWMBCZKZEG-UHFFFAOYSA-N 1 3 337.423 2.493 20 30 EEEDHO C[C@H]1CN(Cc2ccc(CC#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000343748069 465548924 /nfs/dbraw/zinc/54/89/24/465548924.db2.gz ZJCHXAWCJIEZCF-KRWDZBQOSA-N 1 3 326.488 2.353 20 30 EEEDHO N#CCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000424139546 466987787 /nfs/dbraw/zinc/98/77/87/466987787.db2.gz APUTXZVTFNKPTP-GOSISDBHSA-N 1 3 328.460 2.036 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C#N)CC(C)C)CC2)CC1 ZINC000594287420 468543139 /nfs/dbraw/zinc/54/31/39/468543139.db2.gz WNVQXUAUQVUFPD-KRWDZBQOSA-N 1 3 334.508 2.237 20 30 EEEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000562983996 469123779 /nfs/dbraw/zinc/12/37/79/469123779.db2.gz IKTBGQHXJNHOMN-LJQANCHMSA-N 1 3 346.471 2.259 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)C(C)C ZINC000105139762 527648199 /nfs/dbraw/zinc/64/81/99/527648199.db2.gz MHFUUBGMRADOPC-GOSISDBHSA-N 1 3 336.524 2.326 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCC)CC1 ZINC001021469422 676117717 /nfs/dbraw/zinc/11/77/17/676117717.db2.gz CKLBCRIATJVNMR-YQQQUEKLSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001021469422 676117718 /nfs/dbraw/zinc/11/77/18/676117718.db2.gz CKLBCRIATJVNMR-YQQQUEKLSA-N 1 3 331.504 2.243 20 30 EEEDHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001024999466 681698803 /nfs/dbraw/zinc/69/88/03/681698803.db2.gz WNQGEQYVFQCLRD-RTBURBONSA-N 1 3 342.487 2.369 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001029002986 682648699 /nfs/dbraw/zinc/64/86/99/682648699.db2.gz GBOOONASKMLFQJ-KRWDZBQOSA-N 1 3 333.520 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001029002986 682648701 /nfs/dbraw/zinc/64/87/01/682648701.db2.gz GBOOONASKMLFQJ-KRWDZBQOSA-N 1 3 333.520 2.206 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000262829450 688552471 /nfs/dbraw/zinc/55/24/71/688552471.db2.gz RDLNOGVOVZKFSS-TYNCELHUSA-N 1 3 340.393 2.348 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034076 1192837360 /nfs/dbraw/zinc/83/73/60/1192837360.db2.gz HMSBXOPUXYBNGW-SJLPKXTDSA-N 1 3 327.472 2.069 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105439049 1187121172 /nfs/dbraw/zinc/12/11/72/1187121172.db2.gz XFEJAJPVOMSJAF-CMKODMSKSA-N 1 3 329.488 2.319 20 30 EEEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](CC)N(C)C)CCC1 ZINC001105544161 1188157256 /nfs/dbraw/zinc/15/72/56/1188157256.db2.gz CDWUBUXMZRQHEN-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120446 1193687701 /nfs/dbraw/zinc/68/77/01/1193687701.db2.gz AXIQISRSWACGLT-KBPBESRZSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001034539258 1196363046 /nfs/dbraw/zinc/36/30/46/1196363046.db2.gz ZSVBJIAFUUIZTR-AFMYVXGZSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001034539258 1196363051 /nfs/dbraw/zinc/36/30/51/1196363051.db2.gz ZSVBJIAFUUIZTR-AFMYVXGZSA-N 1 3 345.531 2.348 20 30 EEEDHO C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001274493084 1205057398 /nfs/dbraw/zinc/05/73/98/1205057398.db2.gz ZVKXNHLUCUWVAX-HXUWFJFHSA-N 1 3 345.462 2.498 20 30 EEEDHO C=CCN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001274493084 1205057399 /nfs/dbraw/zinc/05/73/99/1205057399.db2.gz ZVKXNHLUCUWVAX-HXUWFJFHSA-N 1 3 345.462 2.498 20 30 EEEDHO C[NH+]=C(NCc1c(C)noc1C)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000155814365 1208336534 /nfs/dbraw/zinc/33/65/34/1208336534.db2.gz XRGPIJDEZAZSFH-ZDUSSCGKSA-N 1 3 335.496 2.467 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCSCc1ccccc1F ZINC000303780763 1213905288 /nfs/dbraw/zinc/90/52/88/1213905288.db2.gz LPEYDWARASYYNC-HNNXBMFYSA-N 1 3 338.496 2.448 20 30 EEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000968890535 1221649567 /nfs/dbraw/zinc/64/95/67/1221649567.db2.gz JYBKSSKDQIRKNP-OALUTQOASA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000968890535 1221649571 /nfs/dbraw/zinc/64/95/71/1221649571.db2.gz JYBKSSKDQIRKNP-OALUTQOASA-N 1 3 349.519 2.177 20 30 EEEDHO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039165894 1230388581 /nfs/dbraw/zinc/38/85/81/1230388581.db2.gz ULDPFDCMFXNMQW-GOSISDBHSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039165894 1230388585 /nfs/dbraw/zinc/38/85/85/1230388585.db2.gz ULDPFDCMFXNMQW-GOSISDBHSA-N 1 3 333.520 2.465 20 30 EEEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173471 1230399559 /nfs/dbraw/zinc/39/95/59/1230399559.db2.gz XJAFPNXOQVEHKS-IAGOWNOFSA-N 1 3 339.911 2.251 20 30 EEEDHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173471 1230399560 /nfs/dbraw/zinc/39/95/60/1230399560.db2.gz XJAFPNXOQVEHKS-IAGOWNOFSA-N 1 3 339.911 2.251 20 30 EEEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039308964 1230520028 /nfs/dbraw/zinc/52/00/28/1230520028.db2.gz AUXVTJFFHIZKHJ-IHWFROFDSA-N 1 3 339.483 2.497 20 30 EEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474308 1230638334 /nfs/dbraw/zinc/63/83/34/1230638334.db2.gz AWAIYXRIJZFHDC-CEXWTWQISA-N 1 3 331.504 2.195 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464154 1231247428 /nfs/dbraw/zinc/24/74/28/1231247428.db2.gz LYLCIGIGRCJENP-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464154 1231247429 /nfs/dbraw/zinc/24/74/29/1231247429.db2.gz LYLCIGIGRCJENP-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001042308557 1232019643 /nfs/dbraw/zinc/01/96/43/1232019643.db2.gz WMBLQNZIBDTIMS-AZUAARDMSA-N 1 3 343.515 2.055 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]21 ZINC001042368460 1232050100 /nfs/dbraw/zinc/05/01/00/1232050100.db2.gz QMEMAHAAXRLMLV-YLJYHZDGSA-N 1 3 339.483 2.308 20 30 EEEDHO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052704108 1244790630 /nfs/dbraw/zinc/79/06/30/1244790630.db2.gz ZSPNKBIXQVDUNC-MAUKXSAKSA-N 1 3 325.472 2.356 20 30 EEEDHO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052704108 1244790635 /nfs/dbraw/zinc/79/06/35/1244790635.db2.gz ZSPNKBIXQVDUNC-MAUKXSAKSA-N 1 3 325.472 2.356 20 30 EEEDHO C#CCN1CCc2c(CNC(=O)c3ccn4c[nH+]cc4c3)cccc2C1 ZINC001051293459 1245492205 /nfs/dbraw/zinc/49/22/05/1245492205.db2.gz RALCEIUMFFZFEA-UHFFFAOYSA-N 1 3 344.418 2.256 20 30 EEEDHO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053040897 1245745503 /nfs/dbraw/zinc/74/55/03/1245745503.db2.gz WRNOXTVIFAXBEN-SJORKVTESA-N 1 3 330.476 2.479 20 30 EEEDHO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053040897 1245745508 /nfs/dbraw/zinc/74/55/08/1245745508.db2.gz WRNOXTVIFAXBEN-SJORKVTESA-N 1 3 330.476 2.479 20 30 EEEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052380965 1247160877 /nfs/dbraw/zinc/16/08/77/1247160877.db2.gz GUYVRUSWUCPUDE-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052380965 1247160881 /nfs/dbraw/zinc/16/08/81/1247160881.db2.gz GUYVRUSWUCPUDE-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299273 1278317419 /nfs/dbraw/zinc/31/74/19/1278317419.db2.gz VDDVXNTVVZUKFS-QWHCGFSZSA-N 1 3 346.313 2.110 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001152330203 1284547308 /nfs/dbraw/zinc/54/73/08/1284547308.db2.gz IREDEEJAWVISPD-UHFFFAOYSA-N 1 3 349.478 2.391 20 30 EEEDHO C=C(C)CCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198985542 1285474091 /nfs/dbraw/zinc/47/40/91/1285474091.db2.gz ZPZYPWAURCQHHP-AEFFLSMTSA-N 1 3 345.487 2.360 20 30 EEEDHO C=C(C)CCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985542 1285474096 /nfs/dbraw/zinc/47/40/96/1285474096.db2.gz ZPZYPWAURCQHHP-AEFFLSMTSA-N 1 3 345.487 2.360 20 30 EEEDHO C#CCCCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219634105 1298093220 /nfs/dbraw/zinc/09/32/20/1298093220.db2.gz NYFOVQZHUJAERH-TZIWHRDSSA-N 1 3 339.483 2.018 20 30 EEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2C#N ZINC001220596939 1298469307 /nfs/dbraw/zinc/46/93/07/1298469307.db2.gz OOOQFKYXEDESPH-ZWKOTPCHSA-N 1 3 328.460 2.157 20 30 EEEDHO C=CCCCCC[C@H](N)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114351 1298664381 /nfs/dbraw/zinc/66/43/81/1298664381.db2.gz WNGYNZYBYJMCCH-KRWDZBQOSA-N 1 3 344.503 2.283 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120430923 1309533452 /nfs/dbraw/zinc/53/34/52/1309533452.db2.gz OJGPFMIGXUWYHC-ZWKOTPCHSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001120430923 1309533461 /nfs/dbraw/zinc/53/34/61/1309533461.db2.gz OJGPFMIGXUWYHC-ZWKOTPCHSA-N 1 3 333.520 2.301 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001121189513 1309946630 /nfs/dbraw/zinc/94/66/30/1309946630.db2.gz QDIDNNRYSUNCOA-LETWWHAPSA-N 1 3 345.890 2.436 20 30 EEEDHO C=CCC[C@@H](N)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247622105 1310652913 /nfs/dbraw/zinc/65/29/13/1310652913.db2.gz FYEFOEHHJMVLLL-QGZVFWFLSA-N 1 3 341.459 2.450 20 30 EEEDHO C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847708 1316065787 /nfs/dbraw/zinc/06/57/87/1316065787.db2.gz HVXYRAFTEOJSTK-IAGOWNOFSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001149847708 1316065791 /nfs/dbraw/zinc/06/57/91/1316065791.db2.gz HVXYRAFTEOJSTK-IAGOWNOFSA-N 1 3 337.508 2.033 20 30 EEEDHO C#CCCC1(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N=N1 ZINC001252951465 1317739173 /nfs/dbraw/zinc/73/91/73/1317739173.db2.gz NLAJMEQJDKMFHB-GOSISDBHSA-N 1 3 326.444 2.179 20 30 EEEDHO C#CCCC1(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)N=N1 ZINC001252951465 1317739178 /nfs/dbraw/zinc/73/91/78/1317739178.db2.gz NLAJMEQJDKMFHB-GOSISDBHSA-N 1 3 326.444 2.179 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156199685 1317917100 /nfs/dbraw/zinc/91/71/00/1317917100.db2.gz FFZYMFPMXSHLJT-MRXNPFEDSA-N 1 3 330.476 2.227 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156199685 1317917106 /nfs/dbraw/zinc/91/71/06/1317917106.db2.gz FFZYMFPMXSHLJT-MRXNPFEDSA-N 1 3 330.476 2.227 20 30 EEEDHO CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)N1CCCCC1 ZINC001158072818 1318995481 /nfs/dbraw/zinc/99/54/81/1318995481.db2.gz DNSAIRBOMAEWAY-UHFFFAOYSA-N 1 3 342.487 2.419 20 30 EEEDHO CC#CCNCCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162983045 1321005072 /nfs/dbraw/zinc/00/50/72/1321005072.db2.gz XPUJBFXPCUIYDW-UHFFFAOYSA-N 1 3 343.515 2.403 20 30 EEEDHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC001205502148 1323166516 /nfs/dbraw/zinc/16/65/16/1323166516.db2.gz HUEQBKLOASATGE-UHFFFAOYSA-N 1 3 330.451 2.157 20 30 EEEDHO C=CCc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[O-] ZINC001138627282 1372405050 /nfs/dbraw/zinc/40/50/50/1372405050.db2.gz BQQQUJRMFCWQGW-RBUKOAKNSA-N 1 3 329.488 2.331 20 30 EEEDHO C=CCc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[O-] ZINC001138627282 1372405054 /nfs/dbraw/zinc/40/50/54/1372405054.db2.gz BQQQUJRMFCWQGW-RBUKOAKNSA-N 1 3 329.488 2.331 20 30 EEEDHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1)N(C)C ZINC001378707648 1380160862 /nfs/dbraw/zinc/16/08/62/1380160862.db2.gz DZRBOESWUWZGFP-INIZCTEOSA-N 1 3 348.516 2.479 20 30 EEEDHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1)N(C)C ZINC001379905670 1380940000 /nfs/dbraw/zinc/94/00/00/1380940000.db2.gz BAHQFMXKQWAZQC-SJORKVTESA-N 1 3 348.516 2.190 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001393605368 1390489850 /nfs/dbraw/zinc/48/98/50/1390489850.db2.gz WPNPEOZCKYGOQC-LJQANCHMSA-N 1 3 342.487 2.371 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001393605368 1390489852 /nfs/dbraw/zinc/48/98/52/1390489852.db2.gz WPNPEOZCKYGOQC-LJQANCHMSA-N 1 3 342.487 2.371 20 30 EEEDHO C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001755445749 1407459931 /nfs/dbraw/zinc/45/99/31/1407459931.db2.gz QEOCZLKHFSBSBR-SJORKVTESA-N 1 3 339.524 2.136 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(C)C3)[C@@H]2CC)CC1 ZINC001087839928 782347611 /nfs/dbraw/zinc/34/76/11/782347611.db2.gz APMCXMULKIBNCH-ZYKFHVCXSA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)C3)[C@@H]2CC)CC1 ZINC001087839928 782347619 /nfs/dbraw/zinc/34/76/19/782347619.db2.gz APMCXMULKIBNCH-ZYKFHVCXSA-N 1 3 345.531 2.347 20 30 EEEDHO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458663 760849265 /nfs/dbraw/zinc/84/92/65/760849265.db2.gz MNTAUICXOUIHGZ-INIZCTEOSA-N 1 3 330.476 2.479 20 30 EEEDHO C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458663 760849277 /nfs/dbraw/zinc/84/92/77/760849277.db2.gz MNTAUICXOUIHGZ-INIZCTEOSA-N 1 3 330.476 2.479 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473060 769617176 /nfs/dbraw/zinc/61/71/76/769617176.db2.gz QSMKNSLHIILPLL-ROUUACIJSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473060 769617182 /nfs/dbraw/zinc/61/71/82/769617182.db2.gz QSMKNSLHIILPLL-ROUUACIJSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979715793 770939556 /nfs/dbraw/zinc/93/95/56/770939556.db2.gz RXSKNNYOTVBTOA-GBESFXJTSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979715793 770939566 /nfs/dbraw/zinc/93/95/66/770939566.db2.gz RXSKNNYOTVBTOA-GBESFXJTSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210394 783061349 /nfs/dbraw/zinc/06/13/49/783061349.db2.gz JNZKLYWLFHTPEA-UXHICEINSA-N 1 3 339.483 2.165 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210394 783061353 /nfs/dbraw/zinc/06/13/53/783061353.db2.gz JNZKLYWLFHTPEA-UXHICEINSA-N 1 3 339.483 2.165 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997587552 790356766 /nfs/dbraw/zinc/35/67/66/790356766.db2.gz VEUGRXWVHQONHV-HKUYNNGSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997587552 790356780 /nfs/dbraw/zinc/35/67/80/790356780.db2.gz VEUGRXWVHQONHV-HKUYNNGSSA-N 1 3 345.531 2.491 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744182 784352375 /nfs/dbraw/zinc/35/23/75/784352375.db2.gz XJUMREANHYVIKX-LSDHHAIUSA-N 1 3 348.466 2.412 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035720595 785014969 /nfs/dbraw/zinc/01/49/69/785014969.db2.gz LBKJKGCSAVFJKA-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720595 785014978 /nfs/dbraw/zinc/01/49/78/785014978.db2.gz LBKJKGCSAVFJKA-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996728491 787318112 /nfs/dbraw/zinc/31/81/12/787318112.db2.gz KHSYWFATZQOYNN-IBGZPJMESA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997168146 789316639 /nfs/dbraw/zinc/31/66/39/789316639.db2.gz CHGHCRDMSKJJAU-QGZVFWFLSA-N 1 3 331.504 2.102 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267488 790223764 /nfs/dbraw/zinc/22/37/64/790223764.db2.gz NDTIMGULEJYQAL-GPANFISMSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001091267488 790223771 /nfs/dbraw/zinc/22/37/71/790223771.db2.gz NDTIMGULEJYQAL-GPANFISMSA-N 1 3 327.900 2.486 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591913 791360557 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345.462 2.236 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086533312 806351265 /nfs/dbraw/zinc/35/12/65/806351265.db2.gz GAQABJVSTLVGHZ-KLHDSHLOSA-N 1 3 327.900 2.344 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(C)(C)C)CC1 ZINC001032800297 796412268 /nfs/dbraw/zinc/41/22/68/796412268.db2.gz GHYUALZLVOMJHY-ROUUACIJSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)CC1 ZINC001032800297 796412271 /nfs/dbraw/zinc/41/22/71/796412271.db2.gz GHYUALZLVOMJHY-ROUUACIJSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1c1ccccc1 ZINC001081231840 796702124 /nfs/dbraw/zinc/70/21/24/796702124.db2.gz QOXQCXRHRUTUQM-ZCNNSNEGSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820728 797027214 /nfs/dbraw/zinc/02/72/14/797027214.db2.gz ZHJQTTQWGROALI-MOPGFXCFSA-N 1 3 343.515 2.149 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015704506 797388932 /nfs/dbraw/zinc/38/89/32/797388932.db2.gz AEYIEFGRNHZDMV-QAPCUYQASA-N 1 3 325.472 2.356 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015704506 797388939 /nfs/dbraw/zinc/38/89/39/797388939.db2.gz AEYIEFGRNHZDMV-QAPCUYQASA-N 1 3 325.472 2.356 20 30 EEEDHO C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048719 798447446 /nfs/dbraw/zinc/44/74/46/798447446.db2.gz BWBLKNCBTWCDAG-PKOBYXMFSA-N 1 3 349.519 2.177 20 30 EEEDHO CC(C)[C@H](C(=O)NCCCNCc1ccccc1C#N)[NH+]1CCCC1 ZINC001176999439 798688255 /nfs/dbraw/zinc/68/82/55/798688255.db2.gz WHLNPLOPGMKLRB-LJQANCHMSA-N 1 3 342.487 2.275 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001179987355 800200422 /nfs/dbraw/zinc/20/04/22/800200422.db2.gz RXJYNXDCNHFQIK-BBRMVZONSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004585743 802424699 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2.227 20 30 EEEDHO C=C(Br)CNC1CC(N(C)C(=O)CC[N@@H+](C)CCC)C1 ZINC001508145650 1115427624 /nfs/dbraw/zinc/42/76/24/1115427624.db2.gz PBDHYNXUDYKKBU-UHFFFAOYSA-N 1 3 346.313 2.206 20 30 EEEDHO C=C(Br)CNC1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001508145650 1115427626 /nfs/dbraw/zinc/42/76/26/1115427626.db2.gz PBDHYNXUDYKKBU-UHFFFAOYSA-N 1 3 346.313 2.206 20 30 EEEDHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279502418 267155114 /nfs/dbraw/zinc/15/51/14/267155114.db2.gz KCZGEHMVAMDTQO-MDZRGWNJSA-N 1 3 338.455 2.477 20 30 EEEDHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279502418 267155117 /nfs/dbraw/zinc/15/51/17/267155117.db2.gz KCZGEHMVAMDTQO-MDZRGWNJSA-N 1 3 338.455 2.477 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000070825589 463387297 /nfs/dbraw/zinc/38/72/97/463387297.db2.gz HBFDFPBHCYPUIK-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261937464 463905769 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CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171599 1247596909 /nfs/dbraw/zinc/59/69/09/1247596909.db2.gz VAOGBCDSHZUKGM-PZJWPPBQSA-N 1 3 343.515 2.199 20 30 EEEDHO C=CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552900 1258201422 /nfs/dbraw/zinc/20/14/22/1258201422.db2.gz QDWYCDWVLUXTJA-OKYOBFRVSA-N 1 3 333.520 2.462 20 30 EEEDHO C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099552900 1258201426 /nfs/dbraw/zinc/20/14/26/1258201426.db2.gz QDWYCDWVLUXTJA-OKYOBFRVSA-N 1 3 333.520 2.462 20 30 EEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCCO1 ZINC001201411431 1289559502 /nfs/dbraw/zinc/55/95/02/1289559502.db2.gz QGSXRJIRUAPIPD-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO C#CCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095260 1295236021 /nfs/dbraw/zinc/23/60/21/1295236021.db2.gz GXDHCWNOPNLAFE-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001072095260 1295236027 /nfs/dbraw/zinc/23/60/27/1295236027.db2.gz GXDHCWNOPNLAFE-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO CCOCCC[N@@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166251 1297046373 /nfs/dbraw/zinc/04/63/73/1297046373.db2.gz UTXLVGIWHMEZIJ-WMZOPIPTSA-N 1 3 345.491 2.092 20 30 EEEDHO CCOCCC[N@H+]1CC[C@H](NCCNc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000927166251 1297046387 /nfs/dbraw/zinc/04/63/87/1297046387.db2.gz UTXLVGIWHMEZIJ-WMZOPIPTSA-N 1 3 345.491 2.092 20 30 EEEDHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001225228562 1300935395 /nfs/dbraw/zinc/93/53/95/1300935395.db2.gz QPELTXCYSGBFOI-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H](C)F)CC1 ZINC001230251719 1303127643 /nfs/dbraw/zinc/12/76/43/1303127643.db2.gz GDCLKXWHZRPNEU-KBAYOESNSA-N 1 3 337.483 2.097 20 30 EEEDHO COC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3CCC(C#N)CC3)CC2)C1 ZINC001256971684 1318907395 /nfs/dbraw/zinc/90/73/95/1318907395.db2.gz LKORYDUXPXCFRT-AQFXKWCLSA-N 1 3 333.476 2.418 20 30 EEEDHO COC(=O)[C@@H]1CCC[N@H+](C2CCN(C3CCC(C#N)CC3)CC2)C1 ZINC001256971684 1318907402 /nfs/dbraw/zinc/90/74/02/1318907402.db2.gz LKORYDUXPXCFRT-AQFXKWCLSA-N 1 3 333.476 2.418 20 30 EEEDHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1)N(C)C ZINC001165728387 1321574058 /nfs/dbraw/zinc/57/40/58/1321574058.db2.gz QONLTRARRQJKNB-MRXNPFEDSA-N 1 3 348.516 2.336 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CCC(=C)C)C23CCC3)CC1 ZINC001203773318 1321958515 /nfs/dbraw/zinc/95/85/15/1321958515.db2.gz VIVGLYNNMJHCSX-RBUKOAKNSA-N 1 3 343.515 2.315 20 30 EEEDHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001206890297 1323673125 /nfs/dbraw/zinc/67/31/25/1323673125.db2.gz KIUWZCAEOOFDAH-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001121727855 1371919974 /nfs/dbraw/zinc/91/99/74/1371919974.db2.gz JRFXVNMJKXMQHS-UKEPKTAJSA-N 1 3 327.900 2.342 20 30 EEEDHO C#CCN(C)CCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000838623972 1372857685 /nfs/dbraw/zinc/85/76/85/1372857685.db2.gz ZRIOWQRHMHNSPD-UHFFFAOYSA-N 1 3 336.524 2.285 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001376555701 1378593315 /nfs/dbraw/zinc/59/33/15/1378593315.db2.gz HZSWXRAIGUTYPO-QGZVFWFLSA-N 1 3 342.487 2.228 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001376555701 1378593316 /nfs/dbraw/zinc/59/33/16/1378593316.db2.gz HZSWXRAIGUTYPO-QGZVFWFLSA-N 1 3 342.487 2.228 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001752921294 1406548539 /nfs/dbraw/zinc/54/85/39/1406548539.db2.gz PJNQJLBIEOWDHS-IAGOWNOFSA-N 1 3 327.472 2.187 20 30 EEEDHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001402434288 1397999300 /nfs/dbraw/zinc/99/93/00/1397999300.db2.gz GELWDMTYJKSVDG-MUJYYYPQSA-N 1 3 327.900 2.440 20 30 EEEDHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccc(C#N)cc1 ZINC001422524004 1399983893 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C[NH+](C)CC1(C(=O)NCCNCc2ccc(C#N)s2)CCCCC1 ZINC001131794303 783227064 /nfs/dbraw/zinc/22/70/64/783227064.db2.gz RWNRUIBJXIZHLA-UHFFFAOYSA-N 1 3 348.516 2.338 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CCC3)C2)CC1 ZINC000981539896 777624106 /nfs/dbraw/zinc/62/41/06/777624106.db2.gz ANHCFXPVWVEYRL-OALUTQOASA-N 1 3 331.504 2.149 20 30 EEEDHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)N(C)C ZINC000995950441 785847433 /nfs/dbraw/zinc/84/74/33/785847433.db2.gz NSQWJBICTQLRGK-MSOLQXFVSA-N 1 3 342.487 2.225 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171161901 789574263 /nfs/dbraw/zinc/57/42/63/789574263.db2.gz RDRPXNGXBNZWMP-ZIAGYGMSSA-N 1 3 346.313 2.111 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091065363 789687027 /nfs/dbraw/zinc/68/70/27/789687027.db2.gz BDDKMSBPXZGNMX-PCKAHOCUSA-N 1 3 327.900 2.201 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001091065363 789687033 /nfs/dbraw/zinc/68/70/33/789687033.db2.gz BDDKMSBPXZGNMX-PCKAHOCUSA-N 1 3 327.900 2.201 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001091267489 790223665 /nfs/dbraw/zinc/22/36/65/790223665.db2.gz NDTIMGULEJYQAL-UYSNPLJNSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001091267489 790223672 /nfs/dbraw/zinc/22/36/72/790223672.db2.gz NDTIMGULEJYQAL-UYSNPLJNSA-N 1 3 327.900 2.486 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001146595003 791366540 /nfs/dbraw/zinc/36/65/40/791366540.db2.gz WDBKYERTUJXSOI-ZIAGYGMSSA-N 1 3 336.505 2.333 20 30 EEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998103156 791971153 /nfs/dbraw/zinc/97/11/53/791971153.db2.gz PHXJRNZYMMRJJD-RBUKOAKNSA-N 1 3 333.520 2.445 20 30 EEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998103156 791971164 /nfs/dbraw/zinc/97/11/64/791971164.db2.gz PHXJRNZYMMRJJD-RBUKOAKNSA-N 1 3 333.520 2.445 20 30 EEEDHO C=CC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998266059 792395800 /nfs/dbraw/zinc/39/58/00/792395800.db2.gz HIRIBUPZWSZVCS-OLZOCXBDSA-N 1 3 333.398 2.026 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C(F)(F)F ZINC000998318533 792570417 /nfs/dbraw/zinc/57/04/17/792570417.db2.gz ZUZBJRMETRAJGX-LSDHHAIUSA-N 1 3 347.425 2.273 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169335 793923818 /nfs/dbraw/zinc/92/38/18/793923818.db2.gz PDSKXZNDUCTRKO-GPANFISMSA-N 1 3 325.884 2.192 20 30 EEEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001112540206 794075244 /nfs/dbraw/zinc/07/52/44/794075244.db2.gz KZUGQRGHAYEEBM-ZJOUEHCJSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509191 794451681 /nfs/dbraw/zinc/45/16/81/794451681.db2.gz MYAKMUREFZVPQY-CTNGQTDRSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509191 794451686 /nfs/dbraw/zinc/45/16/86/794451686.db2.gz MYAKMUREFZVPQY-CTNGQTDRSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902499 796440191 /nfs/dbraw/zinc/44/01/91/796440191.db2.gz LLWYTPJILQQRMG-PMACEKPBSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902499 796440196 /nfs/dbraw/zinc/44/01/96/796440196.db2.gz LLWYTPJILQQRMG-PMACEKPBSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115781 796657032 /nfs/dbraw/zinc/65/70/32/796657032.db2.gz NVOYLYIXMXRQGM-XUVXKRRUSA-N 1 3 339.483 2.077 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115781 796657036 /nfs/dbraw/zinc/65/70/36/796657036.db2.gz NVOYLYIXMXRQGM-XUVXKRRUSA-N 1 3 339.483 2.077 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001081125946 796669984 /nfs/dbraw/zinc/66/99/84/796669984.db2.gz YGKGYAUSCMEVKX-RBUKOAKNSA-N 1 3 327.472 2.241 20 30 EEEDHO C=CCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003627051 799913878 /nfs/dbraw/zinc/91/38/78/799913878.db2.gz BQBMYIKFBPPRCP-GOSISDBHSA-N 1 3 325.472 2.356 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001085203333 800238796 /nfs/dbraw/zinc/23/87/96/800238796.db2.gz DCQHDQSDYPCPAI-ZJIFWQFVSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085203333 800238799 /nfs/dbraw/zinc/23/87/99/800238799.db2.gz DCQHDQSDYPCPAI-ZJIFWQFVSA-N 1 3 327.900 2.486 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001151242276 801219820 /nfs/dbraw/zinc/21/98/20/801219820.db2.gz MZKOGJARSVNVHP-SFHVURJKSA-N 1 3 349.519 2.034 20 30 EEEDHO CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001182814432 801359534 /nfs/dbraw/zinc/35/95/34/801359534.db2.gz VJPWVPDKOIDGEW-WSTZPKSXSA-N 1 3 333.520 2.347 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 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KOOJQWHRLORSAB-IYARVYRRSA-N 1 3 342.487 2.273 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001444305694 1098862980 /nfs/dbraw/zinc/86/29/80/1098862980.db2.gz GDRYKBJPLMAXDE-LPHOPBHVSA-N 1 3 342.487 2.273 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001444305694 1098862984 /nfs/dbraw/zinc/86/29/84/1098862984.db2.gz GDRYKBJPLMAXDE-LPHOPBHVSA-N 1 3 342.487 2.273 20 30 EEEDHO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262487091 464030462 /nfs/dbraw/zinc/03/04/62/464030462.db2.gz STSHCSDDJYRGMB-IRXDYDNUSA-N 1 3 347.507 2.018 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658422 465463292 /nfs/dbraw/zinc/46/32/92/465463292.db2.gz HLAJFIPZFXGMHL-MJGOQNOKSA-N 1 3 348.535 2.469 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658422 465463295 /nfs/dbraw/zinc/46/32/95/465463295.db2.gz HLAJFIPZFXGMHL-MJGOQNOKSA-N 1 3 348.535 2.469 20 30 EEEDHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423373979 466732473 /nfs/dbraw/zinc/73/24/73/466732473.db2.gz CAJAOBKTXPUZGR-JKSUJKDBSA-N 1 3 340.393 2.435 20 30 EEEDHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2C#N)c1 ZINC000600720427 468633964 /nfs/dbraw/zinc/63/39/64/468633964.db2.gz YJMPESBMHQADKO-LJQANCHMSA-N 1 3 339.439 2.149 20 30 EEEDHO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000602844857 469113199 /nfs/dbraw/zinc/11/31/99/469113199.db2.gz GVNWWXYPKJQIKK-UHFFFAOYSA-N 1 3 349.438 2.494 20 30 EEEDHO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(c3ccncc3)CC2)cc1 ZINC000602844857 469113206 /nfs/dbraw/zinc/11/32/06/469113206.db2.gz GVNWWXYPKJQIKK-UHFFFAOYSA-N 1 3 349.438 2.494 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CCCF)CC1 ZINC000969156588 674648377 /nfs/dbraw/zinc/64/83/77/674648377.db2.gz XHFLNZUQIJNIDY-GOSISDBHSA-N 1 3 337.483 2.052 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCCF)CC1 ZINC000969156588 674648379 /nfs/dbraw/zinc/64/83/79/674648379.db2.gz XHFLNZUQIJNIDY-GOSISDBHSA-N 1 3 337.483 2.052 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=C)C)CC1 ZINC001021469720 676118619 /nfs/dbraw/zinc/11/86/19/676118619.db2.gz IGOXDHFKXPWSPE-YQQQUEKLSA-N 1 3 329.488 2.019 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)C)CC1 ZINC001021469720 676118620 /nfs/dbraw/zinc/11/86/20/676118620.db2.gz IGOXDHFKXPWSPE-YQQQUEKLSA-N 1 3 329.488 2.019 20 30 EEEDHO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972336282 678565231 /nfs/dbraw/zinc/56/52/31/678565231.db2.gz VSDKNOHKLQWNLR-MAUKXSAKSA-N 1 3 325.472 2.308 20 30 EEEDHO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972336282 678565232 /nfs/dbraw/zinc/56/52/32/678565232.db2.gz VSDKNOHKLQWNLR-MAUKXSAKSA-N 1 3 325.472 2.308 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC=C(C)C)C2)CC1 ZINC001023761819 679567337 /nfs/dbraw/zinc/56/73/37/679567337.db2.gz JXBFHUZHZVJMIO-GOSISDBHSA-N 1 3 331.504 2.126 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001023761819 679567340 /nfs/dbraw/zinc/56/73/40/679567340.db2.gz JXBFHUZHZVJMIO-GOSISDBHSA-N 1 3 331.504 2.126 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001024039249 679772697 /nfs/dbraw/zinc/77/26/97/679772697.db2.gz SFJIIHGFCUJWNP-WMLDXEAASA-N 1 3 348.516 2.288 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984800810 685276354 /nfs/dbraw/zinc/27/63/54/685276354.db2.gz TTWWLEJGASPMTR-RBSFLKMASA-N 1 3 346.500 2.088 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001101063994 1188530865 /nfs/dbraw/zinc/53/08/65/1188530865.db2.gz SJSSLOMTHHVIKE-UHFFFAOYSA-N 1 3 327.900 2.489 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001034956937 1196916979 /nfs/dbraw/zinc/91/69/79/1196916979.db2.gz GWGIAIPZPIJXNX-GOSISDBHSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@H](C[C@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001134607091 1199699033 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COc1ccc(C#N)cc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579185745 1344349277 /nfs/dbraw/zinc/34/92/77/1344349277.db2.gz MELBTUFROBWCHS-KVSKMBFKSA-N 1 3 329.444 2.285 20 30 EEEDHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001371769298 1375626332 /nfs/dbraw/zinc/62/63/32/1375626332.db2.gz JKEMJEZEJYZZAD-CQSZACIVSA-N 1 3 346.450 2.166 20 30 EEEDHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001390152086 1388463947 /nfs/dbraw/zinc/46/39/47/1388463947.db2.gz AYESTQQQXJDIAT-OAHLLOKOSA-N 1 3 348.516 2.432 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001378611862 1380104537 /nfs/dbraw/zinc/10/45/37/1380104537.db2.gz KBQVJDWQUVBCLF-KDOFPFPSSA-N 1 3 348.466 2.125 20 30 EEEDHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001397100260 1391078351 /nfs/dbraw/zinc/07/83/51/1391078351.db2.gz QWLNAJGRORIQRZ-WOVMCDHWSA-N 1 3 346.450 2.024 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001425432407 1401561331 /nfs/dbraw/zinc/56/13/31/1401561331.db2.gz IYCWJYXFVSVKOB-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001425432407 1401561333 /nfs/dbraw/zinc/56/13/33/1401561333.db2.gz IYCWJYXFVSVKOB-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001425594750 1401650067 /nfs/dbraw/zinc/65/00/67/1401650067.db2.gz NAKXOFASACUOHD-YJBOKZPZSA-N 1 3 330.476 2.081 20 30 EEEDHO C=CC1(CC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C[NH2+]C1 ZINC001574880148 1403527075 /nfs/dbraw/zinc/52/70/75/1403527075.db2.gz PAUMPTFKFVOIGH-SFHVURJKSA-N 1 3 343.471 2.114 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1ccccc1 ZINC001211625376 761219912 /nfs/dbraw/zinc/21/99/12/761219912.db2.gz CRUMBXGWCISGGL-RBUKOAKNSA-N 1 3 341.499 2.324 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC(C)(C)C1 ZINC001089457584 769411319 /nfs/dbraw/zinc/41/13/19/769411319.db2.gz BXQFSGZLABQJPP-QGZVFWFLSA-N 1 3 333.520 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AVOBTIRLTHXTIR-VJANTYMQSA-N 1 3 345.531 2.463 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCC(C)(C)C2)C1 ZINC001089858450 778465582 /nfs/dbraw/zinc/46/55/82/778465582.db2.gz AVOBTIRLTHXTIR-VJANTYMQSA-N 1 3 345.531 2.463 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@]2(C)C1 ZINC000982305994 779657701 /nfs/dbraw/zinc/65/77/01/779657701.db2.gz CLUDEUJVPXXXLL-JYRKZWEQSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@]2(C)C1 ZINC000982305994 779657707 /nfs/dbraw/zinc/65/77/07/779657707.db2.gz CLUDEUJVPXXXLL-JYRKZWEQSA-N 1 3 343.515 2.197 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135743248 784350993 /nfs/dbraw/zinc/35/09/93/784350993.db2.gz HMDVPDUQEKUIDX-GJZGRUSLSA-N 1 3 348.466 2.412 20 30 EEEDHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC000997787247 791094962 /nfs/dbraw/zinc/09/49/62/791094962.db2.gz ZSBSZCCYOZXHHT-HKUYNNGSSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566652 787672015 /nfs/dbraw/zinc/67/20/15/787672015.db2.gz DFXNXZOIWZZTJL-QWFCFKBJSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)N3CCCCCC3)CCC[C@@H]12 ZINC001107566652 787672017 /nfs/dbraw/zinc/67/20/17/787672017.db2.gz DFXNXZOIWZZTJL-QWFCFKBJSA-N 1 3 331.504 2.245 20 30 EEEDHO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946892721 789413164 /nfs/dbraw/zinc/41/31/64/789413164.db2.gz JMZOJRBMILHVSB-IYBDPMFKSA-N 1 3 325.884 2.005 20 30 EEEDHO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946892721 789413167 /nfs/dbraw/zinc/41/31/67/789413167.db2.gz JMZOJRBMILHVSB-IYBDPMFKSA-N 1 3 325.884 2.005 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997192044 789416096 /nfs/dbraw/zinc/41/60/96/789416096.db2.gz UMKZBDQLBVJGBY-IEBWSBKVSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997192044 789416100 /nfs/dbraw/zinc/41/61/00/789416100.db2.gz UMKZBDQLBVJGBY-IEBWSBKVSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000997387349 789878931 /nfs/dbraw/zinc/87/89/31/789878931.db2.gz LGOVYARUSDDJNS-QGZVFWFLSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927045 793006306 /nfs/dbraw/zinc/00/63/06/793006306.db2.gz QPYCHINFBPXELI-QGZVFWFLSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947723 793452531 /nfs/dbraw/zinc/45/25/31/793452531.db2.gz MHILQRMLPLDQRK-LMNJBCLMSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091947723 793452537 /nfs/dbraw/zinc/45/25/37/793452537.db2.gz MHILQRMLPLDQRK-LMNJBCLMSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224226 794879021 /nfs/dbraw/zinc/87/90/21/794879021.db2.gz OETPCADNPLHHSA-SJLPKXTDSA-N 1 3 327.472 2.069 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224226 794879028 /nfs/dbraw/zinc/87/90/28/794879028.db2.gz OETPCADNPLHHSA-SJLPKXTDSA-N 1 3 327.472 2.069 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414059 796201616 /nfs/dbraw/zinc/20/16/16/796201616.db2.gz RDKRUCMUWNGRNL-QWFCFKBJSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094414059 796201617 /nfs/dbraw/zinc/20/16/17/796201617.db2.gz RDKRUCMUWNGRNL-QWFCFKBJSA-N 1 3 331.504 2.243 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001082743046 797675893 /nfs/dbraw/zinc/67/58/93/797675893.db2.gz DTLLOEPNKZLFFH-IIDMSEBBSA-N 1 3 325.472 2.212 20 30 EEEDHO C=C(Br)CNCCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176309714 798426637 /nfs/dbraw/zinc/42/66/37/798426637.db2.gz WWTXNKGJQBTKBM-UHFFFAOYSA-N 1 3 346.313 2.257 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085200257 800237416 /nfs/dbraw/zinc/23/74/16/800237416.db2.gz AOJGMCMLZZMEBV-BZUAXINKSA-N 1 3 325.884 2.098 20 30 EEEDHO CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184411605 802023728 /nfs/dbraw/zinc/02/37/28/802023728.db2.gz FLJAJNCTKFVDCB-MSOLQXFVSA-N 1 3 333.520 2.348 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086413320 802915349 /nfs/dbraw/zinc/91/53/49/802915349.db2.gz CKELADGTRBTSEA-JYJNAYRXSA-N 1 3 327.900 2.344 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086413320 802915356 /nfs/dbraw/zinc/91/53/56/802915356.db2.gz CKELADGTRBTSEA-JYJNAYRXSA-N 1 3 327.900 2.344 20 30 EEEDHO C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001131512081 812929552 /nfs/dbraw/zinc/92/95/52/812929552.db2.gz MLXILWNWNICNOO-MSOLQXFVSA-N 1 3 349.519 2.033 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CC[C@](C)(CNCc2ccccc2C#N)C1 ZINC001439880366 1092929229 /nfs/dbraw/zinc/92/92/29/1092929229.db2.gz AZMXXWHUURWXHN-HXUWFJFHSA-N 1 3 342.487 2.228 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001440315673 1093449324 /nfs/dbraw/zinc/44/93/24/1093449324.db2.gz WZCJUWZCVBLBNJ-IYBDPMFKSA-N 1 3 327.900 2.489 20 30 EEEDHO CN(C(=O)CCC[NH+](C)C)C1CC(NCc2cc(C#N)ccc2F)C1 ZINC001442256484 1096558107 /nfs/dbraw/zinc/55/81/07/1096558107.db2.gz VEMYZKJFSPBIGI-UHFFFAOYSA-N 1 3 346.450 2.118 20 30 EEEDHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC001447635294 1103005382 /nfs/dbraw/zinc/00/53/82/1103005382.db2.gz MZRUXEPLZGEJPA-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001507129885 1115124072 /nfs/dbraw/zinc/12/40/72/1115124072.db2.gz YWXHOXWJFOBZDS-INIZCTEOSA-N 1 3 344.503 2.473 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)CC1 ZINC000491392450 246015922 /nfs/dbraw/zinc/01/59/22/246015922.db2.gz CBUSTCRSMXAFFO-GOSISDBHSA-N 1 3 341.455 2.356 20 30 EEEDHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000056523520 463407476 /nfs/dbraw/zinc/40/74/76/463407476.db2.gz NDYAKIUPTNVSKO-IBGZPJMESA-N 1 3 345.487 2.156 20 30 EEEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166471041 463656201 /nfs/dbraw/zinc/65/62/01/463656201.db2.gz MUZUICVKQZYMIJ-QZTJIDSGSA-N 1 3 325.460 2.138 20 30 EEEDHO N#Cc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166471041 463656207 /nfs/dbraw/zinc/65/62/07/463656207.db2.gz MUZUICVKQZYMIJ-QZTJIDSGSA-N 1 3 325.460 2.138 20 30 EEEDHO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)nc1 ZINC000166471041 463656208 /nfs/dbraw/zinc/65/62/08/463656208.db2.gz MUZUICVKQZYMIJ-QZTJIDSGSA-N 1 3 325.460 2.138 20 30 EEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628275 463686207 /nfs/dbraw/zinc/68/62/07/463686207.db2.gz CEARHLXILFDEGM-LJQANCHMSA-N 1 3 342.487 2.241 20 30 EEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628275 463686210 /nfs/dbraw/zinc/68/62/10/463686210.db2.gz CEARHLXILFDEGM-LJQANCHMSA-N 1 3 342.487 2.241 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000171554593 463882527 /nfs/dbraw/zinc/88/25/27/463882527.db2.gz FZKCNHDUQZFONM-UHFFFAOYSA-N 1 3 334.508 2.201 20 30 EEEDHO CC(C)[NH+](CCNC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)C ZINC000280921106 464275920 /nfs/dbraw/zinc/27/59/20/464275920.db2.gz VFHSRYHOMMFALE-SFHVURJKSA-N 1 3 326.444 2.476 20 30 EEEDHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)Nc1ccccc1 ZINC000264067185 464278440 /nfs/dbraw/zinc/27/84/40/464278440.db2.gz BSIKPGJSPXDSHT-UHFFFAOYSA-N 1 3 338.459 2.021 20 30 EEEDHO C#CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282234092 464746241 /nfs/dbraw/zinc/74/62/41/464746241.db2.gz FSZWKJYWPMYURL-UHFFFAOYSA-N 1 3 329.488 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000369709538 466746502 /nfs/dbraw/zinc/74/65/02/466746502.db2.gz FFTSYYFHBAOERF-FQEVSTJZSA-N 1 3 339.483 2.065 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000417518813 466875074 /nfs/dbraw/zinc/87/50/74/466875074.db2.gz DDOLDROGZCPSJV-UHFFFAOYSA-N 1 3 334.508 2.202 20 30 EEEDHO C#CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370707525 466973791 /nfs/dbraw/zinc/97/37/91/466973791.db2.gz FEILNLVVKOPCBP-NQIIRXRSSA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000370707525 466973795 /nfs/dbraw/zinc/97/37/95/466973795.db2.gz FEILNLVVKOPCBP-NQIIRXRSSA-N 1 3 341.499 2.156 20 30 EEEDHO N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000424142787 466989412 /nfs/dbraw/zinc/98/94/12/466989412.db2.gz FGQRPCSQFWNBRM-ROUUACIJSA-N 1 3 328.460 2.178 20 30 EEEDHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424156790 466993490 /nfs/dbraw/zinc/99/34/90/466993490.db2.gz QCAFSFYDHGFWSP-QAPCUYQASA-N 1 3 344.459 2.367 20 30 EEEDHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)C1 ZINC000424156790 466993491 /nfs/dbraw/zinc/99/34/91/466993491.db2.gz QCAFSFYDHGFWSP-QAPCUYQASA-N 1 3 344.459 2.367 20 30 EEEDHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528370517 467682269 /nfs/dbraw/zinc/68/22/69/467682269.db2.gz DUOLYYSXIDXCQA-IBGZPJMESA-N 1 3 345.487 2.350 20 30 EEEDHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528370517 467682275 /nfs/dbraw/zinc/68/22/75/467682275.db2.gz DUOLYYSXIDXCQA-IBGZPJMESA-N 1 3 345.487 2.350 20 30 EEEDHO N#C[C@@H]1CC[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693901 468170142 /nfs/dbraw/zinc/17/01/42/468170142.db2.gz MLVSAZSSEVMPSL-MNEFBYGVSA-N 1 3 340.471 2.166 20 30 EEEDHO N#C[C@@H]1CC[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000576693901 468170146 /nfs/dbraw/zinc/17/01/46/468170146.db2.gz MLVSAZSSEVMPSL-MNEFBYGVSA-N 1 3 340.471 2.166 20 30 EEEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600721429 468633825 /nfs/dbraw/zinc/63/38/25/468633825.db2.gz MGGXJLUHPCDAGK-WMZOPIPTSA-N 1 3 331.460 2.008 20 30 EEEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600721422 468634403 /nfs/dbraw/zinc/63/44/03/468634403.db2.gz MGGXJLUHPCDAGK-AEFFLSMTSA-N 1 3 331.460 2.008 20 30 EEEDHO C=C(C)C[NH+]1CCC(NC[C@H](O)COc2cccc(C(C)=O)c2)CC1 ZINC000562983991 469123129 /nfs/dbraw/zinc/12/31/29/469123129.db2.gz IKTBGQHXJNHOMN-IBGZPJMESA-N 1 3 346.471 2.259 20 30 EEEDHO C=C(C)CN1CCC([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634702350 470281772 /nfs/dbraw/zinc/28/17/72/470281772.db2.gz FSEYVUIIPMUMFC-OAQYLSRUSA-N 1 3 343.515 2.254 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000106334055 526591030 /nfs/dbraw/zinc/59/10/30/526591030.db2.gz ZZBUZYUZXWRLGC-KRWDZBQOSA-N 1 3 336.524 2.448 20 30 EEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326655 675790313 /nfs/dbraw/zinc/79/03/13/675790313.db2.gz UVTVVHBTTGCPOD-VQIMIIECSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326655 675790315 /nfs/dbraw/zinc/79/03/15/675790315.db2.gz UVTVVHBTTGCPOD-VQIMIIECSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671659 676327033 /nfs/dbraw/zinc/32/70/33/676327033.db2.gz UWLLKQPNLMRTHQ-ROUUACIJSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671659 676327034 /nfs/dbraw/zinc/32/70/34/676327034.db2.gz UWLLKQPNLMRTHQ-ROUUACIJSA-N 1 3 331.504 2.055 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000971736807 676768399 /nfs/dbraw/zinc/76/83/99/676768399.db2.gz SMCUTHZSEVARAK-OALUTQOASA-N 1 3 342.487 2.177 20 30 EEEDHO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC001024478528 679951479 /nfs/dbraw/zinc/95/14/79/679951479.db2.gz SPRVEURRMPQDSJ-MOPGFXCFSA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC001024478528 679951482 /nfs/dbraw/zinc/95/14/82/679951482.db2.gz SPRVEURRMPQDSJ-MOPGFXCFSA-N 1 3 349.519 2.177 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)c3ccccc3C[NH+](C)C)C[C@]2(C)C1 ZINC000982831684 681353042 /nfs/dbraw/zinc/35/30/42/681353042.db2.gz PWLFLAXVPOGWKP-OYRHEFFESA-N 1 3 339.483 2.165 20 30 EEEDHO Cc1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)on1 ZINC000261989356 682746602 /nfs/dbraw/zinc/74/66/02/682746602.db2.gz LCFNOVFYJKYPJV-UHFFFAOYSA-N 1 3 327.432 2.052 20 30 EEEDHO C[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793325 687704879 /nfs/dbraw/zinc/70/48/79/687704879.db2.gz QTVVOBGQWLBDON-UHFFFAOYSA-N 1 3 340.471 2.077 20 30 EEEDHO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793325 687704881 /nfs/dbraw/zinc/70/48/81/687704881.db2.gz QTVVOBGQWLBDON-UHFFFAOYSA-N 1 3 340.471 2.077 20 30 EEEDHO C[NH+]=C(NCc1c(C)nn(C)c1C)NCC1(N(C)C)CCCCCC1 ZINC000262826871 688545988 /nfs/dbraw/zinc/54/59/88/688545988.db2.gz QQEDMQQWCZTFAB-UHFFFAOYSA-N 1 3 348.539 2.357 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C[C@@H]2C)CC1 ZINC000989829354 692355481 /nfs/dbraw/zinc/35/54/81/692355481.db2.gz RTYKDOHHLYUFKP-YJBOKZPZSA-N 1 3 345.512 2.172 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635910 692847214 /nfs/dbraw/zinc/84/72/14/692847214.db2.gz BFOFSVHYMULJPI-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635910 692847220 /nfs/dbraw/zinc/84/72/20/692847220.db2.gz BFOFSVHYMULJPI-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CN(CC)CC)CCO2 ZINC001105483997 1188100825 /nfs/dbraw/zinc/10/08/25/1188100825.db2.gz RHLFSEAZEFKWOI-UHFFFAOYSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCCCC)CC2)CC1 ZINC001168320867 1188290242 /nfs/dbraw/zinc/29/02/42/1188290242.db2.gz UPVFCMSUBUTNAA-UHFFFAOYSA-N 1 3 333.520 2.398 20 30 EEEDHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(CCCC#N)C2=O)CC1 ZINC001272870641 1193586483 /nfs/dbraw/zinc/58/64/83/1193586483.db2.gz RUEQLMMEOLGXDM-UHFFFAOYSA-N 1 3 334.508 2.192 20 30 EEEDHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001485882001 1193628136 /nfs/dbraw/zinc/62/81/36/1193628136.db2.gz NHHYOWCUPCLIFZ-CYBMUJFWSA-N 1 3 334.489 2.041 20 30 EEEDHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC#Cc1cccc(Cl)c1 ZINC001483943304 1191126082 /nfs/dbraw/zinc/12/60/82/1191126082.db2.gz SZRUVVXEYKXSQP-GOSISDBHSA-N 1 3 347.890 2.224 20 30 EEEDHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cccc(C#N)n3)C2)C1 ZINC001275605084 1205440460 /nfs/dbraw/zinc/44/04/60/1205440460.db2.gz DVNCWTZNHKSAMG-HXUWFJFHSA-N 1 3 341.503 2.193 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Br ZINC000303771055 1213903924 /nfs/dbraw/zinc/90/39/24/1213903924.db2.gz CHQIOFVLPWEOBM-CYBMUJFWSA-N 1 3 339.281 2.338 20 30 EEEDHO CCN(CCCNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1 ZINC000303771912 1213904068 /nfs/dbraw/zinc/90/40/68/1213904068.db2.gz CZOBBXQJKSCYGC-GOSISDBHSA-N 1 3 331.508 2.292 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000960485245 1216620023 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GFGICTPXYGCLDC-IEBWSBKVSA-N 1 3 333.520 2.465 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384293 1217580762 /nfs/dbraw/zinc/58/07/62/1217580762.db2.gz SSEDBMYZBYUWGF-UXHICEINSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384293 1217580764 /nfs/dbraw/zinc/58/07/64/1217580764.db2.gz SSEDBMYZBYUWGF-UXHICEINSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384103 1217580787 /nfs/dbraw/zinc/58/07/87/1217580787.db2.gz QIBBAAJMLJJAML-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384103 1217580790 /nfs/dbraw/zinc/58/07/90/1217580790.db2.gz QIBBAAJMLJJAML-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016818081 1226901355 /nfs/dbraw/zinc/90/13/55/1226901355.db2.gz BHIAMOKWMODRDG-OXQOHEQNSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC2CCCC2)CC1 ZINC001039042179 1230258318 /nfs/dbraw/zinc/25/83/18/1230258318.db2.gz MYARGYNPFKNYRX-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCC2)CC1 ZINC001039042179 1230258321 /nfs/dbraw/zinc/25/83/21/1230258321.db2.gz MYARGYNPFKNYRX-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163391 1230384490 /nfs/dbraw/zinc/38/44/90/1230384490.db2.gz BQXKYRZGNPXVCR-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039163391 1230384492 /nfs/dbraw/zinc/38/44/92/1230384492.db2.gz BQXKYRZGNPXVCR-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040277253 1231148239 /nfs/dbraw/zinc/14/82/39/1231148239.db2.gz ZJOHMDYJAOLRKV-CTNGQTDRSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040277253 1231148242 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2.440 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999278303 794200811 /nfs/dbraw/zinc/20/08/11/794200811.db2.gz IMMYPXRGXRPKNM-FHERZECASA-N 1 3 327.900 2.440 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717267 794610360 /nfs/dbraw/zinc/61/03/60/794610360.db2.gz SSASLDPRPZICEF-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717267 794610367 /nfs/dbraw/zinc/61/03/67/794610367.db2.gz SSASLDPRPZICEF-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441102 796015008 /nfs/dbraw/zinc/01/50/08/796015008.db2.gz AAOSKBTYMVOFHU-RKVPGOIHSA-N 1 3 325.472 2.212 20 30 EEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441102 796015014 /nfs/dbraw/zinc/01/50/14/796015014.db2.gz AAOSKBTYMVOFHU-RKVPGOIHSA-N 1 3 325.472 2.212 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179680 796678882 /nfs/dbraw/zinc/67/88/82/796678882.db2.gz FCPHLVZMBNEWSF-NZSAHSFTSA-N 1 3 327.472 2.098 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049465 798638084 /nfs/dbraw/zinc/63/80/84/798638084.db2.gz BZWAJLARJXUWDE-OTWHNJEPSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049465 798638089 /nfs/dbraw/zinc/63/80/89/798638089.db2.gz BZWAJLARJXUWDE-OTWHNJEPSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001182629369 801264925 /nfs/dbraw/zinc/26/49/25/801264925.db2.gz DSMDFAIWMGTPGF-LZQZEXGQSA-N 1 3 339.499 2.459 20 30 EEEDHO C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001444819225 1099751365 /nfs/dbraw/zinc/75/13/65/1099751365.db2.gz CGERCXYYDKXLPE-BBRMVZONSA-N 1 3 327.900 2.297 20 30 EEEDHO C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC001445361714 1100597118 /nfs/dbraw/zinc/59/71/18/1100597118.db2.gz CYNRLZFISLUIIO-MRXNPFEDSA-N 1 3 342.487 2.417 20 30 EEEDHO N#Cc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000299456041 268072885 /nfs/dbraw/zinc/07/28/85/268072885.db2.gz AKHKXUYANMZFIM-UHFFFAOYSA-N 1 3 335.455 2.255 20 30 EEEDHO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000341260772 465080579 /nfs/dbraw/zinc/08/05/79/465080579.db2.gz CFLNDBUDQAFQPY-QGZVFWFLSA-N 1 3 331.504 2.491 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000296461846 465202852 /nfs/dbraw/zinc/20/28/52/465202852.db2.gz WCODIMRXLZYMOZ-UHFFFAOYSA-N 1 3 344.503 2.281 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000296461846 465202856 /nfs/dbraw/zinc/20/28/56/465202856.db2.gz WCODIMRXLZYMOZ-UHFFFAOYSA-N 1 3 344.503 2.281 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000068280590 463115472 /nfs/dbraw/zinc/11/54/72/463115472.db2.gz VQCIEBFCFXZWMQ-UHFFFAOYSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000283005452 463731360 /nfs/dbraw/zinc/73/13/60/463731360.db2.gz RMZXVHNYHFUIDN-GOSISDBHSA-N 1 3 347.890 2.404 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccsc1Br ZINC000261665132 463820947 /nfs/dbraw/zinc/82/09/47/463820947.db2.gz FXZSQUXPIJMFQY-NSHDSACASA-N 1 3 345.310 2.399 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc(-c2ccccc2)no1 ZINC000264078890 464280225 /nfs/dbraw/zinc/28/02/25/464280225.db2.gz GTTNTSOEJKUQTH-HNNXBMFYSA-N 1 3 327.432 2.230 20 30 EEEDHO CCN(CC)C(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000264093817 464282640 /nfs/dbraw/zinc/28/26/40/464282640.db2.gz LYWNMUPWXHQNMJ-UHFFFAOYSA-N 1 3 345.535 2.241 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358785201 465320126 /nfs/dbraw/zinc/32/01/26/465320126.db2.gz ZJEMZLIXZPSXTA-LJQANCHMSA-N 1 3 344.503 2.109 20 30 EEEDHO C[NH+](C)CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000348447117 465611082 /nfs/dbraw/zinc/61/10/82/465611082.db2.gz ISDUFYFJRQTDNN-SFHVURJKSA-N 1 3 338.455 2.479 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000366824748 465956577 /nfs/dbraw/zinc/95/65/77/465956577.db2.gz GLPYFZAOHSNYTH-QGZVFWFLSA-N 1 3 334.508 2.010 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)C(C)C ZINC000417057492 466766207 /nfs/dbraw/zinc/76/62/07/466766207.db2.gz BLNUTTDXQLVYIF-GOSISDBHSA-N 1 3 348.535 2.470 20 30 EEEDHO Cc1cc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488130753 468072955 /nfs/dbraw/zinc/07/29/55/468072955.db2.gz WGNASQRBGDXDAD-FXAWDEMLSA-N 1 3 326.488 2.325 20 30 EEEDHO Cc1cc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)ccc1C#N ZINC000488130753 468072958 /nfs/dbraw/zinc/07/29/58/468072958.db2.gz WGNASQRBGDXDAD-FXAWDEMLSA-N 1 3 326.488 2.325 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)NC2CCN(Cc3ccsc3)CC2)CC1 ZINC000115115487 526925000 /nfs/dbraw/zinc/92/50/00/526925000.db2.gz JVXJQMYCHHRHDB-UHFFFAOYSA-N 1 3 345.512 2.174 20 30 EEEDHO CC(C)[NH+]1CCC(O)(CNCc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000760701826 577668294 /nfs/dbraw/zinc/66/82/94/577668294.db2.gz FNKASDTZORZIBH-MRXNPFEDSA-N 1 3 331.460 2.302 20 30 EEEDHO C[NH+]1CCC(CC(=O)N2CC[C@@H](NCc3ccc(C#N)s3)C2)CC1 ZINC000970178271 675669252 /nfs/dbraw/zinc/66/92/52/675669252.db2.gz OUFIMSBSDDNJBH-OAHLLOKOSA-N 1 3 346.500 2.042 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001023130686 679137512 /nfs/dbraw/zinc/13/75/12/679137512.db2.gz ZRMKVFKZHLABOK-JKIFEVAISA-N 1 3 346.500 2.231 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000984801128 685276592 /nfs/dbraw/zinc/27/65/92/685276592.db2.gz ZJTOSYBPWCNTDW-SNRMKQJTSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616035 681801422 /nfs/dbraw/zinc/80/14/22/681801422.db2.gz BCAAOJGJCBAXMV-NRSPTQNISA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616035 681801426 /nfs/dbraw/zinc/80/14/26/681801426.db2.gz BCAAOJGJCBAXMV-NRSPTQNISA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301266 682414184 /nfs/dbraw/zinc/41/41/84/682414184.db2.gz IMXFPTDSVKLDHO-RTBURBONSA-N 1 3 331.504 2.341 20 30 EEEDHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591387 683061162 /nfs/dbraw/zinc/06/11/62/683061162.db2.gz BCAUKNSAUALRNC-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262477432 686279600 /nfs/dbraw/zinc/27/96/00/686279600.db2.gz ZZKRUHIRGROIQG-BBWFWOEESA-N 1 3 334.508 2.005 20 30 EEEDHO C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622898 692857764 /nfs/dbraw/zinc/85/77/64/692857764.db2.gz UGQKJYRAXOESDM-SFHVURJKSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622898 692857771 /nfs/dbraw/zinc/85/77/71/692857771.db2.gz UGQKJYRAXOESDM-SFHVURJKSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622898 692857776 /nfs/dbraw/zinc/85/77/76/692857776.db2.gz UGQKJYRAXOESDM-SFHVURJKSA-N 1 3 327.472 2.212 20 30 EEEDHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1NCc1ccccc1C#N ZINC001482427265 1185681276 /nfs/dbraw/zinc/68/12/76/1185681276.db2.gz ACUBXVCXTQHKBY-VQIMIIECSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CN1CCC[C@@H]1C)CCO2 ZINC001105482002 1188098446 /nfs/dbraw/zinc/09/84/46/1188098446.db2.gz PCOYNQHTTQTDAB-ZJRDLVKKSA-N 1 3 349.519 2.177 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001034971679 1196928998 /nfs/dbraw/zinc/92/89/98/1196928998.db2.gz UCJPSAAJNGDDCZ-CZUORRHYSA-N 1 3 334.489 2.041 20 30 EEEDHO CC(C)CNC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000104173161 1204612392 /nfs/dbraw/zinc/61/23/92/1204612392.db2.gz KXBJKVGVTFICJP-UHFFFAOYSA-N 1 3 345.535 2.145 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908771 1208771415 /nfs/dbraw/zinc/77/14/15/1208771415.db2.gz VHCIPYCEFJFAAS-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1Cl ZINC000304758921 1216103489 /nfs/dbraw/zinc/10/34/89/1216103489.db2.gz QPIGVSJZDXCORV-CQSZACIVSA-N 1 3 326.847 2.410 20 30 EEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000960304457 1216483095 /nfs/dbraw/zinc/48/30/95/1216483095.db2.gz UUIGBSYSHNDIMP-RTBURBONSA-N 1 3 327.472 2.276 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230123 1217099105 /nfs/dbraw/zinc/09/91/05/1217099105.db2.gz KLTMRXQSZXMAAK-MOPGFXCFSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230123 1217099107 /nfs/dbraw/zinc/09/91/07/1217099107.db2.gz KLTMRXQSZXMAAK-MOPGFXCFSA-N 1 3 345.531 2.302 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000965065731 1218869547 /nfs/dbraw/zinc/86/95/47/1218869547.db2.gz ZPVICLCXLVDLCV-UHFFFAOYSA-N 1 3 339.911 2.488 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC=C(C)C)CC[C@H]2C)CC1 ZINC000968680616 1221486926 /nfs/dbraw/zinc/48/69/26/1221486926.db2.gz BWYSTPNSLSSOQI-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC[C@H]2C)CC1 ZINC000968680616 1221486927 /nfs/dbraw/zinc/48/69/27/1221486927.db2.gz BWYSTPNSLSSOQI-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC23CC[NH+](CC2CCC2)CC3)CC1 ZINC001016983967 1227013652 /nfs/dbraw/zinc/01/36/52/1227013652.db2.gz AXNODDDPBDTTRN-IBGZPJMESA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCCCC2)CC1 ZINC001039042271 1230258904 /nfs/dbraw/zinc/25/89/04/1230258904.db2.gz OULPKWIFABNRPY-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCCCC2)CC1 ZINC001039042271 1230258905 /nfs/dbraw/zinc/25/89/05/1230258905.db2.gz OULPKWIFABNRPY-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165697 1230387176 /nfs/dbraw/zinc/38/71/76/1230387176.db2.gz RIPGKOLOBGYCBZ-IEBWSBKVSA-N 1 3 333.520 2.465 20 30 EEEDHO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165697 1230387179 /nfs/dbraw/zinc/38/71/79/1230387179.db2.gz RIPGKOLOBGYCBZ-IEBWSBKVSA-N 1 3 333.520 2.465 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001040953181 1231408972 /nfs/dbraw/zinc/40/89/72/1231408972.db2.gz KHUYWANGOQZLBS-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001045188033 1233567628 /nfs/dbraw/zinc/56/76/28/1233567628.db2.gz ZHQJOUOVHJRCMY-RBUKOAKNSA-N 1 3 342.487 2.225 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965752 1234243889 /nfs/dbraw/zinc/24/38/89/1234243889.db2.gz WEPIWVGWDRIOOD-UYAOXDASSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965752 1234243893 /nfs/dbraw/zinc/24/38/93/1234243893.db2.gz WEPIWVGWDRIOOD-UYAOXDASSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC)C3)CC1 ZINC001047209191 1235673107 /nfs/dbraw/zinc/67/31/07/1235673107.db2.gz QYOWNJYKHGFRNX-WDSOQIARSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC)C3)CC1 ZINC001047209191 1235673113 /nfs/dbraw/zinc/67/31/13/1235673113.db2.gz QYOWNJYKHGFRNX-WDSOQIARSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC=C)CC1 ZINC001048589944 1238040890 /nfs/dbraw/zinc/04/08/90/1238040890.db2.gz DLKIXVBMIKUPHZ-FNLKRUPLSA-N 1 3 343.515 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC=C)CC1 ZINC001048589944 1238040896 /nfs/dbraw/zinc/04/08/96/1238040896.db2.gz DLKIXVBMIKUPHZ-FNLKRUPLSA-N 1 3 343.515 2.267 20 30 EEEDHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913452 1242676734 /nfs/dbraw/zinc/67/67/34/1242676734.db2.gz YFDXIRYMRYCJIP-PMACEKPBSA-N 1 3 339.483 2.450 20 30 EEEDHO C=CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001050663418 1244074759 /nfs/dbraw/zinc/07/47/59/1244074759.db2.gz UHNNMJMBCXVZLO-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701277 1244783801 /nfs/dbraw/zinc/78/38/01/1244783801.db2.gz CALFXXHCSJBBRT-VQIMIIECSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052701277 1244783806 /nfs/dbraw/zinc/78/38/06/1244783806.db2.gz CALFXXHCSJBBRT-VQIMIIECSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001054145169 1247517403 /nfs/dbraw/zinc/51/74/03/1247517403.db2.gz LOIIQFXOZGEDGF-QUCCMNQESA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054145169 1247517406 /nfs/dbraw/zinc/51/74/06/1247517406.db2.gz LOIIQFXOZGEDGF-QUCCMNQESA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001054171598 1247597400 /nfs/dbraw/zinc/59/74/00/1247597400.db2.gz VAOGBCDSHZUKGM-FPOVZHCZSA-N 1 3 343.515 2.199 20 30 EEEDHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001101039195 1259603313 /nfs/dbraw/zinc/60/33/13/1259603313.db2.gz AACFYLHYIUPBEQ-UHFFFAOYSA-N 1 3 346.450 2.022 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001187240795 1279447592 /nfs/dbraw/zinc/44/75/92/1279447592.db2.gz MASKQGXQVSSIPQ-CQSZACIVSA-N 1 3 334.489 2.042 20 30 EEEDHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001188139375 1279774683 /nfs/dbraw/zinc/77/46/83/1279774683.db2.gz MYIWAJOXFBEDGZ-UXHICEINSA-N 1 3 339.483 2.103 20 30 EEEDHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001188139375 1279774688 /nfs/dbraw/zinc/77/46/88/1279774688.db2.gz MYIWAJOXFBEDGZ-UXHICEINSA-N 1 3 339.483 2.103 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC001203924538 1285477053 /nfs/dbraw/zinc/47/70/53/1285477053.db2.gz BSRHUCUKWSKIKX-UHFFFAOYSA-N 1 3 345.462 2.098 20 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EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704688 1320594452 /nfs/dbraw/zinc/59/44/52/1320594452.db2.gz GBEXTMZBGVHYHP-RBUKOAKNSA-N 1 3 331.504 2.269 20 30 EEEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001162747186 1320948544 /nfs/dbraw/zinc/94/85/44/1320948544.db2.gz OOMNSPPTEGPGBK-IBGZPJMESA-N 1 3 329.488 2.318 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928529 1320990292 /nfs/dbraw/zinc/99/02/92/1320990292.db2.gz JZLMPQFHBFGJLV-IBGZPJMESA-N 1 3 341.499 2.155 20 30 EEEDHO C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)(C)C1 ZINC001162934657 1320991204 /nfs/dbraw/zinc/99/12/04/1320991204.db2.gz GXSDCOXKLCCSOJ-UHFFFAOYSA-N 1 3 341.499 2.012 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]C/C=C\Cl)C23CCC3)CC1 ZINC001203773664 1321958404 /nfs/dbraw/zinc/95/84/04/1321958404.db2.gz WDADVJAGSILCKV-YCFODECYSA-N 1 3 349.906 2.101 20 30 EEEDHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC001262562441 1322323331 /nfs/dbraw/zinc/32/33/31/1322323331.db2.gz AVPPLKLVPMFBCO-FCEWJHQRSA-N 1 3 331.460 2.071 20 30 EEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001205415912 1323121809 /nfs/dbraw/zinc/12/18/09/1323121809.db2.gz QPUUCSOTGFTYHW-HNNXBMFYSA-N 1 3 333.879 2.247 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205436989 1323132117 /nfs/dbraw/zinc/13/21/17/1323132117.db2.gz VYUXQEOJLVAWHK-OTWHNJEPSA-N 1 3 345.462 2.073 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1)[NH+](C)C ZINC001209486115 1324945867 /nfs/dbraw/zinc/94/58/67/1324945867.db2.gz WHRPDRHULAJWDQ-WOJBJXKFSA-N 1 3 341.499 2.205 20 30 EEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001332078638 1335721017 /nfs/dbraw/zinc/72/10/17/1335721017.db2.gz ZSNGQLJRLQIOLJ-DLBZAZTESA-N 1 3 348.878 2.379 20 30 EEEDHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001332078638 1335721020 /nfs/dbraw/zinc/72/10/20/1335721020.db2.gz ZSNGQLJRLQIOLJ-DLBZAZTESA-N 1 3 348.878 2.379 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)N(C)C ZINC001376811457 1378766860 /nfs/dbraw/zinc/76/68/60/1378766860.db2.gz YSMUYHWZAURLTG-SFHVURJKSA-N 1 3 342.487 2.273 20 30 EEEDHO C[C@@H](CN(C)C(=O)CN1CCC(C)CC1)[NH2+]Cc1ccc(C#N)s1 ZINC001382136821 1381998973 /nfs/dbraw/zinc/99/89/73/1381998973.db2.gz ILGXNBNYBMEXNS-HNNXBMFYSA-N 1 3 348.516 2.288 20 30 EEEDHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001393803921 1390548070 /nfs/dbraw/zinc/54/80/70/1390548070.db2.gz FUUVIVSDKMZEQH-AWEZNQCLSA-N 1 3 346.450 2.166 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001401595448 1397465846 /nfs/dbraw/zinc/46/58/46/1397465846.db2.gz FVZUBVVGZBJFHM-YOEHRIQHSA-N 1 3 348.516 2.336 20 30 EEEDHO CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]cn1 ZINC001403088023 1398354356 /nfs/dbraw/zinc/35/43/56/1398354356.db2.gz IUCFPWPUWLUSRU-UHFFFAOYSA-N 1 3 339.443 2.098 20 30 EEEDHO C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001755464739 1407499405 /nfs/dbraw/zinc/49/94/05/1407499405.db2.gz PDZFNKMHKCLENP-ROUUACIJSA-N 1 3 349.519 2.034 20 30 EEEDHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755520500 1407578756 /nfs/dbraw/zinc/57/87/56/1407578756.db2.gz JVJZTOKWYAPIHM-SJORKVTESA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755520500 1407578761 /nfs/dbraw/zinc/57/87/61/1407578761.db2.gz JVJZTOKWYAPIHM-SJORKVTESA-N 1 3 342.487 2.275 20 30 EEEDHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001755851325 1407903100 /nfs/dbraw/zinc/90/31/00/1407903100.db2.gz HTFCXYQFDWMJHN-KGLIPLIRSA-N 1 3 335.414 2.273 20 30 EEEDHO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458664 760849178 /nfs/dbraw/zinc/84/91/78/760849178.db2.gz MNTAUICXOUIHGZ-MRXNPFEDSA-N 1 3 330.476 2.479 20 30 EEEDHO C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458664 760849197 /nfs/dbraw/zinc/84/91/97/760849197.db2.gz MNTAUICXOUIHGZ-MRXNPFEDSA-N 1 3 330.476 2.479 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980169833 774000297 /nfs/dbraw/zinc/00/02/97/774000297.db2.gz JJAVZLZHEYLKIV-KSZLIROESA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980169833 774000301 /nfs/dbraw/zinc/00/03/01/774000301.db2.gz JJAVZLZHEYLKIV-KSZLIROESA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997617159 790454633 /nfs/dbraw/zinc/45/46/33/790454633.db2.gz DXBWJAXFWLESSM-LPHOPBHVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997617159 790454639 /nfs/dbraw/zinc/45/46/39/790454639.db2.gz DXBWJAXFWLESSM-LPHOPBHVSA-N 1 3 331.504 2.243 20 30 EEEDHO CCOC(=O)C1([C@H](C)NCc2cc(C#N)ccc2F)CC[NH2+]CC1 ZINC000925812507 777624815 /nfs/dbraw/zinc/62/48/15/777624815.db2.gz IFGMABXVMZLVGL-ZDUSSCGKSA-N 1 3 333.407 2.108 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CC1 ZINC000981541008 777625152 /nfs/dbraw/zinc/62/51/52/777625152.db2.gz IKGUBOUIABTHDA-RBUKOAKNSA-N 1 3 331.504 2.149 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC000982294849 779595644 /nfs/dbraw/zinc/59/56/44/779595644.db2.gz IVDFAOXECDMLHK-SESVDKBCSA-N 1 3 345.531 2.158 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC000982294849 779595649 /nfs/dbraw/zinc/59/56/49/779595649.db2.gz IVDFAOXECDMLHK-SESVDKBCSA-N 1 3 345.531 2.158 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979029 784904017 /nfs/dbraw/zinc/90/40/17/784904017.db2.gz AYMYYLWGHCWHPK-HZPDHXFCSA-N 1 3 330.476 2.273 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135977783 784929229 /nfs/dbraw/zinc/92/92/29/784929229.db2.gz ZAQXDYSIGKMOGQ-ROUUACIJSA-N 1 3 329.488 2.253 20 30 EEEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035856451 785296779 /nfs/dbraw/zinc/29/67/79/785296779.db2.gz OIHOHZBLPHCMPD-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485375 787381722 /nfs/dbraw/zinc/38/17/22/787381722.db2.gz YGWODOOMHCOSEN-QWFCFKBJSA-N 1 3 331.504 2.408 20 30 EEEDHO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485375 787381727 /nfs/dbraw/zinc/38/17/27/787381727.db2.gz YGWODOOMHCOSEN-QWFCFKBJSA-N 1 3 331.504 2.408 20 30 EEEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550441 787578408 /nfs/dbraw/zinc/57/84/08/787578408.db2.gz VQSGBDWYSHRCGK-AHRSYUTCSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550441 787578419 /nfs/dbraw/zinc/57/84/19/787578419.db2.gz VQSGBDWYSHRCGK-AHRSYUTCSA-N 1 3 349.494 2.193 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1)N(C)C ZINC000996980639 788325602 /nfs/dbraw/zinc/32/56/02/788325602.db2.gz 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C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504086 794432979 /nfs/dbraw/zinc/43/29/79/794432979.db2.gz GBUVPUYQPQMXKV-FPOVZHCZSA-N 1 3 343.515 2.411 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC000999490600 794592620 /nfs/dbraw/zinc/59/26/20/794592620.db2.gz RFKXPUSAUSSMDA-XJKSGUPXSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371824 795103839 /nfs/dbraw/zinc/10/38/39/795103839.db2.gz VNAGUDYEDKHFOM-OALUTQOASA-N 1 3 343.515 2.053 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371824 795103840 /nfs/dbraw/zinc/10/38/40/795103840.db2.gz VNAGUDYEDKHFOM-OALUTQOASA-N 1 3 343.515 2.053 20 30 EEEDHO C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529030 796362470 /nfs/dbraw/zinc/36/24/70/796362470.db2.gz FVHKIGTYJFVISX-QWFCFKBJSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C(C)C)CCC[C@@H]12 ZINC001094529030 796362473 /nfs/dbraw/zinc/36/24/73/796362473.db2.gz FVHKIGTYJFVISX-QWFCFKBJSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902915 796441443 /nfs/dbraw/zinc/44/14/43/796441443.db2.gz SCARNJQWTCNXHU-PMACEKPBSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902915 796441446 /nfs/dbraw/zinc/44/14/46/796441446.db2.gz SCARNJQWTCNXHU-PMACEKPBSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994201174 797401765 /nfs/dbraw/zinc/40/17/65/797401765.db2.gz IAQOWGAPSPMFJZ-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404321 798411208 /nfs/dbraw/zinc/41/12/08/798411208.db2.gz VVQMMSYTKCPTBS-ROUUACIJSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404321 798411210 /nfs/dbraw/zinc/41/12/10/798411210.db2.gz VVQMMSYTKCPTBS-ROUUACIJSA-N 1 3 333.520 2.204 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044744258 803420674 /nfs/dbraw/zinc/42/06/74/803420674.db2.gz OBPYXCOULOCWJI-LSDHHAIUSA-N 1 3 327.900 2.440 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114821 1093176615 /nfs/dbraw/zinc/17/66/15/1093176615.db2.gz FMUZOXHSQBLVKK-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001441625745 1095503436 /nfs/dbraw/zinc/50/34/36/1095503436.db2.gz YLOLMYWCBWCZTC-OAHLLOKOSA-N 1 3 348.516 2.290 20 30 EEEDHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1)N(C)C ZINC001444066970 1098591021 /nfs/dbraw/zinc/59/10/21/1098591021.db2.gz BPPDEGZBQZAYPN-MRXNPFEDSA-N 1 3 348.516 2.479 20 30 EEEDHO C#C[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)(C)C ZINC000491474714 246040902 /nfs/dbraw/zinc/04/09/02/246040902.db2.gz PHZFCCRZRFEYFV-GOSISDBHSA-N 1 3 333.520 2.347 20 30 EEEDHO CCC[N@H+](CCOc1ccccc1C#N)CCN1CCN(CC)CC1 ZINC000344156291 161203122 /nfs/dbraw/zinc/20/31/22/161203122.db2.gz KWUCBNUCAWNYFQ-UHFFFAOYSA-N 1 3 344.503 2.287 20 30 EEEDHO CCC[N@@H+](CCOc1ccccc1C#N)CCN1CCN(CC)CC1 ZINC000344156291 161203123 /nfs/dbraw/zinc/20/31/23/161203123.db2.gz KWUCBNUCAWNYFQ-UHFFFAOYSA-N 1 3 344.503 2.287 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000280449471 268090031 /nfs/dbraw/zinc/09/00/31/268090031.db2.gz RISIJMUNRHWKGV-RBUKOAKNSA-N 1 3 336.439 2.185 20 30 EEEDHO C#CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154256514 462747407 /nfs/dbraw/zinc/74/74/07/462747407.db2.gz ONHZQRRVNSBZHT-SFHVURJKSA-N 1 3 329.488 2.377 20 30 EEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330842 463579826 /nfs/dbraw/zinc/57/98/26/463579826.db2.gz BUBBLRNRIZQAEY-SFHVURJKSA-N 1 3 328.460 2.046 20 30 EEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1 ZINC000058330842 463579832 /nfs/dbraw/zinc/57/98/32/463579832.db2.gz BUBBLRNRIZQAEY-SFHVURJKSA-N 1 3 328.460 2.046 20 30 EEEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171722665 463913946 /nfs/dbraw/zinc/91/39/46/463913946.db2.gz MYQGUUIJXYTQCX-INIZCTEOSA-N 1 3 336.524 2.447 20 30 EEEDHO C=CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171722665 463913949 /nfs/dbraw/zinc/91/39/49/463913949.db2.gz MYQGUUIJXYTQCX-INIZCTEOSA-N 1 3 336.524 2.447 20 30 EEEDHO CC1CCN(C(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000190527970 464669385 /nfs/dbraw/zinc/66/93/85/464669385.db2.gz DJIKNOGFIJDABO-LJQANCHMSA-N 1 3 344.503 2.324 20 30 EEEDHO C#CCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000364369478 466697755 /nfs/dbraw/zinc/69/77/55/466697755.db2.gz CXOJRUPTAPYRGT-QGZVFWFLSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364369478 466697758 /nfs/dbraw/zinc/69/77/58/466697758.db2.gz CXOJRUPTAPYRGT-QGZVFWFLSA-N 1 3 331.504 2.245 20 30 EEEDHO C[NH+](C)CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424152874 466992110 /nfs/dbraw/zinc/99/21/10/466992110.db2.gz JFBMQNBUWNKMME-CQSZACIVSA-N 1 3 338.839 2.240 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488846368 468108607 /nfs/dbraw/zinc/10/86/07/468108607.db2.gz STKLYJYRDFTCKD-JENIJYKNSA-N 1 3 348.535 2.399 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000488846368 468108608 /nfs/dbraw/zinc/10/86/08/468108608.db2.gz STKLYJYRDFTCKD-JENIJYKNSA-N 1 3 348.535 2.399 20 30 EEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000533051218 468165684 /nfs/dbraw/zinc/16/56/84/468165684.db2.gz MJESIGCLRUPKQD-SFHVURJKSA-N 1 3 345.491 2.166 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000995225084 782131832 /nfs/dbraw/zinc/13/18/32/782131832.db2.gz BXVPIBRRJPDSGS-UYAOXDASSA-N 1 3 345.531 2.396 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000371042520 526587415 /nfs/dbraw/zinc/58/74/15/526587415.db2.gz JCRUZTXVVVFSMO-GOSISDBHSA-N 1 3 348.535 2.400 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000891921003 677703318 /nfs/dbraw/zinc/70/33/18/677703318.db2.gz HEPRUKYEWGQPNG-IEBWSBKVSA-N 1 3 348.535 2.271 20 30 EEEDHO CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023507832 679346264 /nfs/dbraw/zinc/34/62/64/679346264.db2.gz AOZHTNDVRWZWKO-SFHVURJKSA-N 1 3 341.499 2.256 20 30 EEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542069 681865852 /nfs/dbraw/zinc/86/58/52/681865852.db2.gz KWCGINFOYODDOH-ZWKOTPCHSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542069 681865858 /nfs/dbraw/zinc/86/58/58/681865858.db2.gz KWCGINFOYODDOH-ZWKOTPCHSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273404 682379828 /nfs/dbraw/zinc/37/98/28/682379828.db2.gz DYUPRGZHADYHDD-MOPGFXCFSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985653262 687397133 /nfs/dbraw/zinc/39/71/33/687397133.db2.gz KGDLNXVJYBDQQA-GOSISDBHSA-N 1 3 325.472 2.308 20 30 EEEDHO C=CC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985653262 687397137 /nfs/dbraw/zinc/39/71/37/687397137.db2.gz KGDLNXVJYBDQQA-GOSISDBHSA-N 1 3 325.472 2.308 20 30 EEEDHO C=C(C)CN1CCC(NC(NC[C@]2(C)CCCC[C@H]2O)=[NH+]C)CC1 ZINC000262745907 688310612 /nfs/dbraw/zinc/31/06/12/688310612.db2.gz AJKYFDKOAZNRKI-MJGOQNOKSA-N 1 3 336.524 2.133 20 30 EEEDHO C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC000262790203 688474009 /nfs/dbraw/zinc/47/40/09/688474009.db2.gz KODGEKOYSRAIDX-KUHUBIRLSA-N 1 3 348.539 2.212 20 30 EEEDHO Cc1ncc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)o1 ZINC000263021913 688901270 /nfs/dbraw/zinc/90/12/70/688901270.db2.gz ACLKUBBYXUMZGV-UHFFFAOYSA-N 1 3 327.432 2.052 20 30 EEEDHO C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001105427401 1186940823 /nfs/dbraw/zinc/94/08/23/1186940823.db2.gz KMCMJYMEZHTMBN-IRFCIJBXSA-N 1 3 341.499 2.012 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447643 1187206963 /nfs/dbraw/zinc/20/69/63/1187206963.db2.gz LDQARXUMZMAMDK-PUZFROQSSA-N 1 3 329.488 2.319 20 30 EEEDHO CN(c1ccccc1C=NN1CCC[C@@H]1CO)C1CC[NH+](C)CC1 ZINC000841661514 1187370466 /nfs/dbraw/zinc/37/04/66/1187370466.db2.gz IMCDCFLFHJRXTD-GOSISDBHSA-N 1 3 330.476 2.008 20 30 EEEDHO C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990799 1195608356 /nfs/dbraw/zinc/60/83/56/1195608356.db2.gz XUVOZSYVYGLNFP-IBGZPJMESA-N 1 3 327.472 2.308 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398956 1196190120 /nfs/dbraw/zinc/19/01/20/1196190120.db2.gz PRVZYKYONIODRD-QFBILLFUSA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398956 1196190121 /nfs/dbraw/zinc/19/01/21/1196190121.db2.gz PRVZYKYONIODRD-QFBILLFUSA-N 1 3 337.483 2.193 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C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162831765 1320970183 /nfs/dbraw/zinc/97/01/83/1320970183.db2.gz DYSLQHSSIALKJI-UHFFFAOYSA-N 1 3 341.499 2.155 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841499 1320972312 /nfs/dbraw/zinc/97/23/12/1320972312.db2.gz VERWLSXRBZSLGY-LJQANCHMSA-N 1 3 329.488 2.011 20 30 EEEDHO C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001165314116 1321499236 /nfs/dbraw/zinc/49/92/36/1321499236.db2.gz GJDTVXDFJDBCHA-AWEZNQCLSA-N 1 3 333.879 2.295 20 30 EEEDHO C[NH+](C)CCCC(=O)NCC1CC(NCc2cc(C#N)ccc2F)C1 ZINC001100619718 1338556842 /nfs/dbraw/zinc/55/68/42/1338556842.db2.gz DUOVMUDIOTYGOF-UHFFFAOYSA-N 1 3 346.450 2.024 20 30 EEEDHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001100651923 1338599930 /nfs/dbraw/zinc/59/99/30/1338599930.db2.gz PVSGHHNVZZOWQK-SOAGJPPSSA-N 1 3 341.499 2.109 20 30 EEEDHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001366631276 1373979992 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2.041 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C[C@H]1C ZINC001425914290 1401800402 /nfs/dbraw/zinc/80/04/02/1401800402.db2.gz LWUJNSJALGRZCT-KGLIPLIRSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC001574517329 1403521967 /nfs/dbraw/zinc/52/19/67/1403521967.db2.gz MHOAHHHQCXPLMO-QUCCMNQESA-N 1 3 325.456 2.085 20 30 EEEDHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001723649081 1405769890 /nfs/dbraw/zinc/76/98/90/1405769890.db2.gz GGCAJTOTFVGDNU-IBGZPJMESA-N 1 3 333.520 2.299 20 30 EEEDHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001723649081 1405769898 /nfs/dbraw/zinc/76/98/98/1405769898.db2.gz GGCAJTOTFVGDNU-IBGZPJMESA-N 1 3 333.520 2.299 20 30 EEEDHO CC#CC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001755533102 1407600223 /nfs/dbraw/zinc/60/02/23/1407600223.db2.gz JDYHJMJXIOIUQG-LJQANCHMSA-N 1 3 337.483 2.145 20 30 EEEDHO CC#CC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001755533102 1407600233 /nfs/dbraw/zinc/60/02/33/1407600233.db2.gz JDYHJMJXIOIUQG-LJQANCHMSA-N 1 3 337.483 2.145 20 30 EEEDHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001755573112 1407644658 /nfs/dbraw/zinc/64/46/58/1407644658.db2.gz MTDXWZBBCBCZIT-LJQANCHMSA-N 1 3 327.472 2.212 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166045 1410877615 /nfs/dbraw/zinc/87/76/15/1410877615.db2.gz BGQHEVGYNKISBD-RBSFLKMASA-N 1 3 347.425 2.416 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211620641 761164662 /nfs/dbraw/zinc/16/46/62/761164662.db2.gz YDJRZKPVSVBAGH-ZCNNSNEGSA-N 1 3 341.499 2.180 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)[C@H](C)C2)CC1 ZINC000948070325 773435216 /nfs/dbraw/zinc/43/52/16/773435216.db2.gz ONFIZXFIZREFMD-IEBWSBKVSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@H](C)C2)CC1 ZINC000948070325 773435217 /nfs/dbraw/zinc/43/52/17/773435217.db2.gz ONFIZXFIZREFMD-IEBWSBKVSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC000980479531 774705188 /nfs/dbraw/zinc/70/51/88/774705188.db2.gz XHRORRVBWRVSCB-HXUWFJFHSA-N 1 3 343.515 2.365 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC000980479531 774705192 /nfs/dbraw/zinc/70/51/92/774705192.db2.gz XHRORRVBWRVSCB-HXUWFJFHSA-N 1 3 343.515 2.365 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089819377 776799241 /nfs/dbraw/zinc/79/92/41/776799241.db2.gz GOUBWXSPBGUXCC-FJIDUMEYSA-N 1 3 331.504 2.216 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089819377 776799249 /nfs/dbraw/zinc/79/92/49/776799249.db2.gz GOUBWXSPBGUXCC-FJIDUMEYSA-N 1 3 331.504 2.216 20 30 EEEDHO C#CCN1CCC(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000107192592 777651826 /nfs/dbraw/zinc/65/18/26/777651826.db2.gz FHOIBMFAENDBEI-UHFFFAOYSA-N 1 3 343.471 2.301 20 30 EEEDHO C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982012703 778864176 /nfs/dbraw/zinc/86/41/76/778864176.db2.gz DYEHGJRLXLKASF-HXUWFJFHSA-N 1 3 349.494 2.147 20 30 EEEDHO C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982012703 778864184 /nfs/dbraw/zinc/86/41/84/778864184.db2.gz DYEHGJRLXLKASF-HXUWFJFHSA-N 1 3 349.494 2.147 20 30 EEEDHO C[C@H](C[C@H](C)NCc1ccccc1C#N)NC(=O)C1CC[NH+](C)CC1 ZINC001135390632 783712049 /nfs/dbraw/zinc/71/20/49/783712049.db2.gz LUXXCPONAMMBBH-JKSUJKDBSA-N 1 3 342.487 2.273 20 30 EEEDHO C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CCC ZINC001135976048 784925092 /nfs/dbraw/zinc/92/50/92/784925092.db2.gz GHRZJQAOGVXYNT-OLZOCXBDSA-N 1 3 334.302 2.110 20 30 EEEDHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001136032152 785014535 /nfs/dbraw/zinc/01/45/35/785014535.db2.gz WRMHNYUMACRWNQ-UONOGXRCSA-N 1 3 339.443 2.205 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013351 793506542 /nfs/dbraw/zinc/50/65/42/793506542.db2.gz ODVDYXYPDSMXPY-LSTHTHJFSA-N 1 3 349.494 2.003 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092013351 793506548 /nfs/dbraw/zinc/50/65/48/793506548.db2.gz ODVDYXYPDSMXPY-LSTHTHJFSA-N 1 3 349.494 2.003 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1F ZINC001079310751 794600918 /nfs/dbraw/zinc/60/09/18/794600918.db2.gz HZGYBIZPBRUXTL-VDZJLULYSA-N 1 3 345.462 2.380 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093381095 795120754 /nfs/dbraw/zinc/12/07/54/795120754.db2.gz GOJCLIYYKHQTAC-YLJYHZDGSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001093381095 795120760 /nfs/dbraw/zinc/12/07/60/795120760.db2.gz GOJCLIYYKHQTAC-YLJYHZDGSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471080 798050887 /nfs/dbraw/zinc/05/08/87/798050887.db2.gz AKNDASOJFVAUCR-MJGOQNOKSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC000994471080 798050894 /nfs/dbraw/zinc/05/08/94/798050894.db2.gz AKNDASOJFVAUCR-MJGOQNOKSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346753 798161312 /nfs/dbraw/zinc/16/13/12/798161312.db2.gz ZNZNPLTUBSWNMH-QWFCFKBJSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346753 798161317 /nfs/dbraw/zinc/16/13/17/798161317.db2.gz ZNZNPLTUBSWNMH-QWFCFKBJSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958108 798577436 /nfs/dbraw/zinc/57/74/36/798577436.db2.gz LTZOKCZZCMVWMY-QRVBRYPASA-N 1 3 331.504 2.195 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958108 798577442 /nfs/dbraw/zinc/57/74/42/798577442.db2.gz LTZOKCZZCMVWMY-QRVBRYPASA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033121 798623337 /nfs/dbraw/zinc/62/33/37/798623337.db2.gz ROBZTVSXPWLOFC-UWVAXJGDSA-N 1 3 349.494 2.145 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085033121 798623339 /nfs/dbraw/zinc/62/33/39/798623339.db2.gz ROBZTVSXPWLOFC-UWVAXJGDSA-N 1 3 349.494 2.145 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC001016335109 798671357 /nfs/dbraw/zinc/67/13/57/798671357.db2.gz AQVFXEOEXNIICZ-QLOJAFMTSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC(C)CC3)C2)CC1 ZINC001016335109 798671358 /nfs/dbraw/zinc/67/13/58/798671358.db2.gz AQVFXEOEXNIICZ-QLOJAFMTSA-N 1 3 345.531 2.348 20 30 EEEDHO C[C@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001179435462 799920226 /nfs/dbraw/zinc/92/02/26/799920226.db2.gz QQGVVBIVJXSQDU-LPHOPBHVSA-N 1 3 345.462 2.098 20 30 EEEDHO C#CC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179585276 800017922 /nfs/dbraw/zinc/01/79/22/800017922.db2.gz GECPISNMBFGRFO-SFHVURJKSA-N 1 3 325.472 2.098 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182516133 801221044 /nfs/dbraw/zinc/22/10/44/801221044.db2.gz BEVKVIKPLQDZFE-FRFSOERESA-N 1 3 329.916 2.399 20 30 EEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001183575656 801656271 /nfs/dbraw/zinc/65/62/71/801656271.db2.gz DABBPBXHCIUAKK-MOPGFXCFSA-N 1 3 327.472 2.275 20 30 EEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183575656 801656274 /nfs/dbraw/zinc/65/62/74/801656274.db2.gz DABBPBXHCIUAKK-MOPGFXCFSA-N 1 3 327.472 2.275 20 30 EEEDHO N#CC1(c2ccccc2)CCC(N2CCN(CCC[NH3+])CC2)CC1 ZINC001170367095 809908922 /nfs/dbraw/zinc/90/89/22/809908922.db2.gz FHFZZXYMLHNBFA-UHFFFAOYSA-N 1 3 326.488 2.357 20 30 EEEDHO C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130431327 811632257 /nfs/dbraw/zinc/63/22/57/811632257.db2.gz VGKNJBLPNOXLDU-INIZCTEOSA-N 1 3 347.507 2.123 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130431327 811632263 /nfs/dbraw/zinc/63/22/63/811632263.db2.gz VGKNJBLPNOXLDU-INIZCTEOSA-N 1 3 347.507 2.123 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131453874 812854088 /nfs/dbraw/zinc/85/40/88/812854088.db2.gz BPIUWRFNGFRFGQ-QYZOEREBSA-N 1 3 349.519 2.033 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001437323960 1089488077 /nfs/dbraw/zinc/48/80/77/1089488077.db2.gz DXTAURZSMRETAI-MOPGFXCFSA-N 1 3 342.487 2.417 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001437323960 1089488081 /nfs/dbraw/zinc/48/80/81/1089488081.db2.gz DXTAURZSMRETAI-MOPGFXCFSA-N 1 3 342.487 2.417 20 30 EEEDHO CN(C)C1(C(=O)NCC2([NH2+]Cc3cccc(C#N)c3)CCC2)CCC1 ZINC001440326847 1093469358 /nfs/dbraw/zinc/46/93/58/1093469358.db2.gz ZJVDYZBAVCMBFL-UHFFFAOYSA-N 1 3 340.471 2.171 20 30 EEEDHO C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001444819237 1099751762 /nfs/dbraw/zinc/75/17/62/1099751762.db2.gz CGERCXYYDKXLPE-XJKSGUPXSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000491809147 246163647 /nfs/dbraw/zinc/16/36/47/246163647.db2.gz WZDCDKWYUVKNSM-QZTJIDSGSA-N 1 3 341.499 2.394 20 30 EEEDHO N#Cc1ccc([C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000156614016 206088230 /nfs/dbraw/zinc/08/82/30/206088230.db2.gz ZFYJATIMTSPMJH-FQEVSTJZSA-N 1 3 343.471 2.168 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000491808537 533101755 /nfs/dbraw/zinc/10/17/55/533101755.db2.gz WFDGCRNGZWWLKD-MOPGFXCFSA-N 1 3 348.535 2.238 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000491808537 533101759 /nfs/dbraw/zinc/10/17/59/533101759.db2.gz WFDGCRNGZWWLKD-MOPGFXCFSA-N 1 3 348.535 2.238 20 30 EEEDHO COCC[N@H+](C)CCCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191419247 533313688 /nfs/dbraw/zinc/31/36/88/533313688.db2.gz MGRGJSPQTWTDHD-UHFFFAOYSA-N 1 3 332.492 2.467 20 30 EEEDHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191419247 533313696 /nfs/dbraw/zinc/31/36/96/533313696.db2.gz MGRGJSPQTWTDHD-UHFFFAOYSA-N 1 3 332.492 2.467 20 30 EEEDHO C=CCOc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000119969121 462948048 /nfs/dbraw/zinc/94/80/48/462948048.db2.gz ULEYGNXSKIVSBN-UHFFFAOYSA-N 1 3 334.464 2.209 20 30 EEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCc2ccccc21 ZINC000262452229 464027327 /nfs/dbraw/zinc/02/73/27/464027327.db2.gz WEJIWDBXNHZUDH-UHFFFAOYSA-N 1 3 342.487 2.270 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cc(F)c(F)c1F ZINC000280452418 464206081 /nfs/dbraw/zinc/20/60/81/464206081.db2.gz VRWSNGPNYOHXOS-SECBINFHSA-N 1 3 332.345 2.132 20 30 EEEDHO CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000280564392 464217819 /nfs/dbraw/zinc/21/78/19/464217819.db2.gz KVKOBKZLAISKDM-BPQIPLTHSA-N 1 3 330.476 2.330 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(F)ccc12 ZINC000264095044 464282494 /nfs/dbraw/zinc/28/24/94/464282494.db2.gz LVHNWYYBMTWZNH-OAHLLOKOSA-N 1 3 331.439 2.238 20 30 EEEDHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112928 464387607 /nfs/dbraw/zinc/38/76/07/464387607.db2.gz YPKCNKOBCIUTBR-LJQANCHMSA-N 1 3 326.444 2.305 20 30 EEEDHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112928 464387610 /nfs/dbraw/zinc/38/76/10/464387610.db2.gz YPKCNKOBCIUTBR-LJQANCHMSA-N 1 3 326.444 2.305 20 30 EEEDHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000293871001 464423391 /nfs/dbraw/zinc/42/33/91/464423391.db2.gz FEVRSZFVVZLOPP-AZUAARDMSA-N 1 3 336.439 2.185 20 30 EEEDHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000293871001 464423395 /nfs/dbraw/zinc/42/33/95/464423395.db2.gz FEVRSZFVVZLOPP-AZUAARDMSA-N 1 3 336.439 2.185 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658428 465462999 /nfs/dbraw/zinc/46/29/99/465462999.db2.gz HLAJFIPZFXGMHL-PKOBYXMFSA-N 1 3 348.535 2.469 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658428 465463003 /nfs/dbraw/zinc/46/30/03/465463003.db2.gz HLAJFIPZFXGMHL-PKOBYXMFSA-N 1 3 348.535 2.469 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000417058864 466767356 /nfs/dbraw/zinc/76/73/56/466767356.db2.gz GTJZMELEPAWSPR-KZNAEPCWSA-N 1 3 336.524 2.454 20 30 EEEDHO N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000424142785 466989205 /nfs/dbraw/zinc/98/92/05/466989205.db2.gz FGQRPCSQFWNBRM-MSOLQXFVSA-N 1 3 328.460 2.178 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488846370 468108423 /nfs/dbraw/zinc/10/84/23/468108423.db2.gz STKLYJYRDFTCKD-ZHALLVOQSA-N 1 3 348.535 2.399 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000488846370 468108426 /nfs/dbraw/zinc/10/84/26/468108426.db2.gz STKLYJYRDFTCKD-ZHALLVOQSA-N 1 3 348.535 2.399 20 30 EEEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600721427 468633858 /nfs/dbraw/zinc/63/38/58/468633858.db2.gz MGGXJLUHPCDAGK-SJLPKXTDSA-N 1 3 331.460 2.008 20 30 EEEDHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)CN(C)CCC#N)CC1 ZINC000583867105 468767070 /nfs/dbraw/zinc/76/70/70/468767070.db2.gz RWXAWNGAEJGYRF-PXNSSMCTSA-N 1 3 344.503 2.008 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC000995225069 782132334 /nfs/dbraw/zinc/13/23/34/782132334.db2.gz BXVPIBRRJPDSGS-AZUAARDMSA-N 1 3 345.531 2.396 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022202292 676727675 /nfs/dbraw/zinc/72/76/75/676727675.db2.gz WACRICNLQUENNY-IJEWVQPXSA-N 1 3 325.884 2.383 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001022202292 676727674 /nfs/dbraw/zinc/72/76/74/676727674.db2.gz WACRICNLQUENNY-IJEWVQPXSA-N 1 3 325.884 2.383 20 30 EEEDHO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](N2CCCCC2)C1 ZINC000262757947 679551914 /nfs/dbraw/zinc/55/19/14/679551914.db2.gz DZZYRMQRYACUMC-LNLFQRSKSA-N 1 3 336.524 2.063 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@]2(C)C1 ZINC000982642169 681950525 /nfs/dbraw/zinc/95/05/25/681950525.db2.gz QQQNIIZMYGSNHH-IZZBFERCSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@]2(C)C1 ZINC000982642169 681950529 /nfs/dbraw/zinc/95/05/29/681950529.db2.gz QQQNIIZMYGSNHH-IZZBFERCSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@H+]2CC=C)CC1 ZINC001025302414 682408322 /nfs/dbraw/zinc/40/83/22/682408322.db2.gz VBHUJGZRUUFHDO-PMACEKPBSA-N 1 3 343.515 2.363 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC=C)CC1 ZINC001025302414 682408326 /nfs/dbraw/zinc/40/83/26/682408326.db2.gz VBHUJGZRUUFHDO-PMACEKPBSA-N 1 3 343.515 2.363 20 30 EEEDHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261944819 682527419 /nfs/dbraw/zinc/52/74/19/682527419.db2.gz FLUBHFLLVUZADX-QFBILLFUSA-N 1 3 336.524 2.185 20 30 EEEDHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025451519 682785964 /nfs/dbraw/zinc/78/59/64/682785964.db2.gz HRHSLUNXAUAINL-MSOLQXFVSA-N 1 3 331.504 2.102 20 30 EEEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]12 ZINC001026427692 684632592 /nfs/dbraw/zinc/63/25/92/684632592.db2.gz SAXNFEQHDOCHDN-CEXWTWQISA-N 1 3 327.472 2.374 20 30 EEEDHO CO[C@@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262690358 687964685 /nfs/dbraw/zinc/96/46/85/687964685.db2.gz CBOJYRAHZICCFI-QZTJIDSGSA-N 1 3 344.503 2.369 20 30 EEEDHO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@H](C)C1 ZINC001423449564 1187031552 /nfs/dbraw/zinc/03/15/52/1187031552.db2.gz JNLDZPJHBUVFBQ-ZIAGYGMSSA-N 1 3 346.313 2.206 20 30 EEEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105574843 1188188902 /nfs/dbraw/zinc/18/89/02/1188188902.db2.gz JUEHDOYZNGSKGH-GOSISDBHSA-N 1 3 333.520 2.493 20 30 EEEDHO C[C@H](C(=O)NCCNCc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001134750292 1199790926 /nfs/dbraw/zinc/79/09/26/1199790926.db2.gz STXWYIYRYHEWBN-CQSZACIVSA-N 1 3 334.489 2.090 20 30 EEEDHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2c1cccc2C#N ZINC001275368754 1205323407 /nfs/dbraw/zinc/32/34/07/1205323407.db2.gz ZWUOOKJTMMMUPB-OALUTQOASA-N 1 3 337.471 2.250 20 30 EEEDHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2c1cccc2C#N ZINC001275368754 1205323409 /nfs/dbraw/zinc/32/34/09/1205323409.db2.gz ZWUOOKJTMMMUPB-OALUTQOASA-N 1 3 337.471 2.250 20 30 EEEDHO C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)N1CCCC1)CCO2 ZINC000949153658 1209556012 /nfs/dbraw/zinc/55/60/12/1209556012.db2.gz DTKHFXOYJJGDRA-UHFFFAOYSA-N 1 3 349.519 2.130 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338736 1217149015 /nfs/dbraw/zinc/14/90/15/1217149015.db2.gz GXLVZJVYKCMXST-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961338736 1217149016 /nfs/dbraw/zinc/14/90/16/1217149016.db2.gz GXLVZJVYKCMXST-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001040746242 1231355997 /nfs/dbraw/zinc/35/59/97/1231355997.db2.gz XOTUJIDMLFLBPH-RBUKOAKNSA-N 1 3 343.515 2.341 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001040746242 1231356000 /nfs/dbraw/zinc/35/60/00/1231356000.db2.gz XOTUJIDMLFLBPH-RBUKOAKNSA-N 1 3 343.515 2.341 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)C1 ZINC001041584655 1231609018 /nfs/dbraw/zinc/60/90/18/1231609018.db2.gz BWRHIPAQUSAAAI-UYAOXDASSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041584655 1231609021 /nfs/dbraw/zinc/60/90/21/1231609021.db2.gz BWRHIPAQUSAAAI-UYAOXDASSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063461 1231861980 /nfs/dbraw/zinc/86/19/80/1231861980.db2.gz XGUKLRRIHVNXQW-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063461 1231861982 /nfs/dbraw/zinc/86/19/82/1231861982.db2.gz XGUKLRRIHVNXQW-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001045200864 1233576987 /nfs/dbraw/zinc/57/69/87/1233576987.db2.gz SPCQQNQEMQFCLB-LPHOPBHVSA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045944182 1234204265 /nfs/dbraw/zinc/20/42/65/1234204265.db2.gz ZHHDOKNRBKTTRE-IBGZPJMESA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045944182 1234204270 /nfs/dbraw/zinc/20/42/70/1234204270.db2.gz ZHHDOKNRBKTTRE-IBGZPJMESA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045960200 1234234241 /nfs/dbraw/zinc/23/42/41/1234234241.db2.gz GFQUTRJVDIEQIH-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048056843 1237033016 /nfs/dbraw/zinc/03/30/16/1237033016.db2.gz BGJHCPKCMJAPOA-LSDHHAIUSA-N 1 3 346.500 2.042 20 30 EEEDHO C=CCN1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000997829 1241412610 /nfs/dbraw/zinc/41/26/10/1241412610.db2.gz GKMOLLFQWFYINR-UHFFFAOYSA-N 1 3 327.472 2.339 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049677640 1241850350 /nfs/dbraw/zinc/85/03/50/1241850350.db2.gz VNVBBIJEDITEGK-DLBZAZTESA-N 1 3 329.444 2.043 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1CN(C)C ZINC001049677640 1241850356 /nfs/dbraw/zinc/85/03/56/1241850356.db2.gz VNVBBIJEDITEGK-DLBZAZTESA-N 1 3 329.444 2.043 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)CC2)CC1 ZINC001052953753 1245544542 /nfs/dbraw/zinc/54/45/42/1245544542.db2.gz HEKMYRCKXCXTFI-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC001052953753 1245544550 /nfs/dbraw/zinc/54/45/50/1245544550.db2.gz HEKMYRCKXCXTFI-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C=CCCN1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290729 1248024992 /nfs/dbraw/zinc/02/49/92/1248024992.db2.gz WJEQEIPOLXWRTA-UHFFFAOYSA-N 1 3 325.456 2.290 20 30 EEEDHO C=CCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001099597508 1258245800 /nfs/dbraw/zinc/24/58/00/1258245800.db2.gz XETJRXNWYOUBIS-SFHVURJKSA-N 1 3 349.519 2.036 20 30 EEEDHO C=CCOCC[NH2+]C1CC(CNC(=O)CN(C)CCCCCC)C1 ZINC001100764854 1259232455 /nfs/dbraw/zinc/23/24/55/1259232455.db2.gz IMNGZNIZAIICLU-UHFFFAOYSA-N 1 3 339.524 2.186 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191019166 1281177876 /nfs/dbraw/zinc/17/78/76/1281177876.db2.gz KDEFEAYPEJANJM-SFHVURJKSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191019166 1281177880 /nfs/dbraw/zinc/17/78/80/1281177880.db2.gz KDEFEAYPEJANJM-SFHVURJKSA-N 1 3 342.487 2.321 20 30 EEEDHO C=CCCCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886032 1285413013 /nfs/dbraw/zinc/41/30/13/1285413013.db2.gz XFCBCUOMCFTATR-QGZVFWFLSA-N 1 3 333.476 2.360 20 30 EEEDHO C=CCC[NH2+][C@H](CNC(=O)CN(C)CCC)c1ccccc1OC ZINC001198969209 1285450585 /nfs/dbraw/zinc/45/05/85/1285450585.db2.gz SOSKVGDAAOASAM-QGZVFWFLSA-N 1 3 333.476 2.360 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(=C)C)C2)CC1 ZINC001072095418 1295236421 /nfs/dbraw/zinc/23/64/21/1295236421.db2.gz HXTFNCGUMIEWOY-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC(=C)C)C2)CC1 ZINC001072095418 1295236428 /nfs/dbraw/zinc/23/64/28/1295236428.db2.gz HXTFNCGUMIEWOY-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001211307257 1295810805 /nfs/dbraw/zinc/81/08/05/1295810805.db2.gz PYFLPJODHWXGQL-ZIFCJYIRSA-N 1 3 331.504 2.123 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@H]2C)CC1 ZINC001211307257 1295810812 /nfs/dbraw/zinc/81/08/12/1295810812.db2.gz PYFLPJODHWXGQL-ZIFCJYIRSA-N 1 3 331.504 2.123 20 30 EEEDHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001102496184 1301147764 /nfs/dbraw/zinc/14/77/64/1301147764.db2.gz IGAKFGMJXBJMRK-HUUCEWRRSA-N 1 3 348.516 2.146 20 30 EEEDHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001102496184 1301147765 /nfs/dbraw/zinc/14/77/65/1301147765.db2.gz IGAKFGMJXBJMRK-HUUCEWRRSA-N 1 3 348.516 2.146 20 30 EEEDHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001228660651 1302365850 /nfs/dbraw/zinc/36/58/50/1302365850.db2.gz GWDXRFRYVPDDAG-QRVBRYPASA-N 1 3 342.487 2.415 20 30 EEEDHO C[C@@H](C#N)Oc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000799346905 1305234354 /nfs/dbraw/zinc/23/43/54/1305234354.db2.gz TVPPOIUMRNDSTM-INIZCTEOSA-N 1 3 330.476 2.093 20 30 EEEDHO C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CCC ZINC001158780625 1319433143 /nfs/dbraw/zinc/43/31/43/1319433143.db2.gz BEHSONUTKSVIBA-GOSISDBHSA-N 1 3 339.524 2.234 20 30 EEEDHO C=CCOCCN(C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158780625 1319433148 /nfs/dbraw/zinc/43/31/48/1319433148.db2.gz BEHSONUTKSVIBA-GOSISDBHSA-N 1 3 339.524 2.234 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC001161947107 1320689413 /nfs/dbraw/zinc/68/94/13/1320689413.db2.gz YFQBRARGSMQOTP-QGZVFWFLSA-N 1 3 349.494 2.218 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](CC[C@@H](C)F)CC2)CC1 ZINC001161947107 1320689414 /nfs/dbraw/zinc/68/94/14/1320689414.db2.gz YFQBRARGSMQOTP-QGZVFWFLSA-N 1 3 349.494 2.218 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952706 1320692224 /nfs/dbraw/zinc/69/22/24/1320692224.db2.gz JQFDIVZKPGVTNT-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C=C(Br)CNCCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297584 1321090479 /nfs/dbraw/zinc/09/04/79/1321090479.db2.gz QIGRLQNQCKRXNN-UHFFFAOYSA-N 1 3 346.313 2.255 20 30 EEEDHO N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@@](O)(CN)C3)cc2)c1 ZINC001205682300 1323243431 /nfs/dbraw/zinc/24/34/31/1323243431.db2.gz RRFOOXKFKCYLMJ-HXUWFJFHSA-N 1 3 336.439 2.296 20 30 EEEDHO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@@](O)(CN)C3)cc2)c1 ZINC001205682300 1323243438 /nfs/dbraw/zinc/24/34/38/1323243438.db2.gz RRFOOXKFKCYLMJ-HXUWFJFHSA-N 1 3 336.439 2.296 20 30 EEEDHO N#Cc1ccnc(-c2ccc(CN3CCCC[C@@](O)(C[NH3+])C3)cc2)c1 ZINC001205682300 1323243448 /nfs/dbraw/zinc/24/34/48/1323243448.db2.gz RRFOOXKFKCYLMJ-HXUWFJFHSA-N 1 3 336.439 2.296 20 30 EEEDHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2Cl)C1 ZINC001209447060 1324934094 /nfs/dbraw/zinc/93/40/94/1324934094.db2.gz WPQGLMGFARRORV-QGZVFWFLSA-N 1 3 347.890 2.224 20 30 EEEDHO C[NH+](C)CCC(=O)NCC1CC(NCC#Cc2ccc(Cl)cc2)C1 ZINC001100636830 1338580263 /nfs/dbraw/zinc/58/02/63/1338580263.db2.gz MOWGMQYEKNRKNS-UHFFFAOYSA-N 1 3 347.890 2.128 20 30 EEEDHO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001357572678 1373216848 /nfs/dbraw/zinc/21/68/48/1373216848.db2.gz JRXILPVHCPXHMV-RTBURBONSA-N 1 3 345.487 2.077 20 30 EEEDHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1)CC(C)(C)C ZINC001370519337 1374972500 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EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458274 760844575 /nfs/dbraw/zinc/84/45/75/760844575.db2.gz AGZNUPGCZKEMAF-OALUTQOASA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458274 760844588 /nfs/dbraw/zinc/84/45/88/760844588.db2.gz AGZNUPGCZKEMAF-OALUTQOASA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638422 773643903 /nfs/dbraw/zinc/64/39/03/773643903.db2.gz BRZMOPDRNULBPN-ROUUACIJSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001089638422 773643905 /nfs/dbraw/zinc/64/39/05/773643905.db2.gz BRZMOPDRNULBPN-ROUUACIJSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251722 774191547 /nfs/dbraw/zinc/19/15/47/774191547.db2.gz GCUIFWIAONSPQL-HSALFYBXSA-N 1 3 345.531 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]3C2)CC1 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C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902500 796440771 /nfs/dbraw/zinc/44/07/71/796440771.db2.gz LLWYTPJILQQRMG-UXHICEINSA-N 1 3 339.483 2.308 20 30 EEEDHO CCCN(C)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001171757677 796721901 /nfs/dbraw/zinc/72/19/01/796721901.db2.gz MRCCACJDXWXIFS-UHFFFAOYSA-N 1 3 335.879 2.129 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC3CC3)C23CCC3)CC1 ZINC001078820008 797025587 /nfs/dbraw/zinc/02/55/87/797025587.db2.gz TZXIUDURYBXSLR-RTBURBONSA-N 1 3 343.515 2.149 20 30 EEEDHO C=C(C)CN1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150817880 799580577 /nfs/dbraw/zinc/58/05/77/799580577.db2.gz IMPBBWANQKCQLS-GOSISDBHSA-N 1 3 337.508 2.036 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC2CCC2)CC1 ZINC001085986649 801839929 /nfs/dbraw/zinc/83/99/29/801839929.db2.gz KBCNGRUVGOCPIF-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC2CCC2)CC1 ZINC001085986649 801839936 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/nfs/dbraw/zinc/92/46/64/784924664.db2.gz DQQUNAQKWXTRHU-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO C=CCCC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH]cn1)C[C@@H](C)O2 ZINC001111550472 805830754 /nfs/dbraw/zinc/83/07/54/805830754.db2.gz CEZULWONZLMQAT-MRXNPFEDSA-N 1 3 346.475 2.000 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001086951230 793082044 /nfs/dbraw/zinc/08/20/44/793082044.db2.gz YBVSSRYZBZQAAO-LJQANCHMSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091805023 793276784 /nfs/dbraw/zinc/27/67/84/793276784.db2.gz ZKRWHBARVXDZOE-UTKZUKDTSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC001091805023 793276793 /nfs/dbraw/zinc/27/67/93/793276793.db2.gz ZKRWHBARVXDZOE-UTKZUKDTSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012958 793505714 /nfs/dbraw/zinc/50/57/14/793505714.db2.gz FDNHWTHBNDHIAR-UXPWSPDFSA-N 1 3 349.494 2.003 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@]2(C)C1 ZINC001092012958 793505721 /nfs/dbraw/zinc/50/57/21/793505721.db2.gz FDNHWTHBNDHIAR-UXPWSPDFSA-N 1 3 349.494 2.003 20 30 EEEDHO CC#CCN1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992374726 793868062 /nfs/dbraw/zinc/86/80/62/793868062.db2.gz YFIXOSCFPHFTKR-ICSRJNTNSA-N 1 3 331.504 2.243 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC000999434392 794457736 /nfs/dbraw/zinc/45/77/36/794457736.db2.gz MUVIMVNVRNMIGN-OALUTQOASA-N 1 3 342.487 2.225 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001079311343 794601992 /nfs/dbraw/zinc/60/19/92/794601992.db2.gz VZEBOLAZZNCXCK-JQHSSLGASA-N 1 3 333.451 2.236 20 30 EEEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700951 795119272 /nfs/dbraw/zinc/11/92/72/795119272.db2.gz QOLSGVFFTQWOMB-ZIFCJYIRSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700951 795119275 /nfs/dbraw/zinc/11/92/75/795119275.db2.gz QOLSGVFFTQWOMB-ZIFCJYIRSA-N 1 3 331.504 2.101 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001081179775 796679376 /nfs/dbraw/zinc/67/93/76/796679376.db2.gz JNQIPLWHYXWMEU-YTQUADARSA-N 1 3 327.472 2.241 20 30 EEEDHO C#CCCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC000993803911 797031784 /nfs/dbraw/zinc/03/17/84/797031784.db2.gz JVPSOQXACGGVCB-PXNSSMCTSA-N 1 3 341.499 2.397 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001094938014 797058887 /nfs/dbraw/zinc/05/88/87/797058887.db2.gz SBCDMOBJOFONDR-DZKIICNBSA-N 1 3 325.884 2.192 20 30 EEEDHO C#CCCN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994201170 797401602 /nfs/dbraw/zinc/40/16/02/797401602.db2.gz IAQOWGAPSPMFJZ-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504677 798104095 /nfs/dbraw/zinc/10/40/95/798104095.db2.gz XWGLXKUVCIZRIK-HKUYNNGSSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)[C@H]2C)CC1 ZINC000994504677 798104097 /nfs/dbraw/zinc/10/40/97/798104097.db2.gz XWGLXKUVCIZRIK-HKUYNNGSSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545876 798314833 /nfs/dbraw/zinc/31/48/33/798314833.db2.gz WVQGMKPDGJBYKH-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545876 798314841 /nfs/dbraw/zinc/31/48/41/798314841.db2.gz WVQGMKPDGJBYKH-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431179 799919655 /nfs/dbraw/zinc/91/96/55/799919655.db2.gz PONFSBSXWNOXCF-BBRMVZONSA-N 1 3 346.500 2.041 20 30 EEEDHO CCN(CC)CC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180391463 800392931 /nfs/dbraw/zinc/39/29/31/800392931.db2.gz SJKUNUVAOKLXSU-WGSAOQKQSA-N 1 3 342.487 2.499 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540886 802331156 /nfs/dbraw/zinc/33/11/56/802331156.db2.gz USQURRRMDMCPJL-RBUKOAKNSA-N 1 3 333.520 2.299 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540886 802331165 /nfs/dbraw/zinc/33/11/65/802331165.db2.gz USQURRRMDMCPJL-RBUKOAKNSA-N 1 3 333.520 2.299 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001086253417 802615064 /nfs/dbraw/zinc/61/50/64/802615064.db2.gz GAQABJVSTLVGHZ-CAOSSQGBSA-N 1 3 327.900 2.344 20 30 EEEDHO C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001108688344 804355537 /nfs/dbraw/zinc/35/55/37/804355537.db2.gz YVEGJBCKDDTKKZ-BZSNNMDCSA-N 1 3 331.504 2.243 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959257 1091651939 /nfs/dbraw/zinc/65/19/39/1091651939.db2.gz HZAZWLFIIZOFNB-MOPGFXCFSA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC001447635298 1103006879 /nfs/dbraw/zinc/00/68/79/1103006879.db2.gz MZRUXEPLZGEJPA-LPHOPBHVSA-N 1 3 342.487 2.369 20 30 EEEDHO C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001506872352 1114942539 /nfs/dbraw/zinc/94/25/39/1114942539.db2.gz PDZFNKMHKCLENP-ZWKOTPCHSA-N 1 3 349.519 2.034 20 30 EEEDHO C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000349989611 533237259 /nfs/dbraw/zinc/23/72/59/533237259.db2.gz HFGUHQSRWNBZGM-RHSMWYFYSA-N 1 3 326.444 2.333 20 30 EEEDHO C#Cc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000289202000 464070234 /nfs/dbraw/zinc/07/02/34/464070234.db2.gz HVFRDLJMKIPGTL-UHFFFAOYSA-N 1 3 334.467 2.365 20 30 EEEDHO CC[C@@H](C)NC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000264105565 464283590 /nfs/dbraw/zinc/28/35/90/464283590.db2.gz PJTCECYRKSUEEI-QGZVFWFLSA-N 1 3 331.508 2.292 20 30 EEEDHO COCCN(C)CCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266971264 464890371 /nfs/dbraw/zinc/89/03/71/464890371.db2.gz FSKJAJYTGRGLCS-UHFFFAOYSA-N 1 3 346.397 2.078 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000417057629 466766650 /nfs/dbraw/zinc/76/66/50/466766650.db2.gz BUTUMQYOLBVJMA-ZSYWTGECSA-N 1 3 348.535 2.454 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000417518569 466875087 /nfs/dbraw/zinc/87/50/87/466875087.db2.gz CINBLWQYOMYYAW-QGZVFWFLSA-N 1 3 334.508 2.058 20 30 EEEDHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424125943 466985108 /nfs/dbraw/zinc/98/51/08/466985108.db2.gz AYAHZDGEQXUOMO-GOSISDBHSA-N 1 3 328.460 2.097 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000574906268 468132640 /nfs/dbraw/zinc/13/26/40/468132640.db2.gz KFCCPJGTNSTMRX-RBUKOAKNSA-N 1 3 342.487 2.163 20 30 EEEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000614403312 469932119 /nfs/dbraw/zinc/93/21/19/469932119.db2.gz QZSWNLFAYCWYIS-YLJYHZDGSA-N 1 3 326.488 2.325 20 30 EEEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000614403312 469932122 /nfs/dbraw/zinc/93/21/22/469932122.db2.gz QZSWNLFAYCWYIS-YLJYHZDGSA-N 1 3 326.488 2.325 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001025630812 683168502 /nfs/dbraw/zinc/16/85/02/683168502.db2.gz WSLBGJWGIAFVOT-IEBWSBKVSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCC=C)C2)CC1 ZINC001025630812 683168505 /nfs/dbraw/zinc/16/85/05/683168505.db2.gz WSLBGJWGIAFVOT-IEBWSBKVSA-N 1 3 331.504 2.124 20 30 EEEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262378161 685700073 /nfs/dbraw/zinc/70/00/73/685700073.db2.gz JWUQRCQIMRUDSK-RCCFBDPRSA-N 1 3 348.535 2.396 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027461714 692203384 /nfs/dbraw/zinc/20/33/84/692203384.db2.gz NWHHXCLKWZSBRC-RTBURBONSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027461714 692203388 /nfs/dbraw/zinc/20/33/88/692203388.db2.gz NWHHXCLKWZSBRC-RTBURBONSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCC[C@H](C)C1 ZINC000086230677 692385369 /nfs/dbraw/zinc/38/53/69/692385369.db2.gz RGPJZMGCXBGCRS-KRWDZBQOSA-N 1 3 336.524 2.329 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC2(C)C)CC1 ZINC000977652029 692881062 /nfs/dbraw/zinc/88/10/62/692881062.db2.gz HPIDHIPIOAXAJK-SFHVURJKSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC2(C)C)CC1 ZINC000977652029 692881068 /nfs/dbraw/zinc/88/10/68/692881068.db2.gz HPIDHIPIOAXAJK-SFHVURJKSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028768 1193333183 /nfs/dbraw/zinc/33/31/83/1193333183.db2.gz MSSWCPFFPASDEU-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028768 1193333186 /nfs/dbraw/zinc/33/31/86/1193333186.db2.gz MSSWCPFFPASDEU-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO C[NH+](C)CC(C)(C)CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272869758 1193585738 /nfs/dbraw/zinc/58/57/38/1193585738.db2.gz BDBGIDUJMJXANV-LJQANCHMSA-N 1 3 334.508 2.335 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132832230 1200095587 /nfs/dbraw/zinc/09/55/87/1200095587.db2.gz UDQHPURSLULSST-MSOLQXFVSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037983513 1220878790 /nfs/dbraw/zinc/87/87/90/1220878790.db2.gz NKCLANDPOFJHKO-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000968326084 1221210595 /nfs/dbraw/zinc/21/05/95/1221210595.db2.gz CRFGNIIIIKQINK-XLIONFOSSA-N 1 3 341.499 2.254 20 30 EEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000968990841 1221723639 /nfs/dbraw/zinc/72/36/39/1221723639.db2.gz OQQAWKXPHGCAPV-RBUKOAKNSA-N 1 3 333.520 2.493 20 30 EEEDHO CC#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990841 1221723643 /nfs/dbraw/zinc/72/36/43/1221723643.db2.gz OQQAWKXPHGCAPV-RBUKOAKNSA-N 1 3 333.520 2.493 20 30 EEEDHO CC#CCN1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001016908391 1226962125 /nfs/dbraw/zinc/96/21/25/1226962125.db2.gz YNOCPXMQBFFLAO-SFHVURJKSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC2CCC2)CC3)CC1 ZINC001016983969 1227013711 /nfs/dbraw/zinc/01/37/11/1227013711.db2.gz AXNODDDPBDTTRN-LJQANCHMSA-N 1 3 343.515 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC=C(C)C)CC3)CC1 ZINC001016983956 1227013968 /nfs/dbraw/zinc/01/39/68/1227013968.db2.gz ASRVTKRHSBXOPM-LJQANCHMSA-N 1 3 343.515 2.269 20 30 EEEDHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001054729788 1248946056 /nfs/dbraw/zinc/94/60/56/1248946056.db2.gz BZOIEORVJPICCC-CJNGLKHVSA-N 1 3 346.500 2.041 20 30 EEEDHO C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN1C ZINC001039270574 1230501905 /nfs/dbraw/zinc/50/19/05/1230501905.db2.gz MLQBMWHMVSFCQI-WTXIUTQJSA-N 1 3 325.884 2.335 20 30 EEEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542458 1231283978 /nfs/dbraw/zinc/28/39/78/1231283978.db2.gz IVRLZFNTMUNDIK-HXUWFJFHSA-N 1 3 331.504 2.200 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545640 1231286579 /nfs/dbraw/zinc/28/65/79/1231286579.db2.gz TWHVRWCJZGACMH-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040545640 1231286582 /nfs/dbraw/zinc/28/65/82/1231286582.db2.gz TWHVRWCJZGACMH-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817530 1231378636 /nfs/dbraw/zinc/37/86/36/1231378636.db2.gz SRDLCJJYWUHXBK-SFHVURJKSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817530 1231378639 /nfs/dbraw/zinc/37/86/39/1231378639.db2.gz SRDLCJJYWUHXBK-SFHVURJKSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C2)C1 ZINC001041782582 1231691967 /nfs/dbraw/zinc/69/19/67/1231691967.db2.gz AQFGJVQUQRTPPC-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041782582 1231691968 /nfs/dbraw/zinc/69/19/68/1231691968.db2.gz AQFGJVQUQRTPPC-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001047241712 1235728825 /nfs/dbraw/zinc/72/88/25/1235728825.db2.gz SWXRCUJFJUVXKI-PMACEKPBSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCN1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001047241712 1235728832 /nfs/dbraw/zinc/72/88/32/1235728832.db2.gz SWXRCUJFJUVXKI-PMACEKPBSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047245563 1235738781 /nfs/dbraw/zinc/73/87/81/1235738781.db2.gz ZVQAPUPPEJJLLD-PMACEKPBSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001049662911 1241808692 /nfs/dbraw/zinc/80/86/92/1241808692.db2.gz JRTKFOIZMWYTOM-CEXWTWQISA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049662911 1241808699 /nfs/dbraw/zinc/80/86/99/1241808699.db2.gz JRTKFOIZMWYTOM-CEXWTWQISA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768367 1242136054 /nfs/dbraw/zinc/13/60/54/1242136054.db2.gz VYGBVQXXLKKPJP-CEXWTWQISA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768367 1242136059 /nfs/dbraw/zinc/13/60/59/1242136059.db2.gz VYGBVQXXLKKPJP-CEXWTWQISA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245056 1247861328 /nfs/dbraw/zinc/86/13/28/1247861328.db2.gz NVSGIDWHEAQVRV-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245056 1247861344 /nfs/dbraw/zinc/86/13/44/1247861344.db2.gz NVSGIDWHEAQVRV-UYAOXDASSA-N 1 3 331.504 2.199 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001099288902 1258064201 /nfs/dbraw/zinc/06/42/01/1258064201.db2.gz WFBFEQUUGBQWGD-CHWSQXEVSA-N 1 3 333.398 2.026 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099556030 1258205838 /nfs/dbraw/zinc/20/58/38/1258205838.db2.gz FCTMUSRIGUSOBX-OKYOBFRVSA-N 1 3 333.520 2.462 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C(C)C ZINC001099556030 1258205845 /nfs/dbraw/zinc/20/58/45/1258205845.db2.gz FCTMUSRIGUSOBX-OKYOBFRVSA-N 1 3 333.520 2.462 20 30 EEEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001073634455 1297332627 /nfs/dbraw/zinc/33/26/27/1297332627.db2.gz SFLOMLFZJFHAMI-MOPGFXCFSA-N 1 3 349.519 2.177 20 30 EEEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001073634455 1297332640 /nfs/dbraw/zinc/33/26/40/1297332640.db2.gz SFLOMLFZJFHAMI-MOPGFXCFSA-N 1 3 349.519 2.177 20 30 EEEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001218910877 1297860418 /nfs/dbraw/zinc/86/04/18/1297860418.db2.gz RUXUNIUUGNVKQC-LBPRGKRZSA-N 1 3 331.445 2.166 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCCCC)CC2)CC1 ZINC001225563302 1301062375 /nfs/dbraw/zinc/06/23/75/1301062375.db2.gz ASDCTCVUKHSGAI-UHFFFAOYSA-N 1 3 333.520 2.350 20 30 EEEDHO CC#CCN1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001225571052 1301068757 /nfs/dbraw/zinc/06/87/57/1301068757.db2.gz HEYCRLYLNWCVQR-IBGZPJMESA-N 1 3 333.520 2.348 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703141 1301934777 /nfs/dbraw/zinc/93/47/77/1301934777.db2.gz CCVMVHHFFKAHHE-QRVBRYPASA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001230266609 1303133601 /nfs/dbraw/zinc/13/36/01/1303133601.db2.gz PYLQSHPIKGGFTK-RTBURBONSA-N 1 3 327.472 2.402 20 30 EEEDHO C#CCN(CC1CC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001118312791 1306342473 /nfs/dbraw/zinc/34/24/73/1306342473.db2.gz KTAJRVPAPTZIBF-UHFFFAOYSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001202930380 1314738985 /nfs/dbraw/zinc/73/89/85/1314738985.db2.gz ULJWJMBAELIHMN-IRXDYDNUSA-N 1 3 331.504 2.291 20 30 EEEDHO N#Cc1ccc(CNCCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001151361899 1316512959 /nfs/dbraw/zinc/51/29/59/1316512959.db2.gz PHQGGZHQXYTARH-UHFFFAOYSA-N 1 3 328.460 2.030 20 30 EEEDHO NC(=O)c1ccc(C(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC001256601739 1318797501 /nfs/dbraw/zinc/79/75/01/1318797501.db2.gz ZJOLDSSWAOHVIT-UHFFFAOYSA-N 1 3 336.439 2.155 20 30 EEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)CN(C)CCC)(COC)CC1 ZINC001162585361 1320904436 /nfs/dbraw/zinc/90/44/36/1320904436.db2.gz HAVRRQJAHGAZSO-UHFFFAOYSA-N 1 3 339.524 2.139 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832223 1320970313 /nfs/dbraw/zinc/97/03/13/1320970313.db2.gz LOEICBFIWCIGSH-HXUWFJFHSA-N 1 3 341.499 2.011 20 30 EEEDHO CC#CCNCCN(CCc1ccccc1)C(=O)CC[N@@H+](C)CCC ZINC001162987766 1321006038 /nfs/dbraw/zinc/00/60/38/1321006038.db2.gz XKJNGYAMUQWJDQ-UHFFFAOYSA-N 1 3 343.515 2.403 20 30 EEEDHO CC#CCNCCN(CCc1ccccc1)C(=O)CC[N@H+](C)CCC ZINC001162987766 1321006041 /nfs/dbraw/zinc/00/60/41/1321006041.db2.gz XKJNGYAMUQWJDQ-UHFFFAOYSA-N 1 3 343.515 2.403 20 30 EEEDHO CN(C)/C=N/c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1C#N ZINC001163286201 1321088344 /nfs/dbraw/zinc/08/83/44/1321088344.db2.gz ZQAFQLIGXBIENP-VVFLTNOZSA-N 1 3 341.459 2.350 20 30 EEEDHO CN(C)/C=N/c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc1C#N ZINC001163650096 1321181194 /nfs/dbraw/zinc/18/11/94/1321181194.db2.gz KEPUWHTWNOLLCE-GGVUYJIWSA-N 1 3 341.459 2.493 20 30 EEEDHO Cn1cc(CN2CCC3(C2)CC[NH+](CC2(C)COC2)CC3)cc1C#N ZINC001276415710 1321940804 /nfs/dbraw/zinc/94/08/04/1321940804.db2.gz QGRLGPQRLSEICL-UHFFFAOYSA-N 1 3 342.487 2.221 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206953563 1323739419 /nfs/dbraw/zinc/73/94/19/1323739419.db2.gz SHGJAPRNTKYAJU-UHFFFAOYSA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001567240760 1342715396 /nfs/dbraw/zinc/71/53/96/1342715396.db2.gz PJBHRSBUCDGCMI-KRWDZBQOSA-N 1 3 333.520 2.396 20 30 EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCCO1 ZINC001200510720 1373042496 /nfs/dbraw/zinc/04/24/96/1373042496.db2.gz SFBYTAVFNKYWPF-KRWDZBQOSA-N 1 3 337.508 2.034 20 30 EEEDHO C[C@@H](CCNC(=O)CN1CCC(C)CC1)[NH2+]Cc1ccccc1C#N ZINC001366488040 1373916319 /nfs/dbraw/zinc/91/63/19/1373916319.db2.gz MREXJNLROPYIRC-KRWDZBQOSA-N 1 3 342.487 2.275 20 30 EEEDHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067781 1388427770 /nfs/dbraw/zinc/42/77/70/1388427770.db2.gz VANGEAIVQCVJNB-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001390067781 1388427775 /nfs/dbraw/zinc/42/77/75/1388427775.db2.gz VANGEAIVQCVJNB-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO CN(Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001390626779 1388705855 /nfs/dbraw/zinc/70/58/55/1388705855.db2.gz OZADAOIIKLJXCK-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001398196360 1391802396 /nfs/dbraw/zinc/80/23/96/1391802396.db2.gz CLZGBEFZBSQRRJ-ZBFHGGJFSA-N 1 3 327.900 2.440 20 30 EEEDHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CC1)N(C)C ZINC001398453869 1392776439 /nfs/dbraw/zinc/77/64/39/1392776439.db2.gz NUWZGZMYTQBWCR-ROUUACIJSA-N 1 3 346.450 2.022 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001402852688 1398241463 /nfs/dbraw/zinc/24/14/63/1398241463.db2.gz DSQDPXJGSOOWIF-KSSFIOAISA-N 1 3 348.466 2.268 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001422586559 1400052435 /nfs/dbraw/zinc/05/24/35/1400052435.db2.gz BCMSKHHKDJOJBD-YJBOKZPZSA-N 1 3 330.476 2.081 20 30 EEEDHO C=C(Br)CNCC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167636798 760791328 /nfs/dbraw/zinc/79/13/28/760791328.db2.gz VSHIGPZIBGTJLK-UHFFFAOYSA-N 1 3 346.313 2.113 20 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ZINC000982305993 779657569 /nfs/dbraw/zinc/65/75/69/779657569.db2.gz CLUDEUJVPXXXLL-JYAXBFRTSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@]2(C)C1 ZINC000982305993 779657574 /nfs/dbraw/zinc/65/75/74/779657574.db2.gz CLUDEUJVPXXXLL-JYAXBFRTSA-N 1 3 343.515 2.197 20 30 EEEDHO C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@@H+](C)CC ZINC001099542074 781735900 /nfs/dbraw/zinc/73/59/00/781735900.db2.gz AQQOLRZECZZPAJ-YVSFHVDLSA-N 1 3 339.911 2.250 20 30 EEEDHO C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099542074 781735908 /nfs/dbraw/zinc/73/59/08/781735908.db2.gz AQQOLRZECZZPAJ-YVSFHVDLSA-N 1 3 339.911 2.250 20 30 EEEDHO C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396181 781906991 /nfs/dbraw/zinc/90/69/91/781906991.db2.gz IVPLSRNIBGEROH-FQEVSTJZSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396181 781906998 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2.055 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904528 789622274 /nfs/dbraw/zinc/62/22/74/789622274.db2.gz IMHLHKQVMMVOFR-CEXWTWQISA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998091503 791946227 /nfs/dbraw/zinc/94/62/27/791946227.db2.gz BYPCOTFIJGXQNR-GBESFXJTSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998091503 791946228 /nfs/dbraw/zinc/94/62/28/791946228.db2.gz BYPCOTFIJGXQNR-GBESFXJTSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927107 793006213 /nfs/dbraw/zinc/00/62/13/793006213.db2.gz SEVNIVYOPDJBMQ-QGZVFWFLSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540449 794436210 /nfs/dbraw/zinc/43/62/10/794436210.db2.gz XEJAWTPCROLKOD-ZVDOUQERSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C 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NDTIMGULEJYQAL-OWCLPIDISA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086217083 802520474 /nfs/dbraw/zinc/52/04/74/802520474.db2.gz NDTIMGULEJYQAL-OWCLPIDISA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109359286 805359080 /nfs/dbraw/zinc/35/90/80/805359080.db2.gz FPGVLXJGHCAMKZ-QZWWFDLISA-N 1 3 325.472 2.354 20 30 EEEDHO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109359286 805359091 /nfs/dbraw/zinc/35/90/91/805359091.db2.gz FPGVLXJGHCAMKZ-QZWWFDLISA-N 1 3 325.472 2.354 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130430538 811629074 /nfs/dbraw/zinc/62/90/74/811629074.db2.gz CBABBBMLTKVXOL-MRXNPFEDSA-N 1 3 347.507 2.123 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130430538 811629081 /nfs/dbraw/zinc/62/90/81/811629081.db2.gz CBABBBMLTKVXOL-MRXNPFEDSA-N 1 3 347.507 2.123 20 30 EEEDHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000487746983 285281167 /nfs/dbraw/zinc/28/11/67/285281167.db2.gz DXIBDFLKHCLDOR-AWEZNQCLSA-N 1 3 334.489 2.108 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](O)C3CCCCC3)CC2)CC1 ZINC000328606566 465068144 /nfs/dbraw/zinc/06/81/44/465068144.db2.gz KMXWEECRDZHTAX-GOSISDBHSA-N 1 3 337.508 2.443 20 30 EEEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081566 464280943 /nfs/dbraw/zinc/28/09/43/464280943.db2.gz HPBXNTQFBABLRI-KRWDZBQOSA-N 1 3 331.508 2.304 20 30 EEEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCC1(C#N)CCOCC1 ZINC000368531341 466661924 /nfs/dbraw/zinc/66/19/24/466661924.db2.gz UTIPAKFZDDHHNX-KZNAEPCWSA-N 1 3 335.492 2.270 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000422163372 466668315 /nfs/dbraw/zinc/66/83/15/466668315.db2.gz FPWGHRGWWHZNCZ-QZTJIDSGSA-N 1 3 336.524 2.421 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)C(C)C ZINC000422163372 466668318 /nfs/dbraw/zinc/66/83/18/466668318.db2.gz FPWGHRGWWHZNCZ-QZTJIDSGSA-N 1 3 336.524 2.421 20 30 EEEDHO C=C(C)C[NH+]1CCC(NC[C@@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000577602847 468188632 /nfs/dbraw/zinc/18/86/32/468188632.db2.gz QCQJJZBTOVWBTG-LJQANCHMSA-N 1 3 346.471 2.259 20 30 EEEDHO C[NH+](C)CC[C@@H](NC[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722502 468634815 /nfs/dbraw/zinc/63/48/15/468634815.db2.gz GLHRFAQADFIDMU-FUHWJXTLSA-N 1 3 333.476 2.254 20 30 EEEDHO CN1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507502 468881728 /nfs/dbraw/zinc/88/17/28/468881728.db2.gz PDDSJUAOFHTQJU-QGZVFWFLSA-N 1 3 332.473 2.366 20 30 EEEDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000595507502 468881732 /nfs/dbraw/zinc/88/17/32/468881732.db2.gz PDDSJUAOFHTQJU-QGZVFWFLSA-N 1 3 332.473 2.366 20 30 EEEDHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1)CN1CCCCC1 ZINC000574032831 469248629 /nfs/dbraw/zinc/24/86/29/469248629.db2.gz YFJJPUHBUOXOKW-HKUYNNGSSA-N 1 3 345.487 2.204 20 30 EEEDHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740860 676400253 /nfs/dbraw/zinc/40/02/53/676400253.db2.gz WTLDJJQLFZVEMB-OALUTQOASA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479949 679963037 /nfs/dbraw/zinc/96/30/37/679963037.db2.gz VEJDERXIJPGGRP-MOPGFXCFSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479949 679963040 /nfs/dbraw/zinc/96/30/40/679963040.db2.gz VEJDERXIJPGGRP-MOPGFXCFSA-N 1 3 331.504 2.387 20 30 EEEDHO CCN(CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)=[NH+]C)C1 ZINC000261849032 681745655 /nfs/dbraw/zinc/74/56/55/681745655.db2.gz WZVDRDSFQHDMJK-XMTFNYHQSA-N 1 3 348.535 2.326 20 30 EEEDHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)CN(C)C1CCC1 ZINC000986352099 688524363 /nfs/dbraw/zinc/52/43/63/688524363.db2.gz FTNOZZPBICCPFK-DYVFJYSZSA-N 1 3 346.500 2.183 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001040241290 692086243 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2.345 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728012 1191487481 /nfs/dbraw/zinc/48/74/81/1191487481.db2.gz XPAXGMVPDCWQPB-LJQANCHMSA-N 1 3 342.487 2.371 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001484728012 1191487482 /nfs/dbraw/zinc/48/74/82/1191487482.db2.gz XPAXGMVPDCWQPB-LJQANCHMSA-N 1 3 342.487 2.371 20 30 EEEDHO CN(C)CC1(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CCCC1 ZINC001273137358 1196728588 /nfs/dbraw/zinc/72/85/88/1196728588.db2.gz RGZOAXUSPKXHCY-HXUWFJFHSA-N 1 3 346.519 2.479 20 30 EEEDHO CN(C)CC1(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CCCC1 ZINC001273137358 1196728590 /nfs/dbraw/zinc/72/85/90/1196728590.db2.gz RGZOAXUSPKXHCY-HXUWFJFHSA-N 1 3 346.519 2.479 20 30 EEEDHO C[C@H](C[C@@H](C)[NH2+]CC#Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134582989 1199672242 /nfs/dbraw/zinc/67/22/42/1199672242.db2.gz CNVKFUORBAYHKH-QZTJIDSGSA-N 1 3 341.499 2.395 20 30 EEEDHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN(C)C1CCC1 ZINC001134613935 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20 30 EEEDHO C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180485 1217073839 /nfs/dbraw/zinc/07/38/39/1217073839.db2.gz HKESATFYSWNGAI-ROUUACIJSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961180485 1217073840 /nfs/dbraw/zinc/07/38/40/1217073840.db2.gz HKESATFYSWNGAI-ROUUACIJSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961374151 1217162872 /nfs/dbraw/zinc/16/28/72/1217162872.db2.gz JWJYSCBNNKSHDD-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961374151 1217162874 /nfs/dbraw/zinc/16/28/74/1217162874.db2.gz JWJYSCBNNKSHDD-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961377981 1217165468 /nfs/dbraw/zinc/16/54/68/1217165468.db2.gz JJRATWNIPVTAPF-RBUKOAKNSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961377981 1217165469 /nfs/dbraw/zinc/16/54/69/1217165469.db2.gz JJRATWNIPVTAPF-RBUKOAKNSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411336 1217179611 /nfs/dbraw/zinc/17/96/11/1217179611.db2.gz LSVQDLHNSSXCKV-AZUAARDMSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411336 1217179613 /nfs/dbraw/zinc/17/96/13/1217179613.db2.gz LSVQDLHNSSXCKV-AZUAARDMSA-N 1 3 345.531 2.302 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001020214025 1229558148 /nfs/dbraw/zinc/55/81/48/1229558148.db2.gz DWIANIIMWURDAI-MGPQQGTHSA-N 1 3 344.297 2.006 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001020214025 1229558151 /nfs/dbraw/zinc/55/81/51/1229558151.db2.gz DWIANIIMWURDAI-MGPQQGTHSA-N 1 3 344.297 2.006 20 30 EEEDHO C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182212 1230409802 /nfs/dbraw/zinc/40/98/02/1230409802.db2.gz 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EEEDHO C=CCC[NH+]1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)C[C@@H](C)O2 ZINC001098605220 765088374 /nfs/dbraw/zinc/08/83/74/765088374.db2.gz GYXAJNHMPVGDLL-QGZVFWFLSA-N 1 3 349.519 2.129 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530880 782632792 /nfs/dbraw/zinc/63/27/92/782632792.db2.gz XTNCBJMLOHRCRV-PXNSSMCTSA-N 1 3 341.499 2.254 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712477 770929121 /nfs/dbraw/zinc/92/91/21/770929121.db2.gz MUFBCCJVTXLNPN-GBESFXJTSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712477 770929124 /nfs/dbraw/zinc/92/91/24/770929124.db2.gz MUFBCCJVTXLNPN-GBESFXJTSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088166549 783011175 /nfs/dbraw/zinc/01/11/75/783011175.db2.gz HBFVOFVXCHAGIM-QYZOEREBSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]2C1 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C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000996995722 788395005 /nfs/dbraw/zinc/39/50/05/788395005.db2.gz PMTCOJJAMPJPEJ-MRXNPFEDSA-N 1 3 340.471 2.123 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997192047 789415987 /nfs/dbraw/zinc/41/59/87/789415987.db2.gz UMKZBDQLBVJGBY-MJGOQNOKSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000997192047 789415990 /nfs/dbraw/zinc/41/59/90/789415990.db2.gz UMKZBDQLBVJGBY-MJGOQNOKSA-N 1 3 333.520 2.347 20 30 EEEDHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001147823917 791981981 /nfs/dbraw/zinc/98/19/81/791981981.db2.gz GPUBPNJOPGLMMS-WBVHZDCISA-N 1 3 346.450 2.024 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC000998284425 792464222 /nfs/dbraw/zinc/46/42/22/792464222.db2.gz GWNBDKQXQPDHFY-HUUCEWRRSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001086938324 793023048 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331.504 2.245 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430776 796222419 /nfs/dbraw/zinc/22/24/19/796222419.db2.gz WAFVQRAFKBHZNC-NLWGTHIKSA-N 1 3 331.504 2.245 20 30 EEEDHO C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082059526 797145988 /nfs/dbraw/zinc/14/59/88/797145988.db2.gz SGNCSEQEKDYXMS-CEXWTWQISA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001082059526 797145993 /nfs/dbraw/zinc/14/59/93/797145993.db2.gz SGNCSEQEKDYXMS-CEXWTWQISA-N 1 3 349.519 2.175 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001150332203 797700200 /nfs/dbraw/zinc/70/02/00/797700200.db2.gz GZLJUFFTMCLGDI-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001150332203 797700203 /nfs/dbraw/zinc/70/02/03/797700203.db2.gz GZLJUFFTMCLGDI-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)[C@H]2C)CC1 ZINC000994494876 798094268 /nfs/dbraw/zinc/09/42/68/798094268.db2.gz FWDNIIRKHKWIGA-LPHOPBHVSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)[C@H]2C)CC1 ZINC000994494876 798094275 /nfs/dbraw/zinc/09/42/75/798094275.db2.gz FWDNIIRKHKWIGA-LPHOPBHVSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)CC1 ZINC001176737979 798542998 /nfs/dbraw/zinc/54/29/98/798542998.db2.gz OJPOCSQEBHPVKP-DIEDAUMRSA-N 1 3 339.911 2.349 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578224 802079968 /nfs/dbraw/zinc/07/99/68/802079968.db2.gz SJHYEZJNLFAANG-ZFWWWQNUSA-N 1 3 327.900 2.297 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001086221520 802530742 /nfs/dbraw/zinc/53/07/42/802530742.db2.gz XKQFSLWSTLCDDT-QKPAOTATSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086221520 802530745 /nfs/dbraw/zinc/53/07/45/802530745.db2.gz XKQFSLWSTLCDDT-QKPAOTATSA-N 1 3 325.884 2.240 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC001086558374 807208895 /nfs/dbraw/zinc/20/88/95/807208895.db2.gz ISCZVICCSRARGS-SAABIXHNSA-N 1 3 345.512 2.078 20 30 EEEDHO CC[NH+](CC)CCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280788964 266112976 /nfs/dbraw/zinc/11/29/76/266112976.db2.gz FLONUFHZANDRTJ-GOSISDBHSA-N 1 3 326.444 2.479 20 30 EEEDHO CCN1CCN(CCCCNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000264086904 464281400 /nfs/dbraw/zinc/28/14/00/464281400.db2.gz JSBNNYYRAZVNPF-UHFFFAOYSA-N 1 3 331.508 2.448 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417532238 466877880 /nfs/dbraw/zinc/87/78/80/466877880.db2.gz SSSHJGFWWYCVLT-QGZVFWFLSA-N 1 3 334.508 2.056 20 30 EEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424139067 466988501 /nfs/dbraw/zinc/98/85/01/466988501.db2.gz DVTPOTNFMROXJC-JFRXWTBNSA-N 1 3 342.487 2.280 20 30 EEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424139067 466988506 /nfs/dbraw/zinc/98/85/06/466988506.db2.gz DVTPOTNFMROXJC-JFRXWTBNSA-N 1 3 342.487 2.280 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000602554402 469358941 /nfs/dbraw/zinc/35/89/41/469358941.db2.gz YKNHEMCLEVVUKC-IAGOWNOFSA-N 1 3 335.492 2.176 20 30 EEEDHO C#C[C@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000890656054 675248218 /nfs/dbraw/zinc/24/82/18/675248218.db2.gz TWPWAGDMEGALHI-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627240 683157394 /nfs/dbraw/zinc/15/73/94/683157394.db2.gz ICXSFENOILOZQT-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627240 683157396 /nfs/dbraw/zinc/15/73/96/683157396.db2.gz ICXSFENOILOZQT-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO COC1CCN(C2(CNC(=[NH2+])N3CCC[C@@H](C)C3)CCCC2)CC1 ZINC000262518567 686714078 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2.039 20 30 EEEDHO C=CCn1cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001275381031 1205330469 /nfs/dbraw/zinc/33/04/69/1205330469.db2.gz DCXNONWAPCPUMD-UHFFFAOYSA-N 1 3 345.535 2.309 20 30 EEEDHO C=CCn1cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001275381031 1205330470 /nfs/dbraw/zinc/33/04/70/1205330470.db2.gz DCXNONWAPCPUMD-UHFFFAOYSA-N 1 3 345.535 2.309 20 30 EEEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC1 ZINC000303885433 1213920546 /nfs/dbraw/zinc/92/05/46/1213920546.db2.gz NDRPSOCKZUKSOZ-ZWKOTPCHSA-N 1 3 339.572 2.379 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037279762 1216290968 /nfs/dbraw/zinc/29/09/68/1216290968.db2.gz SUJFPJWXTRTKEW-WOJBJXKFSA-N 1 3 345.531 2.396 20 30 EEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000960326840 1216495906 /nfs/dbraw/zinc/49/59/06/1216495906.db2.gz LSFQZZTXGGPLAB-QZTJIDSGSA-N 1 3 325.456 2.030 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961374984 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C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039398099 1230581048 /nfs/dbraw/zinc/58/10/48/1230581048.db2.gz LGDGGCBWYIWEKK-QYZOEREBSA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC001040727032 1231349516 /nfs/dbraw/zinc/34/95/16/1231349516.db2.gz NDDRYEIJLKZKPW-LJQANCHMSA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC001040727032 1231349518 /nfs/dbraw/zinc/34/95/18/1231349518.db2.gz NDDRYEIJLKZKPW-LJQANCHMSA-N 1 3 343.515 2.341 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041360463 1231519411 /nfs/dbraw/zinc/51/94/11/1231519411.db2.gz YMEFYDPXCZALQJ-UYAOXDASSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041360463 1231519413 /nfs/dbraw/zinc/51/94/13/1231519413.db2.gz YMEFYDPXCZALQJ-UYAOXDASSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677378 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EEEDHO Cc1nc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)ccc1CC#N ZINC001158589653 1319323609 /nfs/dbraw/zinc/32/36/09/1319323609.db2.gz VVKZMUJHMBPVJQ-UHFFFAOYSA-N 1 3 327.476 2.109 20 30 EEEDHO C=CCCC[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)(COC)CC1 ZINC001162319837 1320819247 /nfs/dbraw/zinc/81/92/47/1320819247.db2.gz DBINXABFRQKPOS-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](CC4(C)COC4)C[C@H]3CC2)cc1C#N ZINC001276416028 1321941810 /nfs/dbraw/zinc/94/18/10/1321941810.db2.gz ZRDRZBUNMOVGIM-HDICACEKSA-N 1 3 342.487 2.077 20 30 EEEDHO Cn1cc(CN2CC[C@H]3C[N@H+](CC4(C)COC4)C[C@H]3CC2)cc1C#N ZINC001276416028 1321941811 /nfs/dbraw/zinc/94/18/11/1321941811.db2.gz ZRDRZBUNMOVGIM-HDICACEKSA-N 1 3 342.487 2.077 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771407 1321957858 /nfs/dbraw/zinc/95/78/58/1321957858.db2.gz NKZXTEQIOOHFGJ-RTBURBONSA-N 1 3 343.515 2.315 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cccc(F)c1 ZINC001205429245 1323127994 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CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000998009810 791826737 /nfs/dbraw/zinc/82/67/37/791826737.db2.gz YXHPGNGMESMKCR-GBESFXJTSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998009810 791826739 /nfs/dbraw/zinc/82/67/39/791826739.db2.gz YXHPGNGMESMKCR-GBESFXJTSA-N 1 3 333.520 2.443 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998308287 792538503 /nfs/dbraw/zinc/53/85/03/792538503.db2.gz YXMQKVPZHQITHV-UONOGXRCSA-N 1 3 345.409 2.027 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079187617 794466766 /nfs/dbraw/zinc/46/67/66/794466766.db2.gz PHAZQBOJPXDYJK-IPMKNSEASA-N 1 3 345.462 2.236 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1)N(C)C ZINC000999492317 794595395 /nfs/dbraw/zinc/59/53/95/794595395.db2.gz ZZHHHKZBRGIGBG-SJLPKXTDSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 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ZINC001445868773 1091791826 /nfs/dbraw/zinc/79/18/26/1091791826.db2.gz HSLNNEJSCVGYBA-QGZVFWFLSA-N 1 3 342.487 2.371 20 30 EEEDHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)Cc1ccc(C#N)cc1 ZINC001448108921 1104025642 /nfs/dbraw/zinc/02/56/42/1104025642.db2.gz ZTCBUHUFTSERJY-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO CN(C)CCOc1cc(CNC(=[NH2+])NC2CCCCCC2)ccn1 ZINC000092278766 462940540 /nfs/dbraw/zinc/94/05/40/462940540.db2.gz HDZNEMZCLRHYEP-UHFFFAOYSA-N 1 3 333.480 2.149 20 30 EEEDHO COc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1C#N ZINC000578977143 468289589 /nfs/dbraw/zinc/28/95/89/468289589.db2.gz TWADGFWMGPKQRN-IEBWSBKVSA-N 1 3 329.444 2.285 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000068085233 463090886 /nfs/dbraw/zinc/09/08/86/463090886.db2.gz IKTVZSYIXVXXAS-ROUUACIJSA-N 1 3 333.520 2.206 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491298100 468345062 /nfs/dbraw/zinc/34/50/62/468345062.db2.gz TZNCALHAKIKJLC-IBGZPJMESA-N 1 3 348.535 2.239 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000108555451 463615583 /nfs/dbraw/zinc/61/55/83/463615583.db2.gz YYCBZGJMHCQJJL-ZWKOTPCHSA-N 1 3 336.524 2.326 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000108555451 463615589 /nfs/dbraw/zinc/61/55/89/463615589.db2.gz YYCBZGJMHCQJJL-ZWKOTPCHSA-N 1 3 336.524 2.326 20 30 EEEDHO COc1ccc(CNC(=[NH2+])NC[C@H](C)N2CCC[C@H](C)C2)cc1OC ZINC000264135491 464287190 /nfs/dbraw/zinc/28/71/90/464287190.db2.gz ZPVWDGDQKPACAG-GJZGRUSLSA-N 1 3 348.491 2.229 20 30 EEEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1ccccn1 ZINC000190536943 464670198 /nfs/dbraw/zinc/67/01/98/464670198.db2.gz ZJMPKLVJZZLMSJ-KRWDZBQOSA-N 1 3 339.443 2.099 20 30 EEEDHO C#CCOc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282216039 464739849 /nfs/dbraw/zinc/73/98/49/464739849.db2.gz HQSDUABHQAZQJW-KRWDZBQOSA-N 1 3 329.488 2.375 20 30 EEEDHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000554637356 468433959 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334.508 2.058 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660705921 471453746 /nfs/dbraw/zinc/45/37/46/471453746.db2.gz XSJNAOZHJVHTED-QGZVFWFLSA-N 1 3 334.508 2.058 20 30 EEEDHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001020591099 675223463 /nfs/dbraw/zinc/22/34/63/675223463.db2.gz DNDYSOXKGUWXIK-IYARVYRRSA-N 1 3 340.471 2.027 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021096802 675729267 /nfs/dbraw/zinc/72/92/67/675729267.db2.gz ZRMKVFKZHLABOK-ZQIUZPCESA-N 1 3 346.500 2.231 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000970918953 676241920 /nfs/dbraw/zinc/24/19/20/676241920.db2.gz AAALWNJSJUHBRL-QGZVFWFLSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001022955574 678855774 /nfs/dbraw/zinc/85/57/74/678855774.db2.gz DNCMESUMOYDWMG-IYBDPMFKSA-N 1 3 325.884 2.098 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@]2(C)C1 ZINC000982650917 681968499 /nfs/dbraw/zinc/96/84/99/681968499.db2.gz DVUFRVHCZBKEEN-OYRHEFFESA-N 1 3 339.483 2.165 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241456 682300894 /nfs/dbraw/zinc/30/08/94/682300894.db2.gz XNVGQBOGCOBXPX-ZWKOTPCHSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241456 682300897 /nfs/dbraw/zinc/30/08/97/682300897.db2.gz XNVGQBOGCOBXPX-ZWKOTPCHSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245963 682314456 /nfs/dbraw/zinc/31/44/56/682314456.db2.gz AUJSIEIPTDVVBF-MOPGFXCFSA-N 1 3 343.515 2.484 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCCC)C2)CC1 ZINC001025629524 683161159 /nfs/dbraw/zinc/16/11/59/683161159.db2.gz HWLRRGYENOFNGH-PKOBYXMFSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001025629524 683161162 /nfs/dbraw/zinc/16/11/62/683161162.db2.gz HWLRRGYENOFNGH-PKOBYXMFSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992931874 683662526 /nfs/dbraw/zinc/66/25/26/683662526.db2.gz XDYCNGUAWMTLCQ-YSIASYRMSA-N 1 3 339.483 2.212 20 30 EEEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001026427695 684632721 /nfs/dbraw/zinc/63/27/21/684632721.db2.gz SAXNFEQHDOCHDN-IPMKNSEASA-N 1 3 327.472 2.374 20 30 EEEDHO C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000262790205 688474017 /nfs/dbraw/zinc/47/40/17/688474017.db2.gz KODGEKOYSRAIDX-LIRRHRJNSA-N 1 3 348.539 2.212 20 30 EEEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107035722 1192944500 /nfs/dbraw/zinc/94/45/00/1192944500.db2.gz WMSQZJLBSAXNOV-SJLPKXTDSA-N 1 3 327.472 2.069 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000868284280 1201782720 /nfs/dbraw/zinc/78/27/20/1201782720.db2.gz TUKSTQNPCSRFJA-UHFFFAOYSA-N 1 3 336.524 2.447 20 30 EEEDHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc(C#N)nc3)CC2)C1 ZINC001275295850 1205301706 /nfs/dbraw/zinc/30/17/06/1205301706.db2.gz MEQCYKHKGAIDAI-UHFFFAOYSA-N 1 3 341.503 2.193 20 30 EEEDHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc(C#N)nc3)CC2)C1 ZINC001275295850 1205301708 /nfs/dbraw/zinc/30/17/08/1205301708.db2.gz MEQCYKHKGAIDAI-UHFFFAOYSA-N 1 3 341.503 2.193 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383291 1217579951 /nfs/dbraw/zinc/57/99/51/1217579951.db2.gz MXDXPQIZFXASAQ-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383291 1217579958 /nfs/dbraw/zinc/57/99/58/1217579958.db2.gz MXDXPQIZFXASAQ-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[NH2+]C1CC2(CC(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000965928829 1219368089 /nfs/dbraw/zinc/36/80/89/1219368089.db2.gz PDJLDDFJOMAUQD-UHFFFAOYSA-N 1 3 325.456 2.012 20 30 EEEDHO C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000967425184 1220501503 /nfs/dbraw/zinc/50/15/03/1220501503.db2.gz YHFVYEONOCINAK-PXNSSMCTSA-N 1 3 341.499 2.254 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001039041278 1230257273 /nfs/dbraw/zinc/25/72/73/1230257273.db2.gz BKNKBTFTPOICQE-HXUWFJFHSA-N 1 3 343.515 2.413 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2=CCCCC2)CC1 ZINC001039041278 1230257274 /nfs/dbraw/zinc/25/72/74/1230257274.db2.gz BKNKBTFTPOICQE-HXUWFJFHSA-N 1 3 343.515 2.413 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039211524 1230439189 /nfs/dbraw/zinc/43/91/89/1230439189.db2.gz BEYSJGMRGBJTHO-HKUYNNGSSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039211524 1230439191 /nfs/dbraw/zinc/43/91/91/1230439191.db2.gz BEYSJGMRGBJTHO-HKUYNNGSSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375769 1230562530 /nfs/dbraw/zinc/56/25/30/1230562530.db2.gz WJNHHCOOKPTBJZ-MSOLQXFVSA-N 1 3 331.504 2.340 20 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ZINC001040347367 1231180720 /nfs/dbraw/zinc/18/07/20/1231180720.db2.gz KAIMKOUDGQDPTJ-FPOVZHCZSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001040721817 1231348073 /nfs/dbraw/zinc/34/80/73/1231348073.db2.gz AREXOYIQGFJYMT-LJQANCHMSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001040721817 1231348077 /nfs/dbraw/zinc/34/80/77/1231348077.db2.gz AREXOYIQGFJYMT-LJQANCHMSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001040727446 1231349434 /nfs/dbraw/zinc/34/94/34/1231349434.db2.gz RGRWWLJDPMFSFX-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040727446 1231349437 /nfs/dbraw/zinc/34/94/37/1231349437.db2.gz RGRWWLJDPMFSFX-SFHVURJKSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042270774 1231995227 /nfs/dbraw/zinc/99/52/27/1231995227.db2.gz 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C#CCOCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130279 1318294434 /nfs/dbraw/zinc/29/44/34/1318294434.db2.gz CCDWUYQAJFYWIO-WKCHPHFGSA-N 1 3 342.483 2.438 20 30 EEEDHO C#CCOCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130279 1318294440 /nfs/dbraw/zinc/29/44/40/1318294440.db2.gz CCDWUYQAJFYWIO-WKCHPHFGSA-N 1 3 342.483 2.438 20 30 EEEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001158029707 1318976639 /nfs/dbraw/zinc/97/66/39/1318976639.db2.gz MAXVXFMWFDAQTG-SJORKVTESA-N 1 3 325.472 2.003 20 30 EEEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001158029707 1318976645 /nfs/dbraw/zinc/97/66/45/1318976645.db2.gz MAXVXFMWFDAQTG-SJORKVTESA-N 1 3 325.472 2.003 20 30 EEEDHO CN1CCC(N(c2cc(C#N)cc(Cl)n2)C2CC[NH2+]CC2)CC1 ZINC001158575362 1319316036 /nfs/dbraw/zinc/31/60/36/1319316036.db2.gz NKBBBSTYNRBGPJ-UHFFFAOYSA-N 1 3 333.867 2.259 20 30 EEEDHO CN1CCC(N(c2nc3c(cc2C#N)CCC3)C2CC[NH2+]CC2)CC1 ZINC001158589660 1319322750 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2.356 20 30 EEEDHO C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582589 796423288 /nfs/dbraw/zinc/42/32/88/796423288.db2.gz RXVIBWNRKXDHSV-TZIWHRDSSA-N 1 3 339.483 2.356 20 30 EEEDHO C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCCN1Cc1cccc(C#N)c1 ZINC000994408011 797959684 /nfs/dbraw/zinc/95/96/84/797959684.db2.gz MKQZSYVXWJKNES-VQIMIIECSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000994408011 797959688 /nfs/dbraw/zinc/95/96/88/797959688.db2.gz MKQZSYVXWJKNES-VQIMIIECSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000994408011 797959693 /nfs/dbraw/zinc/95/96/93/797959693.db2.gz MKQZSYVXWJKNES-VQIMIIECSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCN1C(C)C ZINC001177316695 798856063 /nfs/dbraw/zinc/85/60/63/798856063.db2.gz FWJRRQXQSZHBDE-LJQANCHMSA-N 1 3 333.520 2.491 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001085353165 800396094 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327.900 2.345 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086456134 803004876 /nfs/dbraw/zinc/00/48/76/803004876.db2.gz SBLGSIAPNXDUFZ-JYJNAYRXSA-N 1 3 327.900 2.345 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607344 809734056 /nfs/dbraw/zinc/73/40/56/809734056.db2.gz WDADPCSHAJZZGV-VQTJNVASSA-N 1 3 341.499 2.489 20 30 EEEDHO CC[N@H+](C)CCC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001441763429 1095763255 /nfs/dbraw/zinc/76/32/55/1095763255.db2.gz ZHVREFYOSHRKTD-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO CC[N@@H+](C)CCC(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001441763429 1095763266 /nfs/dbraw/zinc/76/32/66/1095763266.db2.gz ZHVREFYOSHRKTD-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO C[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831693 1095889671 /nfs/dbraw/zinc/88/96/71/1095889671.db2.gz FJHPLHFWAKRMJT-RHSMWYFYSA-N 1 3 346.450 2.118 20 30 EEEDHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001507037853 1115073969 /nfs/dbraw/zinc/07/39/69/1115073969.db2.gz ZMXDFAKVLYDYFS-INIZCTEOSA-N 1 3 327.900 2.442 20 30 EEEDHO C[C@H]1CCC[N@H+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000580791036 324130229 /nfs/dbraw/zinc/13/02/29/324130229.db2.gz WWCVUOBNGKBJDA-HNNXBMFYSA-N 1 3 326.448 2.203 20 30 EEEDHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000580791036 324130230 /nfs/dbraw/zinc/13/02/30/324130230.db2.gz WWCVUOBNGKBJDA-HNNXBMFYSA-N 1 3 326.448 2.203 20 30 EEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(CC)CC1)C(C)C ZINC000159651290 463297274 /nfs/dbraw/zinc/29/72/74/463297274.db2.gz YJNCQZDCVBDFKW-GOSISDBHSA-N 1 3 336.524 2.422 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351901050 465430012 /nfs/dbraw/zinc/43/00/12/465430012.db2.gz QGTHDWHCZSLYGY-MRXNPFEDSA-N 1 3 336.524 2.399 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000187268746 464112112 /nfs/dbraw/zinc/11/21/12/464112112.db2.gz BVTVMKUUQPCESA-APWZRJJASA-N 1 3 327.472 2.139 20 30 EEEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000579704450 468399117 /nfs/dbraw/zinc/39/91/17/468399117.db2.gz ACDBFRKHWJRJGX-QFBILLFUSA-N 1 3 330.472 2.395 20 30 EEEDHO CCN(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)c1ccco1 ZINC000264068178 464279655 /nfs/dbraw/zinc/27/96/55/464279655.db2.gz BZVPPYSDEMCPJI-JKSUJKDBSA-N 1 3 335.496 2.051 20 30 EEEDHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937293 464377906 /nfs/dbraw/zinc/37/79/06/464377906.db2.gz JNQZOAJCXKDVAE-IBGZPJMESA-N 1 3 326.444 2.305 20 30 EEEDHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292937293 464377911 /nfs/dbraw/zinc/37/79/11/464377911.db2.gz JNQZOAJCXKDVAE-IBGZPJMESA-N 1 3 326.444 2.305 20 30 EEEDHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCCCC1 ZINC000190536538 464670375 /nfs/dbraw/zinc/67/03/75/464670375.db2.gz VTEVYWBPXJJREJ-SFHVURJKSA-N 1 3 330.476 2.078 20 30 EEEDHO CC[NH+](CC)CCCNC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345720358 465893866 /nfs/dbraw/zinc/89/38/66/465893866.db2.gz YQYXSLAYAWKVET-UHFFFAOYSA-N 1 3 336.524 2.486 20 30 EEEDHO C=CCN1CCC(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333447568 466620212 /nfs/dbraw/zinc/62/02/12/466620212.db2.gz WZIIUWSCVVAGRR-UHFFFAOYSA-N 1 3 346.519 2.090 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000417527176 466876553 /nfs/dbraw/zinc/87/65/53/466876553.db2.gz MTVLYCMCGHQVFU-SFHVURJKSA-N 1 3 330.476 2.198 20 30 EEEDHO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCC(C)(C)C1 ZINC000516085517 468012343 /nfs/dbraw/zinc/01/23/43/468012343.db2.gz KSXGEBCSRBNGTJ-UHFFFAOYSA-N 1 3 342.487 2.180 20 30 EEEDHO C=CCCn1cc(CNCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000657425806 471133215 /nfs/dbraw/zinc/13/32/15/471133215.db2.gz PZWJZSHJYACBHE-UHFFFAOYSA-N 1 3 326.448 2.255 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168021208 782133853 /nfs/dbraw/zinc/13/38/53/782133853.db2.gz CJUFPXJPCBVXMV-ZIAGYGMSSA-N 1 3 344.297 2.008 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168021208 782133859 /nfs/dbraw/zinc/13/38/59/782133859.db2.gz CJUFPXJPCBVXMV-ZIAGYGMSSA-N 1 3 344.297 2.008 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000729339841 576634564 /nfs/dbraw/zinc/63/45/64/576634564.db2.gz BWNYVCWIELGXAF-UHFFFAOYSA-N 1 3 333.520 2.494 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001023507831 679346320 /nfs/dbraw/zinc/34/63/20/679346320.db2.gz AOZHTNDVRWZWKO-GOSISDBHSA-N 1 3 341.499 2.256 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001024811862 681463699 /nfs/dbraw/zinc/46/36/99/681463699.db2.gz CFYWSLCHWSSLFO-AEFFLSMTSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001024811862 681463701 /nfs/dbraw/zinc/46/37/01/681463701.db2.gz CFYWSLCHWSSLFO-AEFFLSMTSA-N 1 3 337.483 2.050 20 30 EEEDHO C[NH+]=C(NCCSC(F)(F)F)N1CC[C@@H](N2CCCCC2)C1 ZINC000262445887 686108162 /nfs/dbraw/zinc/10/81/62/686108162.db2.gz IOIFKDWJNSPLHK-GFCCVEGCSA-N 1 3 338.443 2.375 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C[C@H]2C)CC1 ZINC000989829053 692371955 /nfs/dbraw/zinc/37/19/55/692371955.db2.gz NMRNOLLGXNITKX-XLIONFOSSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977335679 692478149 /nfs/dbraw/zinc/47/81/49/692478149.db2.gz MYIQKHGUPPWTKK-SFHVURJKSA-N 1 3 327.472 2.212 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001105438333 1187117812 /nfs/dbraw/zinc/11/78/12/1187117812.db2.gz DKTDAMVADKNJHC-HFSMHLIXSA-N 1 3 341.499 2.320 20 30 EEEDHO CC#CC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168301777 1188267311 /nfs/dbraw/zinc/26/73/11/1188267311.db2.gz DENYIXPWZYXQKV-UHFFFAOYSA-N 1 3 327.472 2.261 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001203431649 1188298698 /nfs/dbraw/zinc/29/86/98/1188298698.db2.gz ODWUDJRMKSSTPU-UHFFFAOYSA-N 1 3 342.487 2.371 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC001203431649 1188298700 /nfs/dbraw/zinc/29/87/00/1188298700.db2.gz ODWUDJRMKSSTPU-UHFFFAOYSA-N 1 3 342.487 2.371 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170749972 1199559550 /nfs/dbraw/zinc/55/95/50/1199559550.db2.gz FEOXTDRKOQQYLM-MSOLQXFVSA-N 1 3 339.524 2.326 20 30 EEEDHO C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133342197 1200766799 /nfs/dbraw/zinc/76/67/99/1200766799.db2.gz NOUNDSNXIKPODL-HKUYNNGSSA-N 1 3 341.499 2.459 20 30 EEEDHO CCCC(=O)Nc1cccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000303879972 1213917149 /nfs/dbraw/zinc/91/71/49/1213917149.db2.gz GVIGUXJRUJZHFI-KRWDZBQOSA-N 1 3 345.491 2.314 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)cc1 ZINC000304677805 1216083897 /nfs/dbraw/zinc/08/38/97/1216083897.db2.gz DIOKVVLETRTNOJ-AWEZNQCLSA-N 1 3 339.281 2.338 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CCC[C@H]1C ZINC000960305143 1216483427 /nfs/dbraw/zinc/48/34/27/1216483427.db2.gz SUXRRRZTHDEFNR-XFQXTVEOSA-N 1 3 327.472 2.419 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410407 1217179476 /nfs/dbraw/zinc/17/94/76/1217179476.db2.gz HNKARFUJIZGFIM-UYAOXDASSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410407 1217179477 /nfs/dbraw/zinc/17/94/77/1217179477.db2.gz HNKARFUJIZGFIM-UYAOXDASSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383289 1217580050 /nfs/dbraw/zinc/58/00/50/1217580050.db2.gz MXDXPQIZFXASAQ-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963383289 1217580054 /nfs/dbraw/zinc/58/00/54/1217580054.db2.gz MXDXPQIZFXASAQ-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CCC(=C)C)CC2)CC1 ZINC001045647224 1233880897 /nfs/dbraw/zinc/88/08/97/1233880897.db2.gz WTAYMJJZVDZTDK-UHFFFAOYSA-N 1 3 331.504 2.269 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001073899269 1242762765 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1 3 339.911 2.489 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001193600811 1282626088 /nfs/dbraw/zinc/62/60/88/1282626088.db2.gz MELVSTPMYXRYTH-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001193600811 1282626096 /nfs/dbraw/zinc/62/60/96/1282626096.db2.gz MELVSTPMYXRYTH-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229368 1282933746 /nfs/dbraw/zinc/93/37/46/1282933746.db2.gz WSBOVLNHKNKFCK-IBGZPJMESA-N 1 3 345.487 2.097 20 30 EEEDHO C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229368 1282933748 /nfs/dbraw/zinc/93/37/48/1282933748.db2.gz WSBOVLNHKNKFCK-IBGZPJMESA-N 1 3 345.487 2.097 20 30 EEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCCO1 ZINC001201558267 1289666078 /nfs/dbraw/zinc/66/60/78/1289666078.db2.gz NGOQLIMJVWXWLS-QZTJIDSGSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCCCCC[C@H](N)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727384 1297778525 /nfs/dbraw/zinc/77/85/25/1297778525.db2.gz XQFGEDBFIYLPNR-CVEARBPZSA-N 1 3 332.448 2.225 20 30 EEEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001219464577 1298032579 /nfs/dbraw/zinc/03/25/79/1298032579.db2.gz BBYYBXMIJLACEW-HNNXBMFYSA-N 1 3 325.416 2.104 20 30 EEEDHO C=CCOCCN1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227793096 1301968003 /nfs/dbraw/zinc/96/80/03/1301968003.db2.gz ZZWREFISQYTPSE-GOSISDBHSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCOCCN1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227793096 1301968009 /nfs/dbraw/zinc/96/80/09/1301968009.db2.gz ZZWREFISQYTPSE-GOSISDBHSA-N 1 3 337.508 2.033 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC(C)C)CC1 ZINC001230251756 1303127718 /nfs/dbraw/zinc/12/77/18/1303127718.db2.gz HKWTYMDRAHIPNN-RTBURBONSA-N 1 3 333.520 2.395 20 30 EEEDHO N#Cc1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c2ccccc12 ZINC001247829800 1310734144 /nfs/dbraw/zinc/73/41/44/1310734144.db2.gz JRMXXEGTBQAGLQ-MRXNPFEDSA-N 1 3 331.379 2.038 20 30 EEEDHO C=C(C)CN1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451858 1316266983 /nfs/dbraw/zinc/26/69/83/1316266983.db2.gz ARYZCKTYTAGLAK-MSOLQXFVSA-N 1 3 339.524 2.136 20 30 EEEDHO C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001150624802 1316320120 /nfs/dbraw/zinc/32/01/20/1316320120.db2.gz GQURQYHCZJUFTD-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001150624802 1316320123 /nfs/dbraw/zinc/32/01/23/1316320123.db2.gz GQURQYHCZJUFTD-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001151352302 1316510859 /nfs/dbraw/zinc/51/08/59/1316510859.db2.gz XPRIIXRQSPTKNY-QZTJIDSGSA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001151352302 1316510861 /nfs/dbraw/zinc/51/08/61/1316510861.db2.gz XPRIIXRQSPTKNY-QZTJIDSGSA-N 1 3 349.519 2.177 20 30 EEEDHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001206654034 1317504431 /nfs/dbraw/zinc/50/44/31/1317504431.db2.gz SYVGFRHYCOVRGS-UHFFFAOYSA-N 1 3 348.516 2.290 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001164531824 1321409581 /nfs/dbraw/zinc/40/95/81/1321409581.db2.gz TXJIJSWLXZYCKU-HOTGVXAUSA-N 1 3 339.911 2.489 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531824 1321409585 /nfs/dbraw/zinc/40/95/85/1321409585.db2.gz TXJIJSWLXZYCKU-HOTGVXAUSA-N 1 3 339.911 2.489 20 30 EEEDHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379015366 1380391434 /nfs/dbraw/zinc/39/14/34/1380391434.db2.gz BYMXTOVMDDIWGE-OAHLLOKOSA-N 1 3 325.884 2.194 20 30 EEEDHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC#Cc1ccc(F)cc1 ZINC001752894652 1406523791 /nfs/dbraw/zinc/52/37/91/1406523791.db2.gz KSKNIYLTTODOAG-RYRKJORJSA-N 1 3 345.462 2.002 20 30 EEEDHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC#Cc1ccc(F)cc1 ZINC001752894652 1406523797 /nfs/dbraw/zinc/52/37/97/1406523797.db2.gz KSKNIYLTTODOAG-RYRKJORJSA-N 1 3 345.462 2.002 20 30 EEEDHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1)N(C)C ZINC001424166497 1400943480 /nfs/dbraw/zinc/94/34/80/1400943480.db2.gz XIEMIJPIOOGNRD-QGZVFWFLSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271724 1407281637 /nfs/dbraw/zinc/28/16/37/1407281637.db2.gz VWNOKWVYVSTKIR-ROUUACIJSA-N 1 3 341.499 2.323 20 30 EEEDHO C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001755464738 1407499815 /nfs/dbraw/zinc/49/98/15/1407499815.db2.gz PDZFNKMHKCLENP-MSOLQXFVSA-N 1 3 349.519 2.034 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030317 782402304 /nfs/dbraw/zinc/40/23/04/782402304.db2.gz NGTJNKNAASUULB-OALUTQOASA-N 1 3 340.471 2.171 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030317 782402310 /nfs/dbraw/zinc/40/23/10/782402310.db2.gz NGTJNKNAASUULB-OALUTQOASA-N 1 3 340.471 2.171 20 30 EEEDHO C=C(Cl)CNCC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104622384 762067157 /nfs/dbraw/zinc/06/71/57/762067157.db2.gz VMMZBIVQZGPABW-CZUORRHYSA-N 1 3 327.900 2.155 20 30 EEEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167093870 757260773 /nfs/dbraw/zinc/26/07/73/757260773.db2.gz UBMJYCAEDAXQQW-SJORKVTESA-N 1 3 335.879 2.180 20 30 EEEDHO C=C(Cl)CNCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167093870 757260778 /nfs/dbraw/zinc/26/07/78/757260778.db2.gz UBMJYCAEDAXQQW-SJORKVTESA-N 1 3 335.879 2.180 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449985 760441940 /nfs/dbraw/zinc/44/19/40/760441940.db2.gz XFUXVBDDQIJLQL-ICSRJNTNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449985 760441944 /nfs/dbraw/zinc/44/19/44/760441944.db2.gz XFUXVBDDQIJLQL-ICSRJNTNSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O2 ZINC001098606781 765221807 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20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1cc(F)ccc1C#N ZINC001135317299 783600664 /nfs/dbraw/zinc/60/06/64/783600664.db2.gz XKXBBWOZBVHTGQ-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001035052387 783659123 /nfs/dbraw/zinc/65/91/23/783659123.db2.gz MLARBIKMCZVTEY-AEFFLSMTSA-N 1 3 346.450 2.118 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135980918 784907810 /nfs/dbraw/zinc/90/78/10/784907810.db2.gz UXGPNSBFDXHKSR-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735544 787671654 /nfs/dbraw/zinc/67/16/54/787671654.db2.gz KQBZXJPYINBGJK-KRWDZBQOSA-N 1 3 345.443 2.218 20 30 EEEDHO C=C(C)C[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000996996939 788427946 /nfs/dbraw/zinc/42/79/46/788427946.db2.gz AUKCANOWWRUNPY-GOSISDBHSA-N 1 3 325.472 2.356 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC)CC3)CC1 ZINC001094582006 796422677 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C#CCN1CCC(C(=O)NCCC[NH2+]CC2CCCCCC2)CC1 ZINC001176925756 798630149 /nfs/dbraw/zinc/63/01/49/798630149.db2.gz AJARQLVFULQQGI-UHFFFAOYSA-N 1 3 333.520 2.398 20 30 EEEDHO C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCCN1CC ZINC001177489305 798979572 /nfs/dbraw/zinc/97/95/72/798979572.db2.gz ZJAZTTDQNZZNDY-LJQANCHMSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458484 802123212 /nfs/dbraw/zinc/12/32/12/802123212.db2.gz PJTAJVZBEXWDDP-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004458484 802123216 /nfs/dbraw/zinc/12/32/16/802123216.db2.gz PJTAJVZBEXWDDP-GOSISDBHSA-N 1 3 331.504 2.197 20 30 EEEDHO N#Cc1cnnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170525612 812254343 /nfs/dbraw/zinc/25/43/43/812254343.db2.gz KPGXSMISGNFDOG-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001440359680 1093520093 /nfs/dbraw/zinc/52/00/93/1093520093.db2.gz PBGZAVYIWRUEDY-JYJNAYRXSA-N 1 3 327.900 2.488 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198554 1096478196 /nfs/dbraw/zinc/47/81/96/1096478196.db2.gz HAPHTQIIXGLJSC-HUUCEWRRSA-N 1 3 348.516 2.479 20 30 EEEDHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC001495959876 1101834130 /nfs/dbraw/zinc/83/41/30/1101834130.db2.gz PEZJKLNSGWOYRO-UHFFFAOYSA-N 1 3 348.516 2.480 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166468 781950330 /nfs/dbraw/zinc/95/03/30/781950330.db2.gz VSTXGSRJRCCZEQ-RRFJBIMHSA-N 1 3 347.425 2.273 20 30 EEEDHO CC(C)N1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190609332 152210740 /nfs/dbraw/zinc/21/07/40/152210740.db2.gz ZWIAZPBFZDFTFD-IBGZPJMESA-N 1 3 340.471 2.122 20 30 EEEDHO C[C@H]1CN(Cc2ccc(CC#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343756530 465550951 /nfs/dbraw/zinc/55/09/51/465550951.db2.gz YYYPXPWBQJLVGE-PXNSSMCTSA-N 1 3 326.488 2.210 20 30 EEEDHO 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CXOPMHABLPDPOT-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086423 1318391287 /nfs/dbraw/zinc/39/12/87/1318391287.db2.gz SYFPBHMVCNSZFC-QGZVFWFLSA-N 1 3 347.503 2.391 20 30 EEEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001157086423 1318391294 /nfs/dbraw/zinc/39/12/94/1318391294.db2.gz SYFPBHMVCNSZFC-QGZVFWFLSA-N 1 3 347.503 2.391 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040483 1318981478 /nfs/dbraw/zinc/98/14/78/1318981478.db2.gz XCJLMVULZCXGPJ-MOPGFXCFSA-N 1 3 340.471 2.029 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158040483 1318981481 /nfs/dbraw/zinc/98/14/81/1318981481.db2.gz XCJLMVULZCXGPJ-MOPGFXCFSA-N 1 3 340.471 2.029 20 30 EEEDHO C=CCC[NH+]1CCC(CNC(=O)C(C)(C)N(C)CC)(COC)CC1 ZINC001162327042 1320822998 /nfs/dbraw/zinc/82/29/98/1320822998.db2.gz OAKWIHZVLIYWHU-UHFFFAOYSA-N 1 3 339.524 2.138 20 30 EEEDHO C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001162963562 1320998513 /nfs/dbraw/zinc/99/85/13/1320998513.db2.gz KRMGQXNHUXKUMM-UHFFFAOYSA-N 1 3 341.499 2.012 20 30 EEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001206954775 1323741804 /nfs/dbraw/zinc/74/18/04/1323741804.db2.gz WKXDLDPQMYGFPJ-MRXNPFEDSA-N 1 3 327.900 2.442 20 30 EEEDHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209631608 1324993981 /nfs/dbraw/zinc/99/39/81/1324993981.db2.gz FSPBPEGMDHTBFA-AZUAARDMSA-N 1 3 339.483 2.103 20 30 EEEDHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001209631608 1324993984 /nfs/dbraw/zinc/99/39/84/1324993984.db2.gz FSPBPEGMDHTBFA-AZUAARDMSA-N 1 3 339.483 2.103 20 30 EEEDHO C=CCCC[N@H+]1CC[C@H](NC(=O)CN(C)CCCCCC)[C@@H](O)C1 ZINC001100038389 1337948080 /nfs/dbraw/zinc/94/80/80/1337948080.db2.gz IWGVXDRPIVIRMY-ROUUACIJSA-N 1 3 339.524 2.016 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CCCCCC)[C@@H](O)C1 ZINC001100038389 1337948081 /nfs/dbraw/zinc/94/80/81/1337948081.db2.gz IWGVXDRPIVIRMY-ROUUACIJSA-N 1 3 339.524 2.016 20 30 EEEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001112354539 1371409832 /nfs/dbraw/zinc/40/98/32/1371409832.db2.gz NHKISORZKILRRN-PXNSSMCTSA-N 1 3 331.504 2.102 20 30 EEEDHO C[NH+]1CCC(CN2CCN(Cc3cc(F)cc(C#N)c3)CC2)CC1 ZINC001139878452 1372532946 /nfs/dbraw/zinc/53/29/46/1372532946.db2.gz MAWDTICUEKRYMD-UHFFFAOYSA-N 1 3 330.451 2.157 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001392131519 1389832247 /nfs/dbraw/zinc/83/22/47/1389832247.db2.gz LZZOQFJXNZMSTG-CRAIPNDOSA-N 1 3 330.476 2.081 20 30 EEEDHO C[NH+](C)CCC(=O)N[C@H](CNCC#Cc1ccccc1Cl)C1CC1 ZINC001754451061 1406906963 /nfs/dbraw/zinc/90/69/63/1406906963.db2.gz ZYPYECKVGHZUFD-GOSISDBHSA-N 1 3 347.890 2.128 20 30 EEEDHO C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001576729766 1403601202 /nfs/dbraw/zinc/60/12/02/1403601202.db2.gz YDUKVBBLPCOKMX-OCCSQVGLSA-N 1 3 334.851 2.457 20 30 EEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001755768666 1407828479 /nfs/dbraw/zinc/82/84/79/1407828479.db2.gz SRUAMHNRYWKYGN-ZFWWWQNUSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CC=C)[C@@H]3C2(C)C)CC1 ZINC001087317319 761613546 /nfs/dbraw/zinc/61/35/46/761613546.db2.gz GRCCSJHQQZMVOB-OTWHNJEPSA-N 1 3 343.515 2.123 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CC=C)[C@@H]3C2(C)C)CC1 ZINC001087317319 761613548 /nfs/dbraw/zinc/61/35/48/761613548.db2.gz GRCCSJHQQZMVOB-OTWHNJEPSA-N 1 3 343.515 2.123 20 30 EEEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105058835 768970027 /nfs/dbraw/zinc/97/00/27/768970027.db2.gz ADRYJHBNRYXHPN-YLJYHZDGSA-N 1 3 341.499 2.459 20 30 EEEDHO C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@@H]2C1 ZINC001088020430 782777434 /nfs/dbraw/zinc/77/74/34/782777434.db2.gz KXNLZWLUNCZLGQ-SJORKVTESA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]2C1 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/nfs/dbraw/zinc/02/58/76/793025876.db2.gz ILMONWTWTDGWIJ-BZSNNMDCSA-N 1 3 331.504 2.053 20 30 EEEDHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000999366654 794370444 /nfs/dbraw/zinc/37/04/44/794370444.db2.gz YVTBURDJOTWDFF-CQSZACIVSA-N 1 3 346.500 2.185 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC000992510055 794454204 /nfs/dbraw/zinc/45/42/04/794454204.db2.gz OJENNPQOPALIDL-QUCCMNQESA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC000992510055 794454218 /nfs/dbraw/zinc/45/42/18/794454218.db2.gz OJENNPQOPALIDL-QUCCMNQESA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820731 797027327 /nfs/dbraw/zinc/02/73/27/797027327.db2.gz ZHJQTTQWGROALI-OALUTQOASA-N 1 3 343.515 2.149 20 30 EEEDHO C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2CCCC)CC1 ZINC001002036760 797499086 /nfs/dbraw/zinc/49/90/86/797499086.db2.gz KSSBJGWGVYPISJ-IBGZPJMESA-N 1 3 333.520 2.493 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958109 798577938 /nfs/dbraw/zinc/57/79/38/798577938.db2.gz LTZOKCZZCMVWMY-QYZOEREBSA-N 1 3 331.504 2.195 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084958109 798577941 /nfs/dbraw/zinc/57/79/41/798577941.db2.gz LTZOKCZZCMVWMY-QYZOEREBSA-N 1 3 331.504 2.195 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455731 802114728 /nfs/dbraw/zinc/11/47/28/802114728.db2.gz ABTJMHCTLHEWEO-RBUKOAKNSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455731 802114732 /nfs/dbraw/zinc/11/47/32/802114732.db2.gz ABTJMHCTLHEWEO-RBUKOAKNSA-N 1 3 331.504 2.053 20 30 EEEDHO CCCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001442977008 1097400541 /nfs/dbraw/zinc/40/05/41/1097400541.db2.gz ZIIAACPYBUYHGS-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@@](C)(CNCc2ccccc2C#N)C1 ZINC001446594666 1101087509 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C=C(C)CN1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877116 462648954 /nfs/dbraw/zinc/64/89/54/462648954.db2.gz GBYZBKKPDQKHID-GOSISDBHSA-N 1 3 348.535 2.400 20 30 EEEDHO C=CCN(CCC#N)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000521897815 468338933 /nfs/dbraw/zinc/33/89/33/468338933.db2.gz ITQPPRYWVWIXMM-UHFFFAOYSA-N 1 3 332.492 2.111 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351901049 465429783 /nfs/dbraw/zinc/42/97/83/465429783.db2.gz QGTHDWHCZSLYGY-INIZCTEOSA-N 1 3 336.524 2.399 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1cc(OC)ccc1OC ZINC000270473361 464258031 /nfs/dbraw/zinc/25/80/31/464258031.db2.gz ZRAFSXAXVZHLNP-INIZCTEOSA-N 1 3 348.491 2.025 20 30 EEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042825 465936695 /nfs/dbraw/zinc/93/66/95/465936695.db2.gz WNNJXEHBYIQBAF-IBGZPJMESA-N 1 3 344.503 2.415 20 30 EEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000349042825 465936704 /nfs/dbraw/zinc/93/67/04/465936704.db2.gz WNNJXEHBYIQBAF-IBGZPJMESA-N 1 3 344.503 2.415 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000417057463 466766472 /nfs/dbraw/zinc/76/64/72/466766472.db2.gz BIFOJVKSOSPFQU-PKOBYXMFSA-N 1 3 336.524 2.374 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000417058107 466766703 /nfs/dbraw/zinc/76/67/03/466766703.db2.gz DOYMEZVNMYQWKK-WJFTUGDTSA-N 1 3 348.535 2.372 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376744325 466928746 /nfs/dbraw/zinc/92/87/46/466928746.db2.gz SAKNAFHGZYTDJL-FUHWJXTLSA-N 1 3 334.508 2.295 20 30 EEEDHO CCN1CCN(CCCC[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602511376 469344788 /nfs/dbraw/zinc/34/47/88/469344788.db2.gz QVWMZNAXTHABTQ-GOSISDBHSA-N 1 3 336.524 2.093 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000644531768 470974780 /nfs/dbraw/zinc/97/47/80/470974780.db2.gz IQQKJPNTEOHUTG-APWZRJJASA-N 1 3 330.472 2.229 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000644531768 470974783 /nfs/dbraw/zinc/97/47/83/470974783.db2.gz IQQKJPNTEOHUTG-APWZRJJASA-N 1 3 330.472 2.229 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000644531768 470974786 /nfs/dbraw/zinc/97/47/86/470974786.db2.gz IQQKJPNTEOHUTG-APWZRJJASA-N 1 3 330.472 2.229 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669464961 471507490 /nfs/dbraw/zinc/50/74/90/471507490.db2.gz RFBSUCQGVROLJZ-ROUUACIJSA-N 1 3 348.535 2.448 20 30 EEEDHO C=CCN1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727467 782140113 /nfs/dbraw/zinc/14/01/13/782140113.db2.gz ZFCWURKGKZMBDM-DAYGRLMNSA-N 1 3 325.472 2.354 20 30 EEEDHO C=CCN1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727467 782140123 /nfs/dbraw/zinc/14/01/23/782140123.db2.gz ZFCWURKGKZMBDM-DAYGRLMNSA-N 1 3 325.472 2.354 20 30 EEEDHO CCN(CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)C1 ZINC000132269888 528248788 /nfs/dbraw/zinc/24/87/88/528248788.db2.gz WZVDRDSFQHDMJK-XDNAFOTISA-N 1 3 348.535 2.326 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214813 676157892 /nfs/dbraw/zinc/15/78/92/676157892.db2.gz QHFHIIAIVPORCU-MJGOQNOKSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039214813 676157893 /nfs/dbraw/zinc/15/78/93/676157893.db2.gz QHFHIIAIVPORCU-MJGOQNOKSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021087636 675714701 /nfs/dbraw/zinc/71/47/01/675714701.db2.gz DOUQYEXSECJKDW-XUXIUFHCSA-N 1 3 344.297 2.005 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC001021089197 675715378 /nfs/dbraw/zinc/71/53/78/675715378.db2.gz AYUWTDPDROJVOL-XIKSMUEASA-N 1 3 343.515 2.005 20 30 EEEDHO C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970212551 675721142 /nfs/dbraw/zinc/72/11/42/675721142.db2.gz HAHSTOSWFUOAJG-INIZCTEOSA-N 1 3 329.488 2.417 20 30 EEEDHO COCCN(C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104173062 678006164 /nfs/dbraw/zinc/00/61/64/678006164.db2.gz PVHILUUECJHLOT-UHFFFAOYSA-N 1 3 348.369 2.280 20 30 EEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750364 681413229 /nfs/dbraw/zinc/41/32/29/681413229.db2.gz PTWWRCDXTZDFBN-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C[C@H](C)CC)CC1 ZINC001024812728 681465398 /nfs/dbraw/zinc/46/53/98/681465398.db2.gz RVNGFQBVAFJQPD-MJGOQNOKSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001024812728 681465400 /nfs/dbraw/zinc/46/54/00/681465400.db2.gz RVNGFQBVAFJQPD-MJGOQNOKSA-N 1 3 333.520 2.348 20 30 EEEDHO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]12 ZINC001026427933 684632904 /nfs/dbraw/zinc/63/29/04/684632904.db2.gz WXEAQQADRVGISI-NZSAHSFTSA-N 1 3 327.472 2.374 20 30 EEEDHO C[NH+]=C(NCCOC1CCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262448505 686110451 /nfs/dbraw/zinc/11/04/51/686110451.db2.gz JIRINGQCJARKJC-KRWDZBQOSA-N 1 3 336.524 2.471 20 30 EEEDHO C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354629 688504643 /nfs/dbraw/zinc/50/46/43/688504643.db2.gz KRNINLCMHCCXNG-HNAYVOBHSA-N 1 3 340.471 2.122 20 30 EEEDHO C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381415 1186747501 /nfs/dbraw/zinc/74/75/01/1186747501.db2.gz DNJSCTDUUPSDIG-APWZRJJASA-N 1 3 337.483 2.193 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202225 1199446259 /nfs/dbraw/zinc/44/62/59/1199446259.db2.gz DYGGRLMYFDIXAI-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCN1CCC(NC(=O)c2sc(C3CC[NH2+]CC3)nc2C)CC1 ZINC000876754043 1199758022 /nfs/dbraw/zinc/75/80/22/1199758022.db2.gz ARMHTQBNGNADGN-UHFFFAOYSA-N 1 3 348.516 2.299 20 30 EEEDHO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877747660 1200072254 /nfs/dbraw/zinc/07/22/54/1200072254.db2.gz WLBVWUBSGVSTMP-QGZVFWFLSA-N 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1407578298 /nfs/dbraw/zinc/57/82/98/1407578298.db2.gz JVJZTOKWYAPIHM-DLBZAZTESA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001755520497 1407578302 /nfs/dbraw/zinc/57/83/02/1407578302.db2.gz JVJZTOKWYAPIHM-DLBZAZTESA-N 1 3 342.487 2.275 20 30 EEEDHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001755566867 1407637422 /nfs/dbraw/zinc/63/74/22/1407637422.db2.gz CEOGFYIHSHKNEB-LPHOPBHVSA-N 1 3 337.483 2.049 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC2CC2)CC1 ZINC001089735673 774816483 /nfs/dbraw/zinc/81/64/83/774816483.db2.gz NZTZIFHIMJLLRD-LJQANCHMSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC2CC2)CC1 ZINC001089735673 774816491 /nfs/dbraw/zinc/81/64/91/774816491.db2.gz NZTZIFHIMJLLRD-LJQANCHMSA-N 1 3 345.531 2.348 20 30 EEEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531719 774970663 /nfs/dbraw/zinc/97/06/63/774970663.db2.gz NLSPICAOQDCPBD-PXNSSMCTSA-N 1 3 333.520 2.206 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001027972608 775464084 /nfs/dbraw/zinc/46/40/84/775464084.db2.gz WZQFXHUPRQHPMF-RBUKOAKNSA-N 1 3 340.471 2.123 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027972608 775464088 /nfs/dbraw/zinc/46/40/88/775464088.db2.gz WZQFXHUPRQHPMF-RBUKOAKNSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)CN1C(=O)CN1CCCC1 ZINC000980800265 775628611 /nfs/dbraw/zinc/62/86/11/775628611.db2.gz OOMNWSWIRNZGIM-CABCVRRESA-N 1 3 346.500 2.042 20 30 EEEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)CC1 ZINC000261689536 780285129 /nfs/dbraw/zinc/28/51/29/780285129.db2.gz IGNMLEZYSPBALM-KSZLIROESA-N 1 3 346.519 2.150 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C(F)(F)F ZINC001112121335 780862500 /nfs/dbraw/zinc/86/25/00/780862500.db2.gz HQSXXICSIOLNBD-MGPQQGTHSA-N 1 3 335.414 2.272 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135743599 784352774 /nfs/dbraw/zinc/35/27/74/784352774.db2.gz MTJKEQXQTGEWNU-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960704 784900995 /nfs/dbraw/zinc/90/09/95/784900995.db2.gz GMTIYJPDWAJDDQ-KGLIPLIRSA-N 1 3 348.329 2.500 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CCC ZINC001135976050 784924367 /nfs/dbraw/zinc/92/43/67/784924367.db2.gz GHRZJQAOGVXYNT-QWHCGFSZSA-N 1 3 334.302 2.110 20 30 EEEDHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000996994410 788387357 /nfs/dbraw/zinc/38/73/57/788387357.db2.gz HYESMRKHXBZBPU-INIZCTEOSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000996994410 788387365 /nfs/dbraw/zinc/38/73/65/788387365.db2.gz HYESMRKHXBZBPU-INIZCTEOSA-N 1 3 340.471 2.123 20 30 EEEDHO C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCCN1C(C)C)CCO2 ZINC001093395436 795167385 /nfs/dbraw/zinc/16/73/85/795167385.db2.gz CXWCRVIGOKMLDS-QPIRBTGLSA-N 1 3 349.519 2.175 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158873 796335788 /nfs/dbraw/zinc/33/57/88/796335788.db2.gz WZJHTMSHJBMXSQ-YDZRNGNQSA-N 1 3 331.504 2.242 20 30 EEEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741787 796945503 /nfs/dbraw/zinc/94/55/03/796945503.db2.gz KUYJGKZDTUANAX-HZPDHXFCSA-N 1 3 339.911 2.488 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999574 797211068 /nfs/dbraw/zinc/21/10/68/797211068.db2.gz IVYBGNNLCSTBFH-XHSDSOJGSA-N 1 3 339.911 2.440 20 30 EEEDHO C=CCOC1CCC(N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001173326979 797361093 /nfs/dbraw/zinc/36/10/93/797361093.db2.gz YHAYOCXOEIYXMG-UHFFFAOYSA-N 1 3 349.519 2.162 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](CCC(=C)C)CC2)CC1 ZINC001002145040 797622891 /nfs/dbraw/zinc/62/28/91/797622891.db2.gz LASBQOIOYJSSOH-UHFFFAOYSA-N 1 3 331.504 2.126 20 30 EEEDHO C[C@@H](CCCCNCc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001175048304 797977047 /nfs/dbraw/zinc/97/70/47/797977047.db2.gz GFBNFNUVSPGFGS-INIZCTEOSA-N 1 3 330.476 2.275 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089401623 798384400 /nfs/dbraw/zinc/38/44/00/798384400.db2.gz VVHLPCZLMXRMJC-ZWKOTPCHSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089401623 798384407 /nfs/dbraw/zinc/38/44/07/798384407.db2.gz VVHLPCZLMXRMJC-ZWKOTPCHSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]CCC2CC2)CC1 ZINC001176738685 798543552 /nfs/dbraw/zinc/54/35/52/798543552.db2.gz RMVHUTIIIQWMIV-KRWDZBQOSA-N 1 3 333.520 2.396 20 30 EEEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001177320017 798858254 /nfs/dbraw/zinc/85/82/54/798858254.db2.gz YFCSNMHAEAFFTG-OALUTQOASA-N 1 3 349.519 2.034 20 30 EEEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179591228 799998208 /nfs/dbraw/zinc/99/82/08/799998208.db2.gz QBICYVZRWZPWNI-LJQANCHMSA-N 1 3 339.499 2.488 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001182608508 801275498 /nfs/dbraw/zinc/27/54/98/801275498.db2.gz UWIMIXSVAUZGGL-UKPHBRMFSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584935 802423450 /nfs/dbraw/zinc/42/34/50/802423450.db2.gz CMSDSPCDMDZXHF-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004584935 802423453 /nfs/dbraw/zinc/42/34/53/802423453.db2.gz CMSDSPCDMDZXHF-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO CCCCCCC[NH+]1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC001113634413 809395995 /nfs/dbraw/zinc/39/59/95/809395995.db2.gz BMPBSUSOFKFYIL-SFHVURJKSA-N 1 3 339.524 2.069 20 30 EEEDHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001443926627 1098446868 /nfs/dbraw/zinc/44/68/68/1098446868.db2.gz BOUCKZRXRDXFAR-MRXNPFEDSA-N 1 3 346.450 2.166 20 30 EEEDHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001444310470 1098868735 /nfs/dbraw/zinc/86/87/35/1098868735.db2.gz PXTJRQPWPJPYES-LPHOPBHVSA-N 1 3 342.487 2.275 20 30 EEEDHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC001479301273 1110678068 /nfs/dbraw/zinc/67/80/68/1110678068.db2.gz ZTPHYCHYSGLSLL-HDICACEKSA-N 1 3 340.471 2.027 20 30 EEEDHO CN1CCC(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000330168751 539789223 /nfs/dbraw/zinc/78/92/23/539789223.db2.gz CUBCCIXEBBFTSI-MSOLQXFVSA-N 1 3 337.508 2.443 20 30 EEEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000280745240 267161224 /nfs/dbraw/zinc/16/12/24/267161224.db2.gz HNHQWOSPWHQFTI-GPMSIDNRSA-N 1 3 338.455 2.477 20 30 EEEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000280745240 267161226 /nfs/dbraw/zinc/16/12/26/267161226.db2.gz HNHQWOSPWHQFTI-GPMSIDNRSA-N 1 3 338.455 2.477 20 30 EEEDHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(C#N)c1 ZINC000560896969 318817344 /nfs/dbraw/zinc/81/73/44/318817344.db2.gz OLHRIVVENZDGSS-QGZVFWFLSA-N 1 3 342.487 2.005 20 30 EEEDHO N#C[C@@H]1CC[C@@H](N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000339050605 465052810 /nfs/dbraw/zinc/05/28/10/465052810.db2.gz RKEILLOJVQFEIY-IEBWSBKVSA-N 1 3 346.519 2.383 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171607000 463892215 /nfs/dbraw/zinc/89/22/15/463892215.db2.gz ZVRXGQIXDFEHAY-SFHVURJKSA-N 1 3 334.508 2.297 20 30 EEEDHO CN(CCC(=O)Nc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285433821 464562246 /nfs/dbraw/zinc/56/22/46/464562246.db2.gz HTKRIVCSTMAIEV-SJPCQFCGSA-N 1 3 326.444 2.444 20 30 EEEDHO CN(CCC(=O)Nc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285433821 464562253 /nfs/dbraw/zinc/56/22/53/464562253.db2.gz HTKRIVCSTMAIEV-SJPCQFCGSA-N 1 3 326.444 2.444 20 30 EEEDHO C[NH+](C)CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551998 468420281 /nfs/dbraw/zinc/42/02/81/468420281.db2.gz SBAJCLWCHBYLMB-WMZOPIPTSA-N 1 3 333.476 2.254 20 30 EEEDHO C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)CN1CCN(C)CC1 ZINC000267336753 464926262 /nfs/dbraw/zinc/92/62/62/464926262.db2.gz RZCIJQZGUYWYLV-MRXNPFEDSA-N 1 3 343.519 2.176 20 30 EEEDHO CN(C)CCNC(=O)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411353280 466812809 /nfs/dbraw/zinc/81/28/09/466812809.db2.gz LDLYCTOGMBEBHG-UHFFFAOYSA-N 1 3 334.508 2.240 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C(C)C ZINC000669385662 471472091 /nfs/dbraw/zinc/47/20/91/471472091.db2.gz NXAPNOCYYHSPNZ-KZNAEPCWSA-N 1 3 334.508 2.078 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681630 472203979 /nfs/dbraw/zinc/20/39/79/472203979.db2.gz KMIPVSMBJLQZPW-ZBFHGGJFSA-N 1 3 347.425 2.343 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671660 676326943 /nfs/dbraw/zinc/32/69/43/676326943.db2.gz UWLLKQPNLMRTHQ-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671660 676326944 /nfs/dbraw/zinc/32/69/44/676326944.db2.gz UWLLKQPNLMRTHQ-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021682773 676338702 /nfs/dbraw/zinc/33/87/02/676338702.db2.gz TWHMCENPQDOMKF-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401012 678685416 /nfs/dbraw/zinc/68/54/16/678685416.db2.gz GYPTWSXZNGTKFQ-QRVBRYPASA-N 1 3 327.472 2.051 20 30 EEEDHO C=CCN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000972401012 678685417 /nfs/dbraw/zinc/68/54/17/678685417.db2.gz GYPTWSXZNGTKFQ-QRVBRYPASA-N 1 3 327.472 2.051 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241454 682300427 /nfs/dbraw/zinc/30/04/27/682300427.db2.gz XNVGQBOGCOBXPX-ROUUACIJSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241454 682300429 /nfs/dbraw/zinc/30/04/29/682300429.db2.gz XNVGQBOGCOBXPX-ROUUACIJSA-N 1 3 331.504 2.340 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001029844224 687306647 /nfs/dbraw/zinc/30/66/47/687306647.db2.gz YSDCQZLONUSWKN-OALUTQOASA-N 1 3 342.487 2.179 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001029844224 687306653 /nfs/dbraw/zinc/30/66/53/687306653.db2.gz YSDCQZLONUSWKN-OALUTQOASA-N 1 3 342.487 2.179 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000977655195 692884443 /nfs/dbraw/zinc/88/44/43/692884443.db2.gz NNDJROQPAHMEBZ-GOSISDBHSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC2(C)C)CC1 ZINC000977655195 692884449 /nfs/dbraw/zinc/88/44/49/692884449.db2.gz NNDJROQPAHMEBZ-GOSISDBHSA-N 1 3 331.504 2.124 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027578574 693202731 /nfs/dbraw/zinc/20/27/31/693202731.db2.gz NWHHXCLKWZSBRC-MOPGFXCFSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027578574 693202737 /nfs/dbraw/zinc/20/27/37/693202737.db2.gz NWHHXCLKWZSBRC-MOPGFXCFSA-N 1 3 342.487 2.321 20 30 EEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)CCC1 ZINC001105541967 1188154822 /nfs/dbraw/zinc/15/48/22/1188154822.db2.gz MJLVDRUCDKXGHQ-SFHVURJKSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001034045498 1195697001 /nfs/dbraw/zinc/69/70/01/1195697001.db2.gz JWYSRSCRSAFKDT-WMZOPIPTSA-N 1 3 337.483 2.003 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC[C@H](C)F)C2)CC1 ZINC001034045498 1195697003 /nfs/dbraw/zinc/69/70/03/1195697003.db2.gz JWYSRSCRSAFKDT-WMZOPIPTSA-N 1 3 337.483 2.003 20 30 EEEDHO C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C(C)C ZINC001133410403 1200878544 /nfs/dbraw/zinc/87/85/44/1200878544.db2.gz DAAPJXMBOONFJS-UHFFFAOYSA-N 1 3 335.879 2.232 20 30 EEEDHO Cn1cc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)cc1C#N ZINC001275212408 1205281806 /nfs/dbraw/zinc/28/18/06/1205281806.db2.gz QXVXOKOEYGBHIT-RBUKOAKNSA-N 1 3 338.459 2.345 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314931 1217507179 /nfs/dbraw/zinc/50/71/79/1217507179.db2.gz QIFHEYDBBVDMOU-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314931 1217507182 /nfs/dbraw/zinc/50/71/82/1217507182.db2.gz QIFHEYDBBVDMOU-MSOLQXFVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674454 1221482801 /nfs/dbraw/zinc/48/28/01/1221482801.db2.gz QZAAQJCNCASOKI-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968674454 1221482805 /nfs/dbraw/zinc/48/28/05/1221482805.db2.gz QZAAQJCNCASOKI-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016860998 1226928709 /nfs/dbraw/zinc/92/87/09/1226928709.db2.gz MDZJNILNUDTGFA-ZWKOTPCHSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235858 1230469280 /nfs/dbraw/zinc/46/92/80/1230469280.db2.gz RTYNXDDEAAMTNB-RTBURBONSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039385094 1230570081 /nfs/dbraw/zinc/57/00/81/1230570081.db2.gz YBCRDWJSVHZQRP-OTWHNJEPSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039385094 1230570083 /nfs/dbraw/zinc/57/00/83/1230570083.db2.gz YBCRDWJSVHZQRP-OTWHNJEPSA-N 1 3 331.504 2.053 20 30 EEEDHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001045070582 1233483560 /nfs/dbraw/zinc/48/35/60/1233483560.db2.gz LVRDPPZXNWYPBY-HNNXBMFYSA-N 1 3 346.500 2.185 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979840 1234269228 /nfs/dbraw/zinc/26/92/28/1234269228.db2.gz KJLQOEKCSHRELB-ICSRJNTNSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045979840 1234269232 /nfs/dbraw/zinc/26/92/32/1234269232.db2.gz KJLQOEKCSHRELB-ICSRJNTNSA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001046849783 1235247089 /nfs/dbraw/zinc/24/70/89/1235247089.db2.gz JBHCQKXHHSWMBB-NRFANRHFSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001046849783 1235247092 /nfs/dbraw/zinc/24/70/92/1235247092.db2.gz JBHCQKXHHSWMBB-NRFANRHFSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CC2)C3)CC1 ZINC001047209873 1235673491 /nfs/dbraw/zinc/67/34/91/1235673491.db2.gz YYJCUNIGQHEFMX-SXLOBPIMSA-N 1 3 343.515 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC2CC2)C3)CC1 ZINC001047209873 1235673496 /nfs/dbraw/zinc/67/34/96/1235673496.db2.gz YYJCUNIGQHEFMX-SXLOBPIMSA-N 1 3 343.515 2.101 20 30 EEEDHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047258113 1235764137 /nfs/dbraw/zinc/76/41/37/1235764137.db2.gz XHZNAGSXXQWOCY-UYAOXDASSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C2 ZINC001048590322 1238042004 /nfs/dbraw/zinc/04/20/04/1238042004.db2.gz MSJJONQOZUVREO-FNLKRUPLSA-N 1 3 339.483 2.354 20 30 EEEDHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C2 ZINC001048590322 1238042018 /nfs/dbraw/zinc/04/20/18/1238042018.db2.gz MSJJONQOZUVREO-FNLKRUPLSA-N 1 3 339.483 2.354 20 30 EEEDHO C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001048628219 1238139783 /nfs/dbraw/zinc/13/97/83/1238139783.db2.gz AQKRCCSHDQPHKG-KRWDZBQOSA-N 1 3 342.487 2.012 20 30 EEEDHO C=CCN1CCC(N(Cc2ccccn2)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001048628219 1238139791 /nfs/dbraw/zinc/13/97/91/1238139791.db2.gz AQKRCCSHDQPHKG-KRWDZBQOSA-N 1 3 342.487 2.012 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001048919079 1239255418 /nfs/dbraw/zinc/25/54/18/1239255418.db2.gz PQQCHJOHEKQDDG-GASCZTMLSA-N 1 3 330.819 2.091 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001054144182 1247515253 /nfs/dbraw/zinc/51/52/53/1247515253.db2.gz RIOYJVGPHYJVJB-PZJWPPBQSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001054144182 1247515259 /nfs/dbraw/zinc/51/52/59/1247515259.db2.gz RIOYJVGPHYJVJB-PZJWPPBQSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054147780 1247527022 /nfs/dbraw/zinc/52/70/22/1247527022.db2.gz XYPOOANQZRRAPD-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001054147780 1247527025 /nfs/dbraw/zinc/52/70/25/1247527025.db2.gz XYPOOANQZRRAPD-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001054209762 1247725272 /nfs/dbraw/zinc/72/52/72/1247725272.db2.gz XFDZJPTVJSTJPL-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001098991434 1257918067 /nfs/dbraw/zinc/91/80/67/1257918067.db2.gz YJASAOGTELSCBE-HBFSDRIKSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991434 1257918076 /nfs/dbraw/zinc/91/80/76/1257918076.db2.gz YJASAOGTELSCBE-HBFSDRIKSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974138 1295058091 /nfs/dbraw/zinc/05/80/91/1295058091.db2.gz KYUDSRPIBKWNGY-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001215387826 1296885104 /nfs/dbraw/zinc/88/51/04/1296885104.db2.gz VDLGFQNNCZNFFE-QRQLOZEOSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215387826 1296885125 /nfs/dbraw/zinc/88/51/25/1296885125.db2.gz VDLGFQNNCZNFFE-QRQLOZEOSA-N 1 3 331.504 2.243 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540798 1296934409 /nfs/dbraw/zinc/93/44/09/1296934409.db2.gz QGHBVHCUGINZKB-IIDMSEBBSA-N 1 3 325.472 2.212 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295726 1299001505 /nfs/dbraw/zinc/00/15/05/1299001505.db2.gz QQYXDYZLMHDVPM-RBSFLKMASA-N 1 3 347.425 2.273 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C(F)(F)F ZINC001099295726 1299001519 /nfs/dbraw/zinc/00/15/19/1299001519.db2.gz QQYXDYZLMHDVPM-RBSFLKMASA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001228604308 1302334238 /nfs/dbraw/zinc/33/42/38/1302334238.db2.gz ZZSNPTPSLFCEMD-GPMSIDNRSA-N 1 3 337.483 2.239 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155237933 1317517320 /nfs/dbraw/zinc/51/73/20/1317517320.db2.gz QSCSQERRMUCGCB-CRAIPNDOSA-N 1 3 325.472 2.049 20 30 EEEDHO CCCCCCCC[C@@H](N)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001122118560 1310226005 /nfs/dbraw/zinc/22/60/05/1310226005.db2.gz JHWAQSLWFGOOKD-IAGOWNOFSA-N 1 3 339.524 2.339 20 30 EEEDHO C#CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001138560198 1314630859 /nfs/dbraw/zinc/63/08/59/1314630859.db2.gz LASNNPVNPOFBNL-UHFFFAOYSA-N 1 3 341.499 2.158 20 30 EEEDHO CC(C)[C@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC001152471013 1316676540 /nfs/dbraw/zinc/67/65/40/1316676540.db2.gz IHOOFKQQISFLHL-GOSISDBHSA-N 1 3 346.450 2.024 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155237933 1317517311 /nfs/dbraw/zinc/51/73/11/1317517311.db2.gz QSCSQERRMUCGCB-CRAIPNDOSA-N 1 3 325.472 2.049 20 30 EEEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155621004 1317676957 /nfs/dbraw/zinc/67/69/57/1317676957.db2.gz LDXBPNVOLMQBNP-MSOLQXFVSA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001155621004 1317676961 /nfs/dbraw/zinc/67/69/61/1317676961.db2.gz LDXBPNVOLMQBNP-MSOLQXFVSA-N 1 3 339.524 2.279 20 30 EEEDHO C=C[C@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001253576721 1317884934 /nfs/dbraw/zinc/88/49/34/1317884934.db2.gz HEMUMNSFFDYSPK-OALUTQOASA-N 1 3 330.472 2.289 20 30 EEEDHO C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001158029705 1318977322 /nfs/dbraw/zinc/97/73/22/1318977322.db2.gz MAXVXFMWFDAQTG-IAGOWNOFSA-N 1 3 325.472 2.003 20 30 EEEDHO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001158029705 1318977323 /nfs/dbraw/zinc/97/73/23/1318977323.db2.gz MAXVXFMWFDAQTG-IAGOWNOFSA-N 1 3 325.472 2.003 20 30 EEEDHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001158403234 1319221297 /nfs/dbraw/zinc/22/12/97/1319221297.db2.gz BRGCVWVWXPWYET-FUHWJXTLSA-N 1 3 346.450 2.024 20 30 EEEDHO CC[C@@H]1[C@@H](C(=O)NCCCNCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001158403234 1319221303 /nfs/dbraw/zinc/22/13/03/1319221303.db2.gz BRGCVWVWXPWYET-FUHWJXTLSA-N 1 3 346.450 2.024 20 30 EEEDHO CN(C)C1(C(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)CCC1 ZINC001159854286 1320005346 /nfs/dbraw/zinc/00/53/46/1320005346.db2.gz OLZDFLFIFRBCLN-UHFFFAOYSA-N 1 3 347.890 2.272 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832054 1320970398 /nfs/dbraw/zinc/97/03/98/1320970398.db2.gz JAAIQOISGTYZBL-UHFFFAOYSA-N 1 3 329.488 2.318 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163007040 1321011957 /nfs/dbraw/zinc/01/19/57/1321011957.db2.gz NOMVBLOKIVEUGI-UHFFFAOYSA-N 1 3 329.488 2.011 20 30 EEEDHO C[C@H]1C[C@@H](C(=O)NCCCNCc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC001164574317 1321421977 /nfs/dbraw/zinc/42/19/77/1321421977.db2.gz HETHMHIRWDSDJP-HOCLYGCPSA-N 1 3 346.450 2.024 20 30 EEEDHO C[C@H]1C[C@@H](C(=O)NCCCNCc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001164574317 1321421980 /nfs/dbraw/zinc/42/19/80/1321421980.db2.gz HETHMHIRWDSDJP-HOCLYGCPSA-N 1 3 346.450 2.024 20 30 EEEDHO C=CCCC[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001263121471 1322435733 /nfs/dbraw/zinc/43/57/33/1322435733.db2.gz XMGWTFINMNOHCR-YJBOKZPZSA-N 1 3 330.476 2.407 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001317263846 1332157660 /nfs/dbraw/zinc/15/76/60/1332157660.db2.gz FPJVLYHWRFLCJG-CRAIPNDOSA-N 1 3 349.906 2.372 20 30 EEEDHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001134759602 1367777132 /nfs/dbraw/zinc/77/71/32/1367777132.db2.gz UXMSTWZDGZVACU-GOSISDBHSA-N 1 3 346.450 2.166 20 30 EEEDHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001134759602 1367777140 /nfs/dbraw/zinc/77/71/40/1367777140.db2.gz UXMSTWZDGZVACU-GOSISDBHSA-N 1 3 346.450 2.166 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001367862041 1374291572 /nfs/dbraw/zinc/29/15/72/1374291572.db2.gz MGGLNAMNWHQCCZ-GOEBONIOSA-N 1 3 327.900 2.488 20 30 EEEDHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001371769296 1375626460 /nfs/dbraw/zinc/62/64/60/1375626460.db2.gz JKEMJEZEJYZZAD-AWEZNQCLSA-N 1 3 346.450 2.166 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001377002961 1378911031 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20 30 EEEDHO C=CCN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998304196 792513655 /nfs/dbraw/zinc/51/36/55/792513655.db2.gz MSKNFCPKCSJPDK-GJZGRUSLSA-N 1 3 347.425 2.273 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738096 792599416 /nfs/dbraw/zinc/59/94/16/792599416.db2.gz QBVNEDSHGCDPOM-LMNJBCLMSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@]2(C)C1 ZINC001091738096 792599424 /nfs/dbraw/zinc/59/94/24/792599424.db2.gz QBVNEDSHGCDPOM-LMNJBCLMSA-N 1 3 343.515 2.197 20 30 EEEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384030 795127992 /nfs/dbraw/zinc/12/79/92/795127992.db2.gz SZEQBDDMSPYHCT-IBGZPJMESA-N 1 3 331.504 2.361 20 30 EEEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384030 795127997 /nfs/dbraw/zinc/12/79/97/795127997.db2.gz SZEQBDDMSPYHCT-IBGZPJMESA-N 1 3 331.504 2.361 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001040817865 798169275 /nfs/dbraw/zinc/16/92/75/798169275.db2.gz WGCRTEMFFGRAMQ-LJQANCHMSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001040817865 798169278 /nfs/dbraw/zinc/16/92/78/798169278.db2.gz WGCRTEMFFGRAMQ-LJQANCHMSA-N 1 3 345.531 2.446 20 30 EEEDHO N#Cc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170523848 812220859 /nfs/dbraw/zinc/22/08/59/812220859.db2.gz FVAPTVGNYIHNCO-UHFFFAOYSA-N 1 3 346.438 2.258 20 30 EEEDHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)CCC1 ZINC001501962104 1113538131 /nfs/dbraw/zinc/53/81/31/1113538131.db2.gz RFQLOYSCIRUFKQ-UHFFFAOYSA-N 1 3 346.500 2.233 20 30 EEEDHO CC(C)(C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)CN1CCCC1 ZINC000566125675 319248656 /nfs/dbraw/zinc/24/86/56/319248656.db2.gz UEICJPGWYVINIG-KRWDZBQOSA-N 1 3 331.460 2.010 20 30 EEEDHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CN1CCCCC1 ZINC000579582275 468379253 /nfs/dbraw/zinc/37/92/53/468379253.db2.gz SYNNVEQUFPDDBA-SJLPKXTDSA-N 1 3 331.460 2.010 20 30 EEEDHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000581602854 468496076 /nfs/dbraw/zinc/49/60/76/468496076.db2.gz WHQOJXQQDXONGB-SFHVURJKSA-N 1 3 345.487 2.345 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)C(C)C ZINC000417066637 466769371 /nfs/dbraw/zinc/76/93/71/466769371.db2.gz QUWQQXLTHBKIEC-KRWDZBQOSA-N 1 3 336.524 2.374 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417541427 466880102 /nfs/dbraw/zinc/88/01/02/466880102.db2.gz RHKYSKKMPLVKPA-GOSISDBHSA-N 1 3 348.535 2.447 20 30 EEEDHO C=CCN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000573383083 469120766 /nfs/dbraw/zinc/12/07/66/469120766.db2.gz GRTHAKVPQBFLGK-ZWKOTPCHSA-N 1 3 347.890 2.410 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC000982834428 681356914 /nfs/dbraw/zinc/35/69/14/681356914.db2.gz ZLEJJTMSTLUWCH-NRSPTQNISA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025245965 682313998 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EEEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569219 1187406418 /nfs/dbraw/zinc/40/64/18/1187406418.db2.gz LAZZQEVNSFXGPW-LMMKCTJWSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569219 1187406419 /nfs/dbraw/zinc/40/64/19/1187406419.db2.gz LAZZQEVNSFXGPW-LMMKCTJWSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105579247 1188194692 /nfs/dbraw/zinc/19/46/92/1188194692.db2.gz NBWBVNKWWHNHSP-GOSISDBHSA-N 1 3 333.520 2.491 20 30 EEEDHO CN(C(=O)CCC[NH+](C)C)C1CC(NCc2ccc(C#N)cc2F)C1 ZINC001486475229 1193988701 /nfs/dbraw/zinc/98/87/01/1193988701.db2.gz FNUPXJUZMJEZKR-UHFFFAOYSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537712 1196358109 /nfs/dbraw/zinc/35/81/09/1196358109.db2.gz NRYNYIKLIDSJLE-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034537712 1196358115 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20 30 EEEDHO C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047243612 1235733871 /nfs/dbraw/zinc/73/38/71/1235733871.db2.gz LVIFMZSGBMLFFJ-RBUKOAKNSA-N 1 3 333.520 2.463 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049767758 1242133942 /nfs/dbraw/zinc/13/39/42/1242133942.db2.gz RAQDQLIZOVFBBN-IPMKNSEASA-N 1 3 331.504 2.338 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCCN1C(C)C ZINC001049767758 1242133947 /nfs/dbraw/zinc/13/39/47/1242133947.db2.gz RAQDQLIZOVFBBN-IPMKNSEASA-N 1 3 331.504 2.338 20 30 EEEDHO C#CCC[N@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001001467893 1242328397 /nfs/dbraw/zinc/32/83/97/1242328397.db2.gz OGCQFKYUSVWADA-UHFFFAOYSA-N 1 3 325.456 2.133 20 30 EEEDHO C#CCC[N@@H+]1CC=C(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001001467893 1242328404 /nfs/dbraw/zinc/32/84/04/1242328404.db2.gz OGCQFKYUSVWADA-UHFFFAOYSA-N 1 3 325.456 2.133 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC=C(C)C)CC1 ZINC001049909346 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C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCCCCC ZINC001099536242 1258194350 /nfs/dbraw/zinc/19/43/50/1258194350.db2.gz KHGZNZVPABBIQN-YRPNKDGESA-N 1 3 345.531 2.301 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001187298892 1279498137 /nfs/dbraw/zinc/49/81/37/1279498137.db2.gz PQIYHHIIJBYFPH-CQSZACIVSA-N 1 3 334.489 2.042 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001187298892 1279498143 /nfs/dbraw/zinc/49/81/43/1279498143.db2.gz PQIYHHIIJBYFPH-CQSZACIVSA-N 1 3 334.489 2.042 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660978 1292283535 /nfs/dbraw/zinc/28/35/35/1292283535.db2.gz KPXLMMWDKXDYPI-MKXGPGLRSA-N 1 3 349.519 2.173 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660978 1292283539 /nfs/dbraw/zinc/28/35/39/1292283539.db2.gz KPXLMMWDKXDYPI-MKXGPGLRSA-N 1 3 349.519 2.173 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001211268287 1295789216 /nfs/dbraw/zinc/78/92/16/1295789216.db2.gz HSGCEUUTKIYXLH-KRWDZBQOSA-N 1 3 346.450 2.118 20 30 EEEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)cc1 ZINC001219537919 1298051640 /nfs/dbraw/zinc/05/16/40/1298051640.db2.gz RNKOAFLVXLPZBW-HDMKZQKVSA-N 1 3 348.406 2.035 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224169141 1300464479 /nfs/dbraw/zinc/46/44/79/1300464479.db2.gz GTUDSQWJGJIDEY-MOPGFXCFSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(C)C)CC1 ZINC001230251691 1303128483 /nfs/dbraw/zinc/12/84/83/1303128483.db2.gz FAZBDTYIQBGENH-RTBURBONSA-N 1 3 331.504 2.315 20 30 EEEDHO C=CCC[N@@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230906178 1303538745 /nfs/dbraw/zinc/53/87/45/1303538745.db2.gz OTYNEDPQHVWFLL-UHFFFAOYSA-N 1 3 332.492 2.308 20 30 EEEDHO C=CCC[N@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230906178 1303538749 /nfs/dbraw/zinc/53/87/49/1303538749.db2.gz OTYNEDPQHVWFLL-UHFFFAOYSA-N 1 3 332.492 2.308 20 30 EEEDHO C=CCOCC[NH2+]C1CC2(CC(NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231401 1310244007 /nfs/dbraw/zinc/24/40/07/1310244007.db2.gz JWIRXKWEBAWTHI-RUEDAHMLSA-N 1 3 349.519 2.079 20 30 EEEDHO CCc1cc(C#N)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001248751539 1310931210 /nfs/dbraw/zinc/93/12/10/1310931210.db2.gz ZMQMQSZLRYPSPN-UHFFFAOYSA-N 1 3 326.488 2.332 20 30 EEEDHO N#Cc1c2c(cnc1N1CCN[C@H](c3ccccc3)C1)C[NH2+]CCC2 ZINC001157758753 1318841715 /nfs/dbraw/zinc/84/17/15/1318841715.db2.gz DJLPBJMGPIYILV-IBGZPJMESA-N 1 3 333.439 2.140 20 30 EEEDHO N#Cc1ccccc1CNCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834980 1320283969 /nfs/dbraw/zinc/28/39/69/1320283969.db2.gz STUGVAVVCDRCIK-UHFFFAOYSA-N 1 3 340.471 2.030 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649618 1320570255 /nfs/dbraw/zinc/57/02/55/1320570255.db2.gz PCPHSUPMILMHNJ-CQSZACIVSA-N 1 3 346.313 2.111 20 30 EEEDHO C=C(Br)CNCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649618 1320570259 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2.436 20 30 EEEDHO C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccccc1C#N ZINC001379186523 1380624883 /nfs/dbraw/zinc/62/48/83/1380624883.db2.gz ZQQWLYRXMLLXKZ-MOPGFXCFSA-N 1 3 342.487 2.275 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1)N(C)C ZINC001380893508 1381425341 /nfs/dbraw/zinc/42/53/41/1381425341.db2.gz AEPCQVIKCXZMDD-SFHVURJKSA-N 1 3 342.487 2.273 20 30 EEEDHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CCC1)N(C)C ZINC001402583264 1398071644 /nfs/dbraw/zinc/07/16/44/1398071644.db2.gz YQILZSFQGGGJJW-KRWDZBQOSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccc(C#N)cc1 ZINC001402977746 1398301569 /nfs/dbraw/zinc/30/15/69/1398301569.db2.gz VLTXGSVGVJOJCL-QFBILLFUSA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001422596164 1400064634 /nfs/dbraw/zinc/06/46/34/1400064634.db2.gz DMUOHFHFRBOMSS-OAHLLOKOSA-N 1 3 346.450 2.168 20 30 EEEDHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001424313966 1401051776 /nfs/dbraw/zinc/05/17/76/1401051776.db2.gz KDHCZGXJABXJOF-SFHVURJKSA-N 1 3 330.476 2.179 20 30 EEEDHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001424313966 1401051785 /nfs/dbraw/zinc/05/17/85/1401051785.db2.gz KDHCZGXJABXJOF-SFHVURJKSA-N 1 3 330.476 2.179 20 30 EEEDHO C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC001576729764 1403600438 /nfs/dbraw/zinc/60/04/38/1403600438.db2.gz YDUKVBBLPCOKMX-GXTWGEPZSA-N 1 3 334.851 2.457 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529919 770345383 /nfs/dbraw/zinc/34/53/83/770345383.db2.gz VPRPAXALEYKOKL-BQFCYCMXSA-N 1 3 339.911 2.442 20 30 EEEDHO C=CC[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982159220 779197889 /nfs/dbraw/zinc/19/78/89/779197889.db2.gz AVYQUTAMNTUELW-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C=CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982159220 779197893 /nfs/dbraw/zinc/19/78/93/779197893.db2.gz AVYQUTAMNTUELW-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000945183875 783574873 /nfs/dbraw/zinc/57/48/73/783574873.db2.gz UGTFCAWONNKVQW-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC000945183875 783574878 /nfs/dbraw/zinc/57/48/78/783574878.db2.gz UGTFCAWONNKVQW-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001036193316 785964328 /nfs/dbraw/zinc/96/43/28/785964328.db2.gz MESIJZPQWVVMDN-UKRRQHHQSA-N 1 3 327.900 2.297 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001091065362 789687647 /nfs/dbraw/zinc/68/76/47/789687647.db2.gz BDDKMSBPXZGNMX-HWOWSKLDSA-N 1 3 327.900 2.201 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001091065362 789687648 /nfs/dbraw/zinc/68/76/48/789687648.db2.gz BDDKMSBPXZGNMX-HWOWSKLDSA-N 1 3 327.900 2.201 20 30 EEEDHO C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585545 791338512 /nfs/dbraw/zinc/33/85/12/791338512.db2.gz ZVBVURBFIBTVHG-IAGOWNOFSA-N 1 3 347.503 2.437 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001146594830 791365906 /nfs/dbraw/zinc/36/59/06/791365906.db2.gz VHRVLCRRQQXLGL-ZWKOTPCHSA-N 1 3 329.488 2.251 20 30 EEEDHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1)N(C)C ZINC000998085869 791939057 /nfs/dbraw/zinc/93/90/57/791939057.db2.gz ITSQJUHVVGCVHN-IBGZPJMESA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000998103160 791970907 /nfs/dbraw/zinc/97/09/07/791970907.db2.gz PHXJRNZYMMRJJD-RTBURBONSA-N 1 3 333.520 2.445 20 30 EEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000998103160 791970914 /nfs/dbraw/zinc/97/09/14/791970914.db2.gz PHXJRNZYMMRJJD-RTBURBONSA-N 1 3 333.520 2.445 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673562 792163045 /nfs/dbraw/zinc/16/30/45/792163045.db2.gz FRZAQXVGBXCBDD-OPYAIIAOSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673562 792163049 /nfs/dbraw/zinc/16/30/49/792163049.db2.gz FRZAQXVGBXCBDD-OPYAIIAOSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC000992504101 794433600 /nfs/dbraw/zinc/43/36/00/794433600.db2.gz GBUVPUYQPQMXKV-TZIWHRDSSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504101 794433602 /nfs/dbraw/zinc/43/36/02/794433602.db2.gz GBUVPUYQPQMXKV-TZIWHRDSSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992691381 795106700 /nfs/dbraw/zinc/10/67/00/795106700.db2.gz NRSWPKNGPIOIDE-RCCFBDPRSA-N 1 3 331.504 2.101 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672413 796085773 /nfs/dbraw/zinc/08/57/73/796085773.db2.gz UNUZDWYJNCZFTB-UKRRQHHQSA-N 1 3 329.916 2.401 20 30 EEEDHO C#CCCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H]1C ZINC000993617477 796843630 /nfs/dbraw/zinc/84/36/30/796843630.db2.gz CSNPIYMHKHOQLQ-PXNSSMCTSA-N 1 3 341.499 2.397 20 30 EEEDHO CN1CCC[C@@H]1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426435 797447432 /nfs/dbraw/zinc/44/74/32/797447432.db2.gz ZAHPXIMVVJANKF-LJQANCHMSA-N 1 3 340.471 2.237 20 30 EEEDHO C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176753052 798568874 /nfs/dbraw/zinc/56/88/74/798568874.db2.gz CNDZAMIJGHZNIQ-AWEZNQCLSA-N 1 3 348.329 2.500 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549283 802350959 /nfs/dbraw/zinc/35/09/59/802350959.db2.gz XDSIBZYDUCJLBW-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549283 802350970 /nfs/dbraw/zinc/35/09/70/802350970.db2.gz XDSIBZYDUCJLBW-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N(C)CC)C2 ZINC001108717591 804387251 /nfs/dbraw/zinc/38/72/51/804387251.db2.gz PONNTKFWCCKIJB-KKUMJFAQSA-N 1 3 327.900 2.438 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001129418603 810833003 /nfs/dbraw/zinc/83/30/03/810833003.db2.gz VKWCBLYHZFMULB-QGZVFWFLSA-N 1 3 346.450 2.166 20 30 EEEDHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)c(F)c1 ZINC001129418603 810833011 /nfs/dbraw/zinc/83/30/11/810833011.db2.gz VKWCBLYHZFMULB-QGZVFWFLSA-N 1 3 346.450 2.166 20 30 EEEDHO N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC001129430331 810850642 /nfs/dbraw/zinc/85/06/42/810850642.db2.gz SRLAHAIZQCILOO-IBGZPJMESA-N 1 3 340.471 2.171 20 30 EEEDHO N#Cc1cccc(CNCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC001129430331 810850649 /nfs/dbraw/zinc/85/06/49/810850649.db2.gz SRLAHAIZQCILOO-IBGZPJMESA-N 1 3 340.471 2.171 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086624114 810936102 /nfs/dbraw/zinc/93/61/02/810936102.db2.gz NWCYSRAQJHMAGQ-CEXWTWQISA-N 1 3 327.472 2.098 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086624114 810936106 /nfs/dbraw/zinc/93/61/06/810936106.db2.gz NWCYSRAQJHMAGQ-CEXWTWQISA-N 1 3 327.472 2.098 20 30 EEEDHO C=CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)N(C)CC)C1 ZINC001130401705 811580773 /nfs/dbraw/zinc/58/07/73/811580773.db2.gz LCKDEKBYRGRGKU-HNNXBMFYSA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C(C)(C)N(C)CC)C1 ZINC001130401705 811580777 /nfs/dbraw/zinc/58/07/77/811580777.db2.gz LCKDEKBYRGRGKU-HNNXBMFYSA-N 1 3 347.507 2.122 20 30 EEEDHO C=C(Br)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001440131798 1093197823 /nfs/dbraw/zinc/19/78/23/1093197823.db2.gz ZMOBQCIPUCJYQW-KGLIPLIRSA-N 1 3 346.313 2.063 20 30 EEEDHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001440467478 1093692066 /nfs/dbraw/zinc/69/20/66/1093692066.db2.gz KDHCZGXJABXJOF-GOSISDBHSA-N 1 3 330.476 2.179 20 30 EEEDHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001440467478 1093692069 /nfs/dbraw/zinc/69/20/69/1093692069.db2.gz KDHCZGXJABXJOF-GOSISDBHSA-N 1 3 330.476 2.179 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001440599557 1093864559 /nfs/dbraw/zinc/86/45/59/1093864559.db2.gz PDBNCVQPHRGRGY-WMLDXEAASA-N 1 3 348.516 2.288 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC001440599557 1093864563 /nfs/dbraw/zinc/86/45/63/1093864563.db2.gz PDBNCVQPHRGRGY-WMLDXEAASA-N 1 3 348.516 2.288 20 30 EEEDHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001496238873 1100806765 /nfs/dbraw/zinc/80/67/65/1100806765.db2.gz OTKDOIJKWGIKEZ-HNNXBMFYSA-N 1 3 348.516 2.432 20 30 EEEDHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001497216330 1102139259 /nfs/dbraw/zinc/13/92/59/1102139259.db2.gz QIJUDQNJHCGBQX-MAUKXSAKSA-N 1 3 333.451 2.002 20 30 EEEDHO Cc1cc(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)[nH+]c(C)n1 ZINC000496185946 247369019 /nfs/dbraw/zinc/36/90/19/247369019.db2.gz LWHCCTLLYXJPQG-JTQLQIEISA-N 1 3 333.392 2.417 20 30 EEEDHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528353723 267057032 /nfs/dbraw/zinc/05/70/32/267057032.db2.gz UTBPMWHEFJILBL-IBGZPJMESA-N 1 3 345.487 2.352 20 30 EEEDHO C=C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000358301078 465046188 /nfs/dbraw/zinc/04/61/88/465046188.db2.gz OQNDUVJPHYFZFR-LSDHHAIUSA-N 1 3 339.505 2.142 20 30 EEEDHO C#CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154256633 462746952 /nfs/dbraw/zinc/74/69/52/462746952.db2.gz ONHZQRRVNSBZHT-GOSISDBHSA-N 1 3 329.488 2.377 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC000050025749 462984524 /nfs/dbraw/zinc/98/45/24/462984524.db2.gz RPYPNFWPAYKXQW-FQEVSTJZSA-N 1 3 341.499 2.313 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137448705 463293399 /nfs/dbraw/zinc/29/33/99/463293399.db2.gz FCJYMSWXSYFYPJ-FXAWDEMLSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137448705 463293401 /nfs/dbraw/zinc/29/34/01/463293401.db2.gz FCJYMSWXSYFYPJ-FXAWDEMLSA-N 1 3 339.483 2.111 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000171721693 463913697 /nfs/dbraw/zinc/91/36/97/463913697.db2.gz RAZIPGWZIFARDL-QFBILLFUSA-N 1 3 336.524 2.447 20 30 EEEDHO C#CCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289456763 464079185 /nfs/dbraw/zinc/07/91/85/464079185.db2.gz NXLUFSKNGBGQQJ-UHFFFAOYSA-N 1 3 341.499 2.158 20 30 EEEDHO CCN(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccco1 ZINC000264068174 464279717 /nfs/dbraw/zinc/27/97/17/464279717.db2.gz BZVPPYSDEMCPJI-HZPDHXFCSA-N 1 3 335.496 2.051 20 30 EEEDHO CN1CCN(CCCNC(=[NH2+])NC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000264136737 464286648 /nfs/dbraw/zinc/28/66/48/464286648.db2.gz ZWWSYEDFGFRSEN-QGZVFWFLSA-N 1 3 331.508 2.068 20 30 EEEDHO C[NH+](C)CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551996 468420620 /nfs/dbraw/zinc/42/06/20/468420620.db2.gz SBAJCLWCHBYLMB-FUHWJXTLSA-N 1 3 333.476 2.254 20 30 EEEDHO 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342.487 2.323 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001393881495 1390574534 /nfs/dbraw/zinc/57/45/34/1390574534.db2.gz GMOPIDWUSPLHTP-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCCC2CCCC2)CC1 ZINC001753074718 1406666741 /nfs/dbraw/zinc/66/67/41/1406666741.db2.gz RSZRJTWHLXCGOT-UHFFFAOYSA-N 1 3 333.520 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCCC2CCCC2)CC1 ZINC001753074718 1406666747 /nfs/dbraw/zinc/66/67/47/1406666747.db2.gz RSZRJTWHLXCGOT-UHFFFAOYSA-N 1 3 333.520 2.350 20 30 EEEDHO C[C@@H]1[C@H](NCC#Cc2ccccc2Cl)CCN1C(=O)CC[NH+](C)C ZINC001755658162 1407709348 /nfs/dbraw/zinc/70/93/48/1407709348.db2.gz GJOFTKDNQYEZBS-CRAIPNDOSA-N 1 3 347.890 2.222 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710261 770921848 /nfs/dbraw/zinc/92/18/48/770921848.db2.gz KDJSKBRYSCCWHT-RCCFBDPRSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979710261 770921852 /nfs/dbraw/zinc/92/18/52/770921852.db2.gz KDJSKBRYSCCWHT-RCCFBDPRSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070903 773472815 /nfs/dbraw/zinc/47/28/15/773472815.db2.gz SZWCLPDMZJDFMU-XLIONFOSSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070903 773472820 /nfs/dbraw/zinc/47/28/20/773472820.db2.gz SZWCLPDMZJDFMU-XLIONFOSSA-N 1 3 345.531 2.491 20 30 EEEDHO C[NH+](C)CC1(C(=O)NCCNCc2cccc(C#N)c2)CCCCC1 ZINC001131793741 783227443 /nfs/dbraw/zinc/22/74/43/783227443.db2.gz ACUUVEXYDFMEMJ-UHFFFAOYSA-N 1 3 342.487 2.276 20 30 EEEDHO C[N@H+](CCC(=O)NCCNCc1ccc(C#N)s1)C1CCCCC1 ZINC001131815486 783299075 /nfs/dbraw/zinc/29/90/75/783299075.db2.gz FSDOIGUNCKIPQH-UHFFFAOYSA-N 1 3 348.516 2.480 20 30 EEEDHO C[N@@H+](CCC(=O)NCCNCc1ccc(C#N)s1)C1CCCCC1 ZINC001131815486 783299085 /nfs/dbraw/zinc/29/90/85/783299085.db2.gz FSDOIGUNCKIPQH-UHFFFAOYSA-N 1 3 348.516 2.480 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF)CC1 ZINC001146613925 791376698 /nfs/dbraw/zinc/37/66/98/791376698.db2.gz VLWKKPDSULBBRC-IRXDYDNUSA-N 1 3 339.499 2.344 20 30 EEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001086924462 792996609 /nfs/dbraw/zinc/99/66/09/792996609.db2.gz SYIHQUVJHHVESQ-RCCFBDPRSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924462 792996616 /nfs/dbraw/zinc/99/66/16/792996616.db2.gz SYIHQUVJHHVESQ-RCCFBDPRSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925306 792999025 /nfs/dbraw/zinc/99/90/25/792999025.db2.gz RZDBZLSLCOUGHS-GBESFXJTSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001086925306 792999034 /nfs/dbraw/zinc/99/90/34/792999034.db2.gz RZDBZLSLCOUGHS-GBESFXJTSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992504040 794433020 /nfs/dbraw/zinc/43/30/20/794433020.db2.gz GAWCYIOWCOLCCO-PZJWPPBQSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992504040 794433026 /nfs/dbraw/zinc/43/30/26/794433026.db2.gz GAWCYIOWCOLCCO-PZJWPPBQSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CC=C(C)C)CC3)CC1 ZINC000992504081 794433238 /nfs/dbraw/zinc/43/32/38/794433238.db2.gz GBUVPUYQPQMXKV-CTNGQTDRSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC=C(C)C)CC3)CC1 ZINC000992504081 794433244 /nfs/dbraw/zinc/43/32/44/794433244.db2.gz GBUVPUYQPQMXKV-CTNGQTDRSA-N 1 3 343.515 2.411 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506695 794446556 /nfs/dbraw/zinc/44/65/56/794446556.db2.gz JSQFJMQIJKEWPA-UYAOXDASSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506695 794446562 /nfs/dbraw/zinc/44/65/62/794446562.db2.gz JSQFJMQIJKEWPA-UYAOXDASSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506676 794447223 /nfs/dbraw/zinc/44/72/23/794447223.db2.gz JSQFJMQIJKEWPA-ICSRJNTNSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506676 794447228 /nfs/dbraw/zinc/44/72/28/794447228.db2.gz JSQFJMQIJKEWPA-ICSRJNTNSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001093224463 794879431 /nfs/dbraw/zinc/87/94/31/794879431.db2.gz XSHOMROQHIWFSX-IEBWSBKVSA-N 1 3 347.547 2.452 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)CC1 ZINC001093224463 794879436 /nfs/dbraw/zinc/87/94/36/794879436.db2.gz XSHOMROQHIWFSX-IEBWSBKVSA-N 1 3 347.547 2.452 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001093369761 795099669 /nfs/dbraw/zinc/09/96/69/795099669.db2.gz GJVKDFKWXXOFJP-QRQLOZEOSA-N 1 3 343.515 2.053 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093369761 795099676 /nfs/dbraw/zinc/09/96/76/795099676.db2.gz GJVKDFKWXXOFJP-QRQLOZEOSA-N 1 3 343.515 2.053 20 30 EEEDHO C#CCCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC000993617480 796843884 /nfs/dbraw/zinc/84/38/84/796843884.db2.gz CSNPIYMHKHOQLQ-XLIONFOSSA-N 1 3 341.499 2.397 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001094999573 797211116 /nfs/dbraw/zinc/21/11/16/797211116.db2.gz IVYBGNNLCSTBFH-JYJNAYRXSA-N 1 3 339.911 2.440 20 30 EEEDHO C#CCCN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001367 797246828 /nfs/dbraw/zinc/24/68/28/797246828.db2.gz CPPLTSLSYGUCFX-LPHOPBHVSA-N 1 3 327.472 2.354 20 30 EEEDHO C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849757 798504132 /nfs/dbraw/zinc/50/41/32/798504132.db2.gz SBYLIMBBORUQGP-RTBURBONSA-N 1 3 327.472 2.471 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCC2CCCC2)CC1 ZINC001176926119 798630171 /nfs/dbraw/zinc/63/01/71/798630171.db2.gz GYUVCVUHEKRKNA-UHFFFAOYSA-N 1 3 333.520 2.398 20 30 EEEDHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001183040556 801436059 /nfs/dbraw/zinc/43/60/59/801436059.db2.gz SSZSOIVQZVETLW-WOJBJXKFSA-N 1 3 339.483 2.103 20 30 EEEDHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001183040556 801436068 /nfs/dbraw/zinc/43/60/68/801436068.db2.gz SSZSOIVQZVETLW-WOJBJXKFSA-N 1 3 339.483 2.103 20 30 EEEDHO C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349472 803336974 /nfs/dbraw/zinc/33/69/74/803336974.db2.gz HDYAZSFSNXRNPK-IEBWSBKVSA-N 1 3 339.524 2.280 20 30 EEEDHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC001438527972 1091020624 /nfs/dbraw/zinc/02/06/24/1091020624.db2.gz GOWWJFOPXMAFMA-INIZCTEOSA-N 1 3 344.503 2.378 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713164 1106940208 /nfs/dbraw/zinc/94/02/08/1106940208.db2.gz ZJBLMCQYWFJHET-MOPGFXCFSA-N 1 3 342.487 2.417 20 30 EEEDHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC001498770790 1108069055 /nfs/dbraw/zinc/06/90/55/1108069055.db2.gz QZFVXRTWFXKFLZ-IBGZPJMESA-N 1 3 340.471 2.027 20 30 EEEDHO CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000261978860 463916251 /nfs/dbraw/zinc/91/62/51/463916251.db2.gz OINGBXZBMLNLJA-ZFWWWQNUSA-N 1 3 348.520 2.180 20 30 EEEDHO C[C@H](NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330237131 465580674 /nfs/dbraw/zinc/58/06/74/465580674.db2.gz AMJCGEDYUOAROA-HRCADAONSA-N 1 3 345.491 2.355 20 30 EEEDHO C[C@H](NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330237131 465580677 /nfs/dbraw/zinc/58/06/77/465580677.db2.gz AMJCGEDYUOAROA-HRCADAONSA-N 1 3 345.491 2.355 20 30 EEEDHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc2c(C#N)cnn2c1 ZINC000555553044 468483509 /nfs/dbraw/zinc/48/35/09/468483509.db2.gz YCOFUCARMCNXTP-HNNXBMFYSA-N 1 3 326.448 2.345 20 30 EEEDHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc2c(C#N)cnn2c1 ZINC000555553044 468483512 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EEEDHO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CN(C)CCC)[C@@H](C)C1 ZINC001423449555 1187032647 /nfs/dbraw/zinc/03/26/47/1187032647.db2.gz JNLDZPJHBUVFBQ-UONOGXRCSA-N 1 3 346.313 2.206 20 30 EEEDHO N#Cc1ccccc1CN[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969214185 674710201 /nfs/dbraw/zinc/71/02/01/674710201.db2.gz YITDGRHHAQHMLC-GOSISDBHSA-N 1 3 345.406 2.210 20 30 EEEDHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001021707793 676366835 /nfs/dbraw/zinc/36/68/35/676366835.db2.gz YGKZWIJSRMJFNW-RBUKOAKNSA-N 1 3 331.504 2.053 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC000972267140 678470829 /nfs/dbraw/zinc/47/08/29/678470829.db2.gz SMCUTHZSEVARAK-RBUKOAKNSA-N 1 3 342.487 2.177 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001023128022 679135822 /nfs/dbraw/zinc/13/58/22/679135822.db2.gz MXOFOLHTHAPBKS-HCABLIJQSA-N 1 3 345.531 2.395 20 30 EEEDHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025301264 682414404 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EEEDHO N#Cc1ccc(CN[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)s1 ZINC001019812274 1229359035 /nfs/dbraw/zinc/35/90/35/1229359035.db2.gz GQFVLNMADHEJSI-HNNXBMFYSA-N 1 3 346.500 2.186 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228613 1230461446 /nfs/dbraw/zinc/46/14/46/1230461446.db2.gz GLUTZWYYNUEIDS-RTBURBONSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228613 1230461448 /nfs/dbraw/zinc/46/14/48/1230461448.db2.gz GLUTZWYYNUEIDS-RTBURBONSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC2(CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001040911228 1231402503 /nfs/dbraw/zinc/40/25/03/1231402503.db2.gz AGOOFSXISRUCDO-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042366358 1232048812 /nfs/dbraw/zinc/04/88/12/1232048812.db2.gz VFZZJKLBYDENSE-IEBWSBKVSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042366358 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CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210217042 1325202900 /nfs/dbraw/zinc/20/29/00/1325202900.db2.gz CHEPVSFKMJNWPS-AWEZNQCLSA-N 1 3 334.489 2.042 20 30 EEEDHO COc1ccc(C#N)cc1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001579185744 1344349438 /nfs/dbraw/zinc/34/94/38/1344349438.db2.gz MELBTUFROBWCHS-IEZWGBDMSA-N 1 3 329.444 2.285 20 30 EEEDHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1 ZINC001393562630 1390473534 /nfs/dbraw/zinc/47/35/34/1390473534.db2.gz LJHHLPCXZOGUIF-UHFFFAOYSA-N 1 3 346.450 2.168 20 30 EEEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001402893979 1398262441 /nfs/dbraw/zinc/26/24/41/1398262441.db2.gz ZLXFKAOEYLCPDK-INIZCTEOSA-N 1 3 327.900 2.251 20 30 EEEDHO C=C(Cl)CN(CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001402893979 1398262444 /nfs/dbraw/zinc/26/24/44/1398262444.db2.gz ZLXFKAOEYLCPDK-INIZCTEOSA-N 1 3 327.900 2.251 20 30 EEEDHO CC(C)[C@H](C(=O)NCC[C@@H](C)NCc1ccccc1C#N)[NH+](C)C ZINC001403435852 1399806937 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CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001112382036 796047229 /nfs/dbraw/zinc/04/72/29/796047229.db2.gz BBPXFXYATOSWAN-BJLQDIEVSA-N 1 3 331.504 2.102 20 30 EEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666746 796073627 /nfs/dbraw/zinc/07/36/27/796073627.db2.gz SLHRGGWIEIYDIB-MDZRGWNJSA-N 1 3 339.499 2.459 20 30 EEEDHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976914 797178382 /nfs/dbraw/zinc/17/83/82/797178382.db2.gz XBNMAXGLQDFRDA-OAGGEKHMSA-N 1 3 336.480 2.352 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295886 798052020 /nfs/dbraw/zinc/05/20/20/798052020.db2.gz KEQLUXXZDNEKHB-QGZVFWFLSA-N 1 3 341.540 2.432 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001176926634 798631251 /nfs/dbraw/zinc/63/12/51/798631251.db2.gz QYBQCOWCKVNARH-UHFFFAOYSA-N 1 3 341.499 2.245 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085200256 800237422 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EEEDHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1)N(C)C ZINC001438595392 1091084058 /nfs/dbraw/zinc/08/40/58/1091084058.db2.gz FAPZGFSBLSUNRI-GOSISDBHSA-N 1 3 342.487 2.417 20 30 EEEDHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC001438808973 1091420502 /nfs/dbraw/zinc/42/05/02/1091420502.db2.gz TUSMSDXCOMKKCU-MOPGFXCFSA-N 1 3 344.503 2.375 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480173291 1099751901 /nfs/dbraw/zinc/75/19/01/1099751901.db2.gz DKPHNBBLKZRPBY-JYJNAYRXSA-N 1 3 327.900 2.486 20 30 EEEDHO CN(CCC(=O)N(C)CCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000131741311 529870506 /nfs/dbraw/zinc/87/05/06/529870506.db2.gz BGWNSKSWSASJQK-LJQANCHMSA-N 1 3 342.487 2.202 20 30 EEEDHO CN(CCC(=O)N(C)CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000131741311 529870507 /nfs/dbraw/zinc/87/05/07/529870507.db2.gz BGWNSKSWSASJQK-LJQANCHMSA-N 1 3 342.487 2.202 20 30 EEEDHO CC[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000086763964 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ZINC001047256484 1235759697 /nfs/dbraw/zinc/75/96/97/1235759697.db2.gz KWISASCQRAJFIR-UYAOXDASSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CCN1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC001000185305 1240039045 /nfs/dbraw/zinc/03/90/45/1240039045.db2.gz NSYCBHFNIDOAMO-RTBURBONSA-N 1 3 343.515 2.387 20 30 EEEDHO CC#CCN1CCC(C2(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC001000185305 1240039048 /nfs/dbraw/zinc/03/90/48/1240039048.db2.gz NSYCBHFNIDOAMO-RTBURBONSA-N 1 3 343.515 2.387 20 30 EEEDHO C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837258 1242368566 /nfs/dbraw/zinc/36/85/66/1242368566.db2.gz ANXWYKWKHBCUSW-MOPGFXCFSA-N 1 3 331.504 2.360 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027115 1245704490 /nfs/dbraw/zinc/70/44/90/1245704490.db2.gz AFHNEQRVUZWQEM-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053027115 1245704499 /nfs/dbraw/zinc/70/44/99/1245704499.db2.gz AFHNEQRVUZWQEM-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053043778 1245754930 /nfs/dbraw/zinc/75/49/30/1245754930.db2.gz ZGSBOUCCVHXMSD-RBUKOAKNSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053043778 1245754938 /nfs/dbraw/zinc/75/49/38/1245754938.db2.gz ZGSBOUCCVHXMSD-RBUKOAKNSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001054198228 1247690534 /nfs/dbraw/zinc/69/05/34/1247690534.db2.gz SOBQVCBLZKHOJZ-UXHICEINSA-N 1 3 349.494 2.147 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001054198228 1247690542 /nfs/dbraw/zinc/69/05/42/1247690542.db2.gz SOBQVCBLZKHOJZ-UXHICEINSA-N 1 3 349.494 2.147 20 30 EEEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001218582535 1297720787 /nfs/dbraw/zinc/72/07/87/1297720787.db2.gz XTIXGVOZVXDYPN-HNNXBMFYSA-N 1 3 331.464 2.317 20 30 EEEDHO CC[N@H+](C)CCC(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001225088255 1300884838 /nfs/dbraw/zinc/88/48/38/1300884838.db2.gz YVZYLSJVKJJLCB-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO CC[N@@H+](C)CCC(=O)NCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001225088255 1300884862 /nfs/dbraw/zinc/88/48/62/1300884862.db2.gz YVZYLSJVKJJLCB-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731530 1316356190 /nfs/dbraw/zinc/35/61/90/1316356190.db2.gz MBTRJUGHCGNWJC-SFHVURJKSA-N 1 3 337.508 2.036 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001155394905 1317578983 /nfs/dbraw/zinc/57/89/83/1317578983.db2.gz ZHIGFQUIYUOVSM-RLLQIKCJSA-N 1 3 341.499 2.182 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001155394905 1317578987 /nfs/dbraw/zinc/57/89/87/1317578987.db2.gz ZHIGFQUIYUOVSM-RLLQIKCJSA-N 1 3 341.499 2.182 20 30 EEEDHO C=CCOC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252486090 1317614185 /nfs/dbraw/zinc/61/41/85/1317614185.db2.gz SOWMUSAACNHMPQ-YRPNKDGESA-N 1 3 330.472 2.335 20 30 EEEDHO C=CCOC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252486090 1317614188 /nfs/dbraw/zinc/61/41/88/1317614188.db2.gz SOWMUSAACNHMPQ-YRPNKDGESA-N 1 3 330.472 2.335 20 30 EEEDHO C=CCCCCCC[C@@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001253250396 1317807819 /nfs/dbraw/zinc/80/78/19/1317807819.db2.gz XYUCXXGFYXNFKZ-LJQANCHMSA-N 1 3 325.541 2.490 20 30 EEEDHO CC(C)(C(=O)NCCC[NH2+]Cc1ccc(C#N)s1)N1CCCCC1 ZINC001158073987 1318996331 /nfs/dbraw/zinc/99/63/31/1318996331.db2.gz UWYOTZQCEARCEK-UHFFFAOYSA-N 1 3 348.516 2.480 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567643 1320201160 /nfs/dbraw/zinc/20/11/60/1320201160.db2.gz HYZJNWPZGHKPJX-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001160567643 1320201166 /nfs/dbraw/zinc/20/11/66/1320201166.db2.gz HYZJNWPZGHKPJX-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452372 1323142817 /nfs/dbraw/zinc/14/28/17/1323142817.db2.gz CBAPEJJTXLPOSN-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001205626080 1323220672 /nfs/dbraw/zinc/22/06/72/1323220672.db2.gz WDBNHLJGLMFURD-QXAKKESOSA-N 1 3 345.462 2.073 20 30 EEEDHO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001207538708 1324011562 /nfs/dbraw/zinc/01/15/62/1324011562.db2.gz UTJOLCAEVMBFHE-BHIYHBOVSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC001207538708 1324011566 /nfs/dbraw/zinc/01/15/66/1324011566.db2.gz UTJOLCAEVMBFHE-BHIYHBOVSA-N 1 3 349.519 2.033 20 30 EEEDHO C#CCN(C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC001312787225 1331791821 /nfs/dbraw/zinc/79/18/21/1331791821.db2.gz DQXCTHMEEUZJCS-SFHVURJKSA-N 1 3 336.524 2.141 20 30 EEEDHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001389802488 1388306227 /nfs/dbraw/zinc/30/62/27/1388306227.db2.gz KZAZPYJHACMWQS-SFHVURJKSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400059 1374532353 /nfs/dbraw/zinc/53/23/53/1374532353.db2.gz KMCRYVNQIJCLGM-RHSMWYFYSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccc(F)c(C#N)c2)C[C@H]1C ZINC001369400059 1374532358 /nfs/dbraw/zinc/53/23/58/1374532358.db2.gz KMCRYVNQIJCLGM-RHSMWYFYSA-N 1 3 346.450 2.118 20 30 EEEDHO C=C(Br)C[NH2+][C@H]1CCC[C@@H](NC(=O)CN(C)CCC)C1 ZINC001371662282 1375563210 /nfs/dbraw/zinc/56/32/10/1375563210.db2.gz YKEDCCQFDLTZKR-UONOGXRCSA-N 1 3 346.313 2.254 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396016 1379204559 /nfs/dbraw/zinc/20/45/59/1379204559.db2.gz UJKQUHRUZJJKRL-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001377396016 1379204562 /nfs/dbraw/zinc/20/45/62/1379204562.db2.gz UJKQUHRUZJJKRL-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399331784 1394978883 /nfs/dbraw/zinc/97/88/83/1394978883.db2.gz CTXLLJOCLHJHTP-HNNXBMFYSA-N 1 3 328.460 2.027 20 30 EEEDHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001400915775 1396722062 /nfs/dbraw/zinc/72/20/62/1396722062.db2.gz LMALYVDCBOBOPC-HNNXBMFYSA-N 1 3 348.516 2.480 20 30 EEEDHO C=C(Cl)CNC[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001401068917 1396900436 /nfs/dbraw/zinc/90/04/36/1396900436.db2.gz CUDNSKDITXIJPC-QGZVFWFLSA-N 1 3 327.900 2.345 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271722 1407282049 /nfs/dbraw/zinc/28/20/49/1407282049.db2.gz VWNOKWVYVSTKIR-MSOLQXFVSA-N 1 3 341.499 2.323 20 30 EEEDHO C#CC[C@@]1(C(=O)NCCN2CCC3(CCCCC3)CC2)CCC[NH2+]1 ZINC001574518073 1403521853 /nfs/dbraw/zinc/52/18/53/1403521853.db2.gz TWGFNNIWDKUKLH-FQEVSTJZSA-N 1 3 331.504 2.294 20 30 EEEDHO C#CC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC001574517327 1403521924 /nfs/dbraw/zinc/52/19/24/1403521924.db2.gz MHOAHHHQCXPLMO-AZUAARDMSA-N 1 3 325.456 2.085 20 30 EEEDHO C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1C ZINC001104257009 757740287 /nfs/dbraw/zinc/74/02/87/757740287.db2.gz ZZGUGUGPCQUKFT-FVQBIDKESA-N 1 3 347.906 2.493 20 30 EEEDHO CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001087306403 761554944 /nfs/dbraw/zinc/55/49/44/761554944.db2.gz IMWLSVGQZWLPHR-YZGWKJHDSA-N 1 3 345.531 2.347 20 30 EEEDHO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820972 776964987 /nfs/dbraw/zinc/96/49/87/776964987.db2.gz PZJXTMKTJNOFRJ-AITUJVMLSA-N 1 3 331.504 2.216 20 30 EEEDHO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089820972 776964997 /nfs/dbraw/zinc/96/49/97/776964997.db2.gz PZJXTMKTJNOFRJ-AITUJVMLSA-N 1 3 331.504 2.216 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1 ZINC001211713465 779534639 /nfs/dbraw/zinc/53/46/39/779534639.db2.gz MQVVRLWFNNBJNZ-RBUKOAKNSA-N 1 3 329.488 2.489 20 30 EEEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCC[N@@H+]1C ZINC000817290089 784632356 /nfs/dbraw/zinc/63/23/56/784632356.db2.gz GXRCHGNHRVECMQ-UONOGXRCSA-N 1 3 342.468 2.499 20 30 EEEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCC[N@H+]1C ZINC000817290089 784632363 /nfs/dbraw/zinc/63/23/63/784632363.db2.gz GXRCHGNHRVECMQ-UONOGXRCSA-N 1 3 342.468 2.499 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001135975864 784924293 /nfs/dbraw/zinc/92/42/93/784924293.db2.gz DQQUNAQKWXTRHU-HUUCEWRRSA-N 1 3 348.466 2.412 20 30 EEEDHO C=CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC000996299805 786233686 /nfs/dbraw/zinc/23/36/86/786233686.db2.gz DOFVMHKSOGAJJZ-KBXCAEBGSA-N 1 3 325.472 2.212 20 30 EEEDHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998271688 792415282 /nfs/dbraw/zinc/41/52/82/792415282.db2.gz 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C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533313 806350520 /nfs/dbraw/zinc/35/05/20/806350520.db2.gz GAQABJVSTLVGHZ-VGWMRTNUSA-N 1 3 327.900 2.344 20 30 EEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666745 796073081 /nfs/dbraw/zinc/07/30/81/796073081.db2.gz SLHRGGWIEIYDIB-GPMSIDNRSA-N 1 3 339.499 2.459 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001095027211 797249896 /nfs/dbraw/zinc/24/98/96/797249896.db2.gz KQLMRGOJVSWHCU-BBWFWOEESA-N 1 3 339.911 2.440 20 30 EEEDHO CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262735 798060273 /nfs/dbraw/zinc/06/02/73/798060273.db2.gz LCTXVIFMIPSBNA-QFBILLFUSA-N 1 3 339.499 2.487 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)CC1 ZINC001176737976 798543017 /nfs/dbraw/zinc/54/30/17/798543017.db2.gz OJPOCSQEBHPVKP-DHINHOHASA-N 1 3 339.911 2.349 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]C[C@@H](F)CC)CC1 ZINC001180360896 800378287 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CCN1CCC[C@H]1CNC(=[NH2+])NCc1csc(-c2ccco2)n1 ZINC000123608071 463355048 /nfs/dbraw/zinc/35/50/48/463355048.db2.gz SDFTYWNMBLFSFA-ZDUSSCGKSA-N 1 3 333.461 2.292 20 30 EEEDHO CC(C)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000280151053 464191449 /nfs/dbraw/zinc/19/14/49/464191449.db2.gz WJZLUIXYELCBFG-SFHVURJKSA-N 1 3 338.455 2.479 20 30 EEEDHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000264071791 464279942 /nfs/dbraw/zinc/27/99/42/464279942.db2.gz DLCKQKKAAFWMLA-MRXNPFEDSA-N 1 3 345.535 2.422 20 30 EEEDHO CCCOc1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1OC ZINC000264133327 464286452 /nfs/dbraw/zinc/28/64/52/464286452.db2.gz YSKCMTUTRNNHIS-MRXNPFEDSA-N 1 3 348.491 2.373 20 30 EEEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000175742360 464614269 /nfs/dbraw/zinc/61/42/69/464614269.db2.gz FYIXSEFPSNNLBV-UHFFFAOYSA-N 1 3 334.508 2.343 20 30 EEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424147773 466990931 /nfs/dbraw/zinc/99/09/31/466990931.db2.gz 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EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001029002914 682648888 /nfs/dbraw/zinc/64/88/88/682648888.db2.gz DLPVSHAFIHAFPK-IBGZPJMESA-N 1 3 345.531 2.350 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]21 ZINC001026284067 684191514 /nfs/dbraw/zinc/19/15/14/684191514.db2.gz OQFATRHIOHEPPZ-SOUVJXGZSA-N 1 3 325.884 2.050 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]12 ZINC001026360557 684439260 /nfs/dbraw/zinc/43/92/60/684439260.db2.gz KZWBFTNRLJNORG-BZUAXINKSA-N 1 3 339.911 2.297 20 30 EEEDHO C=C(Br)CNC(=[NH+]C)N1CC[C@H](N2CCCCC2)C1 ZINC000262424058 685997336 /nfs/dbraw/zinc/99/73/36/685997336.db2.gz CDNAWPCPLBCSAZ-ZDUSSCGKSA-N 1 3 329.286 2.031 20 30 EEEDHO CCN(CCNC(=[NH2+])NC[C@H]1CCCN1CC)c1ccccc1C ZINC000303907472 686943753 /nfs/dbraw/zinc/94/37/53/686943753.db2.gz WVUYRGNQJZZDHE-QGZVFWFLSA-N 1 3 331.508 2.210 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001009630593 688071650 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EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088027 1193361388 /nfs/dbraw/zinc/36/13/88/1193361388.db2.gz ABCOSHMBAMUZDV-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105564077 1188180605 /nfs/dbraw/zinc/18/06/05/1188180605.db2.gz VWAVJLPPNBNDPW-RTBURBONSA-N 1 3 345.531 2.493 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C#N ZINC001134584232 1199673383 /nfs/dbraw/zinc/67/33/83/1199673383.db2.gz SBTRFGANHNITRT-CVEARBPZSA-N 1 3 342.487 2.415 20 30 EEEDHO C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1(N(C)C)CCC1 ZINC001133398091 1200837917 /nfs/dbraw/zinc/83/79/17/1200837917.db2.gz CNMWLCCHLBLNHK-UHFFFAOYSA-N 1 3 347.890 2.376 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001133396103 1200854881 /nfs/dbraw/zinc/85/48/81/1200854881.db2.gz RCVKJQOJDMIASK-CRAIPNDOSA-N 1 3 347.890 2.232 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001133396103 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OWHUPFMIXPVGJS-CEXWTWQISA-N 1 3 331.504 2.338 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001045646733 1233879837 /nfs/dbraw/zinc/87/98/37/1233879837.db2.gz MXQLGORJNZURNJ-QGZVFWFLSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCCC[C@]3(CC[N@@H+](CC=C)C3)C2)CC1 ZINC001045986352 1234281684 /nfs/dbraw/zinc/28/16/84/1234281684.db2.gz ODRMFUOUNJOMEQ-OAQYLSRUSA-N 1 3 343.515 2.222 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCCC[C@]3(CC[N@H+](CC=C)C3)C2)CC1 ZINC001045986352 1234281689 /nfs/dbraw/zinc/28/16/89/1234281689.db2.gz ODRMFUOUNJOMEQ-OAQYLSRUSA-N 1 3 343.515 2.222 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001046849221 1235246881 /nfs/dbraw/zinc/24/68/81/1235246881.db2.gz CPSLPQSUPQWHLF-HXUWFJFHSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001046849221 1235246886 /nfs/dbraw/zinc/24/68/86/1235246886.db2.gz CPSLPQSUPQWHLF-HXUWFJFHSA-N 1 3 333.520 2.348 20 30 EEEDHO 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CN(C)C1(C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)CCC1 ZINC001201037653 1287266660 /nfs/dbraw/zinc/26/66/60/1287266660.db2.gz NMCPNEWMEKALNF-UHFFFAOYSA-N 1 3 339.483 2.103 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001193600812 1282627066 /nfs/dbraw/zinc/62/70/66/1282627066.db2.gz MELVSTPMYXRYTH-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001193600812 1282627084 /nfs/dbraw/zinc/62/70/84/1282627084.db2.gz MELVSTPMYXRYTH-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO C=CCCCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198983991 1285460007 /nfs/dbraw/zinc/46/00/07/1285460007.db2.gz LLBNOFLRQJCLMX-AEFFLSMTSA-N 1 3 345.487 2.360 20 30 EEEDHO C=CCCCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198983991 1285460013 /nfs/dbraw/zinc/46/00/13/1285460013.db2.gz LLBNOFLRQJCLMX-AEFFLSMTSA-N 1 3 345.487 2.360 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001071086202 1286761597 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339.524 2.339 20 30 EEEDHO N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246080966 1310232524 /nfs/dbraw/zinc/23/25/24/1310232524.db2.gz HMOWNLFHRVCVQM-VLOYRQLPSA-N 1 3 349.425 2.182 20 30 EEEDHO C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001122243063 1310247468 /nfs/dbraw/zinc/24/74/68/1310247468.db2.gz ZBSJKXSNLCWPRF-QAELIBMJSA-N 1 3 349.519 2.080 20 30 EEEDHO C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001150022470 1316129559 /nfs/dbraw/zinc/12/95/59/1316129559.db2.gz NUFXLGBQFRIIQK-RBUKOAKNSA-N 1 3 349.519 2.034 20 30 EEEDHO C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001150022470 1316129565 /nfs/dbraw/zinc/12/95/65/1316129565.db2.gz NUFXLGBQFRIIQK-RBUKOAKNSA-N 1 3 349.519 2.034 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001152330006 1316657581 /nfs/dbraw/zinc/65/75/81/1316657581.db2.gz HITRDIAQANYRTQ-QZTJIDSGSA-N 1 3 333.520 2.254 20 30 EEEDHO C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153368494 1316818837 /nfs/dbraw/zinc/81/88/37/1316818837.db2.gz RGZSTIRRJQEEOZ-QGZVFWFLSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001153368494 1316818840 /nfs/dbraw/zinc/81/88/40/1316818840.db2.gz RGZSTIRRJQEEOZ-QGZVFWFLSA-N 1 3 339.524 2.280 20 30 EEEDHO CN(CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CCC1 ZINC001159997660 1320045571 /nfs/dbraw/zinc/04/55/71/1320045571.db2.gz XCEAMTVELIJYJK-UHFFFAOYSA-N 1 3 347.890 2.272 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160474016 1320172290 /nfs/dbraw/zinc/17/22/90/1320172290.db2.gz WPEWJITXDLDMER-RTBURBONSA-N 1 3 329.488 2.165 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160474016 1320172293 /nfs/dbraw/zinc/17/22/93/1320172293.db2.gz WPEWJITXDLDMER-RTBURBONSA-N 1 3 329.488 2.165 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001166380716 1321709141 /nfs/dbraw/zinc/70/91/41/1321709141.db2.gz HMQSKRSGEWQAOP-INIZCTEOSA-N 1 3 339.911 2.489 20 30 EEEDHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001166677599 1321762607 /nfs/dbraw/zinc/76/26/07/1321762607.db2.gz KQLFQXSTQIKSLB-INIZCTEOSA-N 1 3 347.890 2.129 20 30 EEEDHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)CCCO1 ZINC001200478390 1338356351 /nfs/dbraw/zinc/35/63/51/1338356351.db2.gz ISOCUHFLPGUIAS-QZTJIDSGSA-N 1 3 337.508 2.033 20 30 EEEDHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001100651661 1338599478 /nfs/dbraw/zinc/59/94/78/1338599478.db2.gz CBAQGSKNESBTSW-MQBCKMQZSA-N 1 3 348.516 2.190 20 30 EEEDHO CN(CC(=O)NCC1CC([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001100410637 1373037889 /nfs/dbraw/zinc/03/78/89/1373037889.db2.gz GKCBUKDVALCBCH-UHFFFAOYSA-N 1 3 339.483 2.007 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001365838466 1373767305 /nfs/dbraw/zinc/76/73/05/1373767305.db2.gz CBAQGSKNESBTSW-ZQIUZPCESA-N 1 3 348.516 2.190 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC1(NCc2ccc(F)c(C#N)c2)CC1)[NH+](C)C ZINC001368036510 1374324522 /nfs/dbraw/zinc/32/45/22/1374324522.db2.gz MKIOGMPCLLUCEA-KRWDZBQOSA-N 1 3 346.450 2.022 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC001370172955 1374836642 /nfs/dbraw/zinc/83/66/42/1374836642.db2.gz XDNOUNHLYMZHNK-OALUTQOASA-N 1 3 342.487 2.129 20 30 EEEDHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001393827573 1390554415 /nfs/dbraw/zinc/55/44/15/1390554415.db2.gz KPMVIXYDWYKCGT-XJKSGUPXSA-N 1 3 336.505 2.190 20 30 EEEDHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001755072338 1407081420 /nfs/dbraw/zinc/08/14/20/1407081420.db2.gz GUCWVFOFFPVFJZ-IBGZPJMESA-N 1 3 337.483 2.193 20 30 EEEDHO C#CC[NH2+]C1(CC)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001755072339 1407081632 /nfs/dbraw/zinc/08/16/32/1407081632.db2.gz GUCWVFOFFPVFJZ-LJQANCHMSA-N 1 3 337.483 2.193 20 30 EEEDHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001755186489 1407192091 /nfs/dbraw/zinc/19/20/91/1407192091.db2.gz VLVHERGDCMKNPG-QZTJIDSGSA-N 1 3 327.472 2.419 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449443 760424993 /nfs/dbraw/zinc/42/49/93/760424993.db2.gz JDXUUYGPSHRAIF-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075449443 760424996 /nfs/dbraw/zinc/42/49/96/760424996.db2.gz JDXUUYGPSHRAIF-IEBWSBKVSA-N 1 3 331.504 2.055 20 30 EEEDHO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190537846 769329511 /nfs/dbraw/zinc/32/95/11/769329511.db2.gz RTOBWJWXLNUXOU-PKOBYXMFSA-N 1 3 344.503 2.324 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H](C)C1 ZINC001044797135 783435293 /nfs/dbraw/zinc/43/52/93/783435293.db2.gz PADHULIMQIXRLK-JKSUJKDBSA-N 1 3 327.900 2.440 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001035039247 783595870 /nfs/dbraw/zinc/59/58/70/783595870.db2.gz ZRRMKJQECAVDTK-RTBURBONSA-N 1 3 342.487 2.225 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902104 789569665 /nfs/dbraw/zinc/56/96/65/789569665.db2.gz JWRKFJQGKSONNN-CEXWTWQISA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946902104 789569673 /nfs/dbraw/zinc/56/96/73/789569673.db2.gz JWRKFJQGKSONNN-CEXWTWQISA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1C(F)(F)F ZINC000998304195 792513412 /nfs/dbraw/zinc/51/34/12/792513412.db2.gz MSKNFCPKCSJPDK-CABCVRRESA-N 1 3 347.425 2.273 20 30 EEEDHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC000999366651 794369962 /nfs/dbraw/zinc/36/99/62/794369962.db2.gz YVTBURDJOTWDFF-AWEZNQCLSA-N 1 3 346.500 2.185 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999406110 794420995 /nfs/dbraw/zinc/42/09/95/794420995.db2.gz KGIQPQUUSRBKTB-VNCLNFNDSA-N 1 3 340.471 2.122 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CC1 ZINC000992509230 794451771 /nfs/dbraw/zinc/45/17/71/794451771.db2.gz MYAKMUREFZVPQY-TZIWHRDSSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC2CC2)CC3)CC1 ZINC000992509230 794451773 /nfs/dbraw/zinc/45/17/73/794451773.db2.gz MYAKMUREFZVPQY-TZIWHRDSSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049739 798638303 /nfs/dbraw/zinc/63/83/03/798638303.db2.gz VRHHRPMJDJAJGM-QRVBRYPASA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049739 798638305 /nfs/dbraw/zinc/63/83/05/798638305.db2.gz VRHHRPMJDJAJGM-QRVBRYPASA-N 1 3 331.504 2.195 20 30 EEEDHO C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001179071192 799768836 /nfs/dbraw/zinc/76/88/36/799768836.db2.gz BSZKTIVNZMIIJS-QPIRBTGLSA-N 1 3 349.519 2.082 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001183772806 801729150 /nfs/dbraw/zinc/72/91/50/801729150.db2.gz LLYSVLUGZUUPHK-GOSISDBHSA-N 1 3 345.462 2.098 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001183772806 801729154 /nfs/dbraw/zinc/72/91/54/801729154.db2.gz LLYSVLUGZUUPHK-GOSISDBHSA-N 1 3 345.462 2.098 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085484 802106836 /nfs/dbraw/zinc/10/68/36/802106836.db2.gz HNACMYFOXFNTIT-CAOSSQGBSA-N 1 3 325.884 2.098 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085484 802106840 /nfs/dbraw/zinc/10/68/40/802106840.db2.gz HNACMYFOXFNTIT-CAOSSQGBSA-N 1 3 325.884 2.098 20 30 EEEDHO C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1CNCc1ccccc1C#N ZINC001185072934 802336647 /nfs/dbraw/zinc/33/66/47/802336647.db2.gz LBTGWRHWOZAHEK-AEFFLSMTSA-N 1 3 342.487 2.084 20 30 EEEDHO C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108354987 803358849 /nfs/dbraw/zinc/35/88/49/803358849.db2.gz SNZMIGWHOIZGHK-MJGOQNOKSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108354987 803358857 /nfs/dbraw/zinc/35/88/57/803358857.db2.gz SNZMIGWHOIZGHK-MJGOQNOKSA-N 1 3 339.524 2.280 20 30 EEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109469969 805520788 /nfs/dbraw/zinc/52/07/88/805520788.db2.gz PDFZOVAUBLPGQN-SQNIBIBYSA-N 1 3 328.460 2.206 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001129410627 810828170 /nfs/dbraw/zinc/82/81/70/810828170.db2.gz OYWOKVURFAEDKS-KRWDZBQOSA-N 1 3 346.450 2.166 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001129410627 810828180 /nfs/dbraw/zinc/82/81/80/810828180.db2.gz OYWOKVURFAEDKS-KRWDZBQOSA-N 1 3 346.450 2.166 20 30 EEEDHO C=CCCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001130398928 811610819 /nfs/dbraw/zinc/61/08/19/811610819.db2.gz IFINQDXOCPUVKX-DOTOQJQBSA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001130398928 811610823 /nfs/dbraw/zinc/61/08/23/811610823.db2.gz IFINQDXOCPUVKX-DOTOQJQBSA-N 1 3 347.507 2.122 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001438707695 1091220399 /nfs/dbraw/zinc/22/03/99/1091220399.db2.gz WUZDBCPUWXWFRF-KSSFIOAISA-N 1 3 348.466 2.220 20 30 EEEDHO N#CCCC[C@@H](N)C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000424151831 303151406 /nfs/dbraw/zinc/15/14/06/303151406.db2.gz GGGAKXONHBBWTQ-HZPDHXFCSA-N 1 3 346.500 2.240 20 30 EEEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109515 319245985 /nfs/dbraw/zinc/24/59/85/319245985.db2.gz RZYAZINKIPXTBL-ZWKOTPCHSA-N 1 3 331.460 2.008 20 30 EEEDHO CC(C#N)C(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000342369266 465314754 /nfs/dbraw/zinc/31/47/54/465314754.db2.gz GPJALNOQWUKYPW-IKGGRYGDSA-N 1 3 343.471 2.472 20 30 EEEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N[C@H](C)c1ccc(C)o1 ZINC000086335439 462569745 /nfs/dbraw/zinc/56/97/45/462569745.db2.gz YYHBKTLNMTVBBT-MRXNPFEDSA-N 1 3 348.491 2.459 20 30 EEEDHO CCNC(NCCCCN1CCN(c2ccccc2)CC1)=[NH+]CC ZINC000066244942 462865989 /nfs/dbraw/zinc/86/59/89/462865989.db2.gz KPFYUPYGZAOEQU-UHFFFAOYSA-N 1 3 331.508 2.164 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000068085232 463090841 /nfs/dbraw/zinc/09/08/41/463090841.db2.gz IKTVZSYIXVXXAS-HDICACEKSA-N 1 3 333.520 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000068085232 463090847 /nfs/dbraw/zinc/09/08/47/463090847.db2.gz IKTVZSYIXVXXAS-HDICACEKSA-N 1 3 333.520 2.206 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171712528 463910722 /nfs/dbraw/zinc/91/07/22/463910722.db2.gz FORXLLISDDVZBQ-QGZVFWFLSA-N 1 3 336.524 2.448 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171712528 463910727 /nfs/dbraw/zinc/91/07/27/463910727.db2.gz FORXLLISDDVZBQ-QGZVFWFLSA-N 1 3 336.524 2.448 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccccc12 ZINC000267477534 464934294 /nfs/dbraw/zinc/93/42/94/464934294.db2.gz ZQFPREMQGQPORI-INIZCTEOSA-N 1 3 327.476 2.489 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000366824747 465956808 /nfs/dbraw/zinc/95/68/08/465956808.db2.gz GLPYFZAOHSNYTH-KRWDZBQOSA-N 1 3 334.508 2.010 20 30 EEEDHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380223 466733301 /nfs/dbraw/zinc/73/33/01/466733301.db2.gz HCGGSUZKQXLOAZ-WFASDCNBSA-N 1 3 326.366 2.045 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108676 468800747 /nfs/dbraw/zinc/80/07/47/468800747.db2.gz NUHRSHAGRRJDFX-BPQIPLTHSA-N 1 3 348.487 2.236 20 30 EEEDHO C=CCc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000584108676 468800752 /nfs/dbraw/zinc/80/07/52/468800752.db2.gz NUHRSHAGRRJDFX-BPQIPLTHSA-N 1 3 348.487 2.236 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000669464962 471507420 /nfs/dbraw/zinc/50/74/20/471507420.db2.gz RFBSUCQGVROLJZ-ZWKOTPCHSA-N 1 3 348.535 2.448 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659450373 471634521 /nfs/dbraw/zinc/63/45/21/471634521.db2.gz NJTSEDFOEAQKBG-QGZVFWFLSA-N 1 3 334.508 2.058 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000106339324 526590292 /nfs/dbraw/zinc/59/02/92/526590292.db2.gz XEMJVIFKQCPJLX-GOSISDBHSA-N 1 3 336.524 2.447 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001020904588 675574921 /nfs/dbraw/zinc/57/49/21/675574921.db2.gz DNCMESUMOYDWMG-WKILWMFISA-N 1 3 325.884 2.098 20 30 EEEDHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1)N(C)C ZINC000985652493 687396285 /nfs/dbraw/zinc/39/62/85/687396285.db2.gz HQYBFBGKUNWQJN-IBGZPJMESA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1)N(C)C ZINC000985652493 687396291 /nfs/dbraw/zinc/39/62/91/687396291.db2.gz HQYBFBGKUNWQJN-IBGZPJMESA-N 1 3 342.487 2.321 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001027333634 687520591 /nfs/dbraw/zinc/52/05/91/687520591.db2.gz ZDPOYDPTMOSRAP-OALUTQOASA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001027333634 687520594 /nfs/dbraw/zinc/52/05/94/687520594.db2.gz ZDPOYDPTMOSRAP-OALUTQOASA-N 1 3 340.471 2.075 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387145 694333227 /nfs/dbraw/zinc/33/32/27/694333227.db2.gz AKLOVLNHMJPDCV-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040387145 694333229 /nfs/dbraw/zinc/33/32/29/694333229.db2.gz AKLOVLNHMJPDCV-HXUWFJFHSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244322 692475278 /nfs/dbraw/zinc/47/52/78/692475278.db2.gz ITVCCYRGXNHGSG-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040244322 692475280 /nfs/dbraw/zinc/47/52/80/692475280.db2.gz ITVCCYRGXNHGSG-QUCCMNQESA-N 1 3 331.504 2.199 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(F)ccc12 ZINC000184653309 1192060938 /nfs/dbraw/zinc/06/09/38/1192060938.db2.gz CVQWSHDDKSHWRB-MRXNPFEDSA-N 1 3 345.466 2.249 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107036489 1192959140 /nfs/dbraw/zinc/95/91/40/1192959140.db2.gz MGKVKEVUTPYHHU-BMFZPTHFSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC000945181453 1193416291 /nfs/dbraw/zinc/41/62/91/1193416291.db2.gz NFXRLEOGSLTMIM-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC000945181453 1193416294 /nfs/dbraw/zinc/41/62/94/1193416294.db2.gz NFXRLEOGSLTMIM-MJGOQNOKSA-N 1 3 331.504 2.124 20 30 EEEDHO CN(c1ccccc1C=NN1CCC[C@H]1CO)C1CC[NH+](C)CC1 ZINC000841661516 1187370193 /nfs/dbraw/zinc/37/01/93/1187370193.db2.gz IMCDCFLFHJRXTD-SFHVURJKSA-N 1 3 330.476 2.008 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001755851326 1187670277 /nfs/dbraw/zinc/67/02/77/1187670277.db2.gz HTFCXYQFDWMJHN-UONOGXRCSA-N 1 3 335.414 2.273 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)CCO2 ZINC001105473431 1188023751 /nfs/dbraw/zinc/02/37/51/1188023751.db2.gz WPDQVUUQFADOHX-UHFFFAOYSA-N 1 3 349.519 2.177 20 30 EEEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)CCC1 ZINC001105563658 1188179622 /nfs/dbraw/zinc/17/96/22/1188179622.db2.gz QPTVWRRESQINPX-GOSISDBHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)CCC1 ZINC001105563660 1188179753 /nfs/dbraw/zinc/17/97/53/1188179753.db2.gz QPTVWRRESQINPX-SFHVURJKSA-N 1 3 345.531 2.493 20 30 EEEDHO CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105565953 1188185871 /nfs/dbraw/zinc/18/58/71/1188185871.db2.gz CIALYURWVZOKKQ-QGZVFWFLSA-N 1 3 328.460 2.117 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)CC1 ZINC001168307391 1188278438 /nfs/dbraw/zinc/27/84/38/1188278438.db2.gz GEHAVDSOTYXMKT-UHFFFAOYSA-N 1 3 331.504 2.008 20 30 EEEDHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001034957897 1196918709 /nfs/dbraw/zinc/91/87/09/1196918709.db2.gz OKHHZBDXJBGJNI-LJQANCHMSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001134585045 1199674182 /nfs/dbraw/zinc/67/41/82/1199674182.db2.gz YPXPOFNMNALDOI-HOTGVXAUSA-N 1 3 342.487 2.415 20 30 EEEDHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)CN(C)C1CCC1 ZINC001134608110 1199700523 /nfs/dbraw/zinc/70/05/23/1199700523.db2.gz QVQZNPSXOGRNNG-JKSUJKDBSA-N 1 3 342.487 2.415 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518790 1199802431 /nfs/dbraw/zinc/80/24/31/1199802431.db2.gz OGHBCMAJIMBMSC-MJGOQNOKSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518790 1199802435 /nfs/dbraw/zinc/80/24/35/1199802435.db2.gz OGHBCMAJIMBMSC-MJGOQNOKSA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCN1CC[C@@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000886646198 1202539855 /nfs/dbraw/zinc/53/98/55/1202539855.db2.gz BXARFBQXSRGOLQ-XUVXKRRUSA-N 1 3 339.483 2.227 20 30 EEEDHO C=CCN1CC[C@@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000886646198 1202539857 /nfs/dbraw/zinc/53/98/57/1202539857.db2.gz BXARFBQXSRGOLQ-XUVXKRRUSA-N 1 3 339.483 2.227 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001095416983 1205718046 /nfs/dbraw/zinc/71/80/46/1205718046.db2.gz BYVYWKKBQFKTMK-LMCOJAPRSA-N 1 3 343.515 2.386 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001095416983 1205718048 /nfs/dbraw/zinc/71/80/48/1205718048.db2.gz BYVYWKKBQFKTMK-LMCOJAPRSA-N 1 3 343.515 2.386 20 30 EEEDHO C=CCCN1CCOC2(CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000949529369 1209729479 /nfs/dbraw/zinc/72/94/79/1209729479.db2.gz QNBBBEZVXKDCMJ-ROUUACIJSA-N 1 3 349.519 2.129 20 30 EEEDHO CN1CCN(CCCNC(=[NH2+])NCC2CCC2)[C@H](c2ccccc2)C1 ZINC000303908970 1213923383 /nfs/dbraw/zinc/92/33/83/1213923383.db2.gz XZOPHDQPPZDCDL-IBGZPJMESA-N 1 3 343.519 2.070 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1Cl ZINC000304814389 1216106745 /nfs/dbraw/zinc/10/67/45/1216106745.db2.gz ZPJOFWVJJOYXDD-KGLIPLIRSA-N 1 3 338.883 2.496 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961376948 1217164995 /nfs/dbraw/zinc/16/49/95/1217164995.db2.gz UKQNRQPKBAWRTD-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961376948 1217164997 /nfs/dbraw/zinc/16/49/97/1217164997.db2.gz UKQNRQPKBAWRTD-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)CC1 ZINC001009625973 1223308097 /nfs/dbraw/zinc/30/80/97/1223308097.db2.gz GQIZLKZDFVOMKB-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001009625973 1223308101 /nfs/dbraw/zinc/30/81/01/1223308101.db2.gz GQIZLKZDFVOMKB-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016620951 1226694444 /nfs/dbraw/zinc/69/44/44/1226694444.db2.gz NNTQUGXMHRRGIX-QGZVFWFLSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001016788589 1226878427 /nfs/dbraw/zinc/87/84/27/1226878427.db2.gz BRNFXNIOZXBPQF-MSOLQXFVSA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016788589 1226878431 /nfs/dbraw/zinc/87/84/31/1226878431.db2.gz BRNFXNIOZXBPQF-MSOLQXFVSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCC(C)CC2)CC1 ZINC001039042774 1230259087 /nfs/dbraw/zinc/25/90/87/1230259087.db2.gz WMWDRSOEAQPARD-AFMYVXGZSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CCC(C)CC2)CC1 ZINC001039042774 1230259090 /nfs/dbraw/zinc/25/90/90/1230259090.db2.gz WMWDRSOEAQPARD-AFMYVXGZSA-N 1 3 345.531 2.348 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165653 1230387431 /nfs/dbraw/zinc/38/74/31/1230387431.db2.gz QZAQDGLNEAVYRA-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165653 1230387436 /nfs/dbraw/zinc/38/74/36/1230387436.db2.gz QZAQDGLNEAVYRA-PKOBYXMFSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001039250434 1230486215 /nfs/dbraw/zinc/48/62/15/1230486215.db2.gz KKXCJLQDQGFYCF-VQTJNVASSA-N 1 3 343.515 2.221 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001039250434 1230486217 /nfs/dbraw/zinc/48/62/17/1230486217.db2.gz KKXCJLQDQGFYCF-VQTJNVASSA-N 1 3 343.515 2.221 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329218 1231172934 /nfs/dbraw/zinc/17/29/34/1231172934.db2.gz SJNUFNFWCRUNLC-FQEVSTJZSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001040953179 1231409073 /nfs/dbraw/zinc/40/90/73/1231409073.db2.gz KHUYWANGOQZLBS-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3sccc3CN(C)C)C[C@H]21 ZINC001042081927 1231874862 /nfs/dbraw/zinc/87/48/62/1231874862.db2.gz BRODCYKXMKLRRS-DOTOQJQBSA-N 1 3 345.512 2.369 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3sccc3CN(C)C)C[C@H]21 ZINC001042081927 1231874864 /nfs/dbraw/zinc/87/48/64/1231874864.db2.gz BRODCYKXMKLRRS-DOTOQJQBSA-N 1 3 345.512 2.369 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001046849193 1235246310 /nfs/dbraw/zinc/24/63/10/1235246310.db2.gz CFGFRVOWORVDBX-HXUWFJFHSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(CC)CC)C2)CC1 ZINC001046849193 1235246317 /nfs/dbraw/zinc/24/63/17/1235246317.db2.gz CFGFRVOWORVDBX-HXUWFJFHSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001052709912 1244803686 /nfs/dbraw/zinc/80/36/86/1244803686.db2.gz SENWKPZGDFRFTL-IBGZPJMESA-N 1 3 327.472 2.008 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001053101388 1245909796 /nfs/dbraw/zinc/90/97/96/1245909796.db2.gz NJZSZJHKDDQQNZ-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001053101388 1245909807 /nfs/dbraw/zinc/90/98/07/1245909807.db2.gz NJZSZJHKDDQQNZ-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129270 1247472065 /nfs/dbraw/zinc/47/20/65/1247472065.db2.gz NWBRKAQTJOUZCS-QUCCMNQESA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129270 1247472073 /nfs/dbraw/zinc/47/20/73/1247472073.db2.gz NWBRKAQTJOUZCS-QUCCMNQESA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101440 1257966418 /nfs/dbraw/zinc/96/64/18/1257966418.db2.gz ZJGUIAFPFOBUMW-ICSRJNTNSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCC(=C)C)C3)CC1 ZINC001099174657 1257994298 /nfs/dbraw/zinc/99/42/98/1257994298.db2.gz YUBBIDISQMHTPU-FPOVZHCZSA-N 1 3 343.515 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC(=C)C)C3)CC1 ZINC001099174657 1257994302 /nfs/dbraw/zinc/99/43/02/1257994302.db2.gz YUBBIDISQMHTPU-FPOVZHCZSA-N 1 3 343.515 2.269 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCCCCC ZINC001099536238 1258194498 /nfs/dbraw/zinc/19/44/98/1258194498.db2.gz KHGZNZVPABBIQN-HAGHYFMRSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)CCCCCC ZINC001099536238 1258194502 /nfs/dbraw/zinc/19/45/02/1258194502.db2.gz KHGZNZVPABBIQN-HAGHYFMRSA-N 1 3 345.531 2.301 20 30 EEEDHO C=CCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099583410 1258227641 /nfs/dbraw/zinc/22/76/41/1258227641.db2.gz QVPRUURFGIXETN-ZWKOTPCHSA-N 1 3 349.519 2.034 20 30 EEEDHO C=CCN1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099583410 1258227646 /nfs/dbraw/zinc/22/76/46/1258227646.db2.gz QVPRUURFGIXETN-ZWKOTPCHSA-N 1 3 349.519 2.034 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001101037399 1259597958 /nfs/dbraw/zinc/59/79/58/1259597958.db2.gz LGKUWMUYRKWMMP-UYSNPLJNSA-N 1 3 327.900 2.344 20 30 EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCCO1 ZINC001201558268 1289664715 /nfs/dbraw/zinc/66/47/15/1289664715.db2.gz NGOQLIMJVWXWLS-ROUUACIJSA-N 1 3 337.508 2.033 20 30 EEEDHO N#Cc1ccc([C@H](N)CC(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)cc1 ZINC001219537921 1298051534 /nfs/dbraw/zinc/05/15/34/1298051534.db2.gz RNKOAFLVXLPZBW-RKVPGOIHSA-N 1 3 348.406 2.035 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](F)CC)CC1 ZINC001230252074 1303128528 /nfs/dbraw/zinc/12/85/28/1303128528.db2.gz ZBUCCTABDDDNIV-KZNAEPCWSA-N 1 3 337.483 2.097 20 30 EEEDHO CCN1CCN(c2ccc(O[C@H](CC#N)C[N+](C)(C)C)cc2)CC1 ZINC001234658240 1305002842 /nfs/dbraw/zinc/00/28/42/1305002842.db2.gz YHRLVXOUOYPEIQ-LJQANCHMSA-N 1 3 331.484 2.196 20 30 EEEDHO CCCCCCCCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243910 1306305986 /nfs/dbraw/zinc/30/59/86/1306305986.db2.gz WNFDSOXFXLDAOC-MRXNPFEDSA-N 1 3 345.553 2.141 20 30 EEEDHO CCCCCCCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243910 1306305999 /nfs/dbraw/zinc/30/59/99/1306305999.db2.gz WNFDSOXFXLDAOC-MRXNPFEDSA-N 1 3 345.553 2.141 20 30 EEEDHO C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120422846 1309524979 /nfs/dbraw/zinc/52/49/79/1309524979.db2.gz PEPCGLLMRBCWGH-HZPDHXFCSA-N 1 3 327.900 2.394 20 30 EEEDHO C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)N(C)CC)C1 ZINC001149937465 1316096930 /nfs/dbraw/zinc/09/69/30/1316096930.db2.gz SJBRZZOMGOXTQU-IAGOWNOFSA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)N(C)CC)C1 ZINC001149937465 1316096935 /nfs/dbraw/zinc/09/69/35/1316096935.db2.gz SJBRZZOMGOXTQU-IAGOWNOFSA-N 1 3 339.524 2.279 20 30 EEEDHO CC(C)[C@H](C(=O)NCCNCc1ccc(C#N)s1)[NH+]1CCCCC1 ZINC001152479573 1316677765 /nfs/dbraw/zinc/67/77/65/1316677765.db2.gz HVKMAADCLPVHQQ-QGZVFWFLSA-N 1 3 348.516 2.336 20 30 EEEDHO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226116 1317509087 /nfs/dbraw/zinc/50/90/87/1317509087.db2.gz HMUSMYRDPGHYCV-DLBZAZTESA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001155226116 1317509091 /nfs/dbraw/zinc/50/90/91/1317509091.db2.gz HMUSMYRDPGHYCV-DLBZAZTESA-N 1 3 342.487 2.369 20 30 EEEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001158097767 1319009981 /nfs/dbraw/zinc/00/99/81/1319009981.db2.gz DWDREJKLOVTBCB-HNNXBMFYSA-N 1 3 327.900 2.489 20 30 EEEDHO C=C(Cl)CNCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097767 1319009994 /nfs/dbraw/zinc/00/99/94/1319009994.db2.gz DWDREJKLOVTBCB-HNNXBMFYSA-N 1 3 327.900 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771405 1321957911 /nfs/dbraw/zinc/95/79/11/1321957911.db2.gz NKZXTEQIOOHFGJ-OALUTQOASA-N 1 3 343.515 2.315 20 30 EEEDHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001491675033 1330222038 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20 30 EEEDHO CC[NH+](CC)CCN1CCN(CCCc2ccc(C#N)cc2)CC1 ZINC001208860272 757216245 /nfs/dbraw/zinc/21/62/45/757216245.db2.gz IZHHZTWSDGEVQJ-UHFFFAOYSA-N 1 3 328.504 2.450 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317079 761613453 /nfs/dbraw/zinc/61/34/53/761613453.db2.gz CFLQZJZWHDWJHZ-OTWHNJEPSA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@@H]3CCC[N@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317079 761613455 /nfs/dbraw/zinc/61/34/55/761613455.db2.gz CFLQZJZWHDWJHZ-OTWHNJEPSA-N 1 3 345.531 2.347 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211690574 770345706 /nfs/dbraw/zinc/34/57/06/770345706.db2.gz FIDGMKXODHWYSU-RBUKOAKNSA-N 1 3 329.488 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070902 773472777 /nfs/dbraw/zinc/47/27/77/773472777.db2.gz SZWCLPDMZJDFMU-PXNSSMCTSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070902 773472781 /nfs/dbraw/zinc/47/27/81/773472781.db2.gz SZWCLPDMZJDFMU-PXNSSMCTSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC000982332778 779751358 /nfs/dbraw/zinc/75/13/58/779751358.db2.gz NMVWMNYNJSISML-SESVDKBCSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@]2(C)C1 ZINC000982332778 779751362 /nfs/dbraw/zinc/75/13/62/779751362.db2.gz NMVWMNYNJSISML-SESVDKBCSA-N 1 3 345.531 2.301 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088318131 783490957 /nfs/dbraw/zinc/49/09/57/783490957.db2.gz YEYQVGKLQWTBJS-BZUAXINKSA-N 1 3 327.900 2.440 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001088318131 783490955 /nfs/dbraw/zinc/49/09/55/783490955.db2.gz YEYQVGKLQWTBJS-BZUAXINKSA-N 1 3 327.900 2.440 20 30 EEEDHO C[C@H](C[C@@H](C)NC(=O)CCC[NH+](C)C)NCc1cc(F)ccc1C#N ZINC001135317301 783600753 /nfs/dbraw/zinc/60/07/53/783600753.db2.gz 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C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC000997334930 789610304 /nfs/dbraw/zinc/61/03/04/789610304.db2.gz ZSBSZCCYOZXHHT-IEBWSBKVSA-N 1 3 333.520 2.489 20 30 EEEDHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001147826439 791984394 /nfs/dbraw/zinc/98/43/94/791984394.db2.gz VQUNVPTYGSGKRD-WBVHZDCISA-N 1 3 346.450 2.024 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506653 794446723 /nfs/dbraw/zinc/44/67/23/794446723.db2.gz JSQFJMQIJKEWPA-AZUAARDMSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506653 794446731 /nfs/dbraw/zinc/44/67/31/794446731.db2.gz JSQFJMQIJKEWPA-AZUAARDMSA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001093224141 794879512 /nfs/dbraw/zinc/87/95/12/794879512.db2.gz LUAGLXLNSOFRCC-YLJYHZDGSA-N 1 3 345.531 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C)CC1 ZINC001093224141 794879515 /nfs/dbraw/zinc/87/95/15/794879515.db2.gz LUAGLXLNSOFRCC-YLJYHZDGSA-N 1 3 345.531 2.206 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001093374062 795107933 /nfs/dbraw/zinc/10/79/33/795107933.db2.gz YJWQGYXSVVJYQD-MOPGFXCFSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC001093374062 795107936 /nfs/dbraw/zinc/10/79/36/795107936.db2.gz YJWQGYXSVVJYQD-MOPGFXCFSA-N 1 3 343.515 2.197 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1c1ccccc1 ZINC001081203609 796685412 /nfs/dbraw/zinc/68/54/12/796685412.db2.gz UDTJHAZHXFAFBJ-VQTJNVASSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094935988 797067666 /nfs/dbraw/zinc/06/76/66/797067666.db2.gz SDVMUEYCRARGOP-ZNMIVQPWSA-N 1 3 325.884 2.192 20 30 EEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262283 798059445 /nfs/dbraw/zinc/05/94/45/798059445.db2.gz FGRLTOLFAAQOEP-YJBOKZPZSA-N 1 3 325.472 2.097 20 30 EEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177340069 798873819 /nfs/dbraw/zinc/87/38/19/798873819.db2.gz ZFPVRUNZRJKQDU-LJQANCHMSA-N 1 3 333.520 2.348 20 30 EEEDHO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539387 799982622 /nfs/dbraw/zinc/98/26/22/799982622.db2.gz WPCLYHRNDZUBOU-RLFYNMQTSA-N 1 3 325.472 2.354 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)CC1 ZINC001086278307 802659889 /nfs/dbraw/zinc/65/98/89/802659889.db2.gz QORGFFYDRHOYNL-PUZFROQSSA-N 1 3 339.483 2.016 20 30 EEEDHO C=CCOC(=O)N1CCC2(C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C2)CC1 ZINC001169125604 803623295 /nfs/dbraw/zinc/62/32/95/803623295.db2.gz JRHVXQABCCCOQL-FVQHAEBGSA-N 1 3 333.476 2.332 20 30 EEEDHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001438407104 1090894271 /nfs/dbraw/zinc/89/42/71/1090894271.db2.gz RPZQAPUVLJLVCQ-UHFFFAOYSA-N 1 3 342.487 2.419 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001440114828 1093176763 /nfs/dbraw/zinc/17/67/63/1093176763.db2.gz FMUZOXHSQBLVKK-VQIMIIECSA-N 1 3 342.487 2.227 20 30 EEEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001444305704 1098862609 /nfs/dbraw/zinc/86/26/09/1098862609.db2.gz GDRYKBJPLMAXDE-QFBILLFUSA-N 1 3 342.487 2.273 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNCc1ccccc1C#N ZINC001444305704 1098862622 /nfs/dbraw/zinc/86/26/22/1098862622.db2.gz GDRYKBJPLMAXDE-QFBILLFUSA-N 1 3 342.487 2.273 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480173290 1099752333 /nfs/dbraw/zinc/75/23/33/1099752333.db2.gz DKPHNBBLKZRPBY-BZUAXINKSA-N 1 3 327.900 2.486 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C#N)s2)C1 ZINC001446953648 1101651202 /nfs/dbraw/zinc/65/12/02/1101651202.db2.gz SVODNXMEYHETEP-HUUCEWRRSA-N 1 3 348.516 2.288 20 30 EEEDHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528399314 267017343 /nfs/dbraw/zinc/01/73/43/267017343.db2.gz VOGQMFWBJHXWTG-GOSISDBHSA-N 1 3 331.460 2.104 20 30 EEEDHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528399314 267017346 /nfs/dbraw/zinc/01/73/46/267017346.db2.gz VOGQMFWBJHXWTG-GOSISDBHSA-N 1 3 331.460 2.104 20 30 EEEDHO N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000530233249 268303884 /nfs/dbraw/zinc/30/38/84/268303884.db2.gz VXFAONQHXVKKTN-LJQANCHMSA-N 1 3 343.471 2.295 20 30 EEEDHO Cc1noc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000328599341 465065115 /nfs/dbraw/zinc/06/51/15/465065115.db2.gz BYTKKHDHOOKWIG-UHFFFAOYSA-N 1 3 335.452 2.176 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491298101 468344530 /nfs/dbraw/zinc/34/45/30/468344530.db2.gz TZNCALHAKIKJLC-LJQANCHMSA-N 1 3 348.535 2.239 20 30 EEEDHO CN(CCNC(=O)C1CC[NH+](CCCC#N)CC1)Cc1ccccc1 ZINC000081156125 463399771 /nfs/dbraw/zinc/39/97/71/463399771.db2.gz IKBBORPTDWCOHD-UHFFFAOYSA-N 1 3 342.487 2.250 20 30 EEEDHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000073895227 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20 30 EEEDHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528369620 467681503 /nfs/dbraw/zinc/68/15/03/467681503.db2.gz WDJCSSMNNZWYMZ-GOSISDBHSA-N 1 3 331.460 2.103 20 30 EEEDHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528369620 467681509 /nfs/dbraw/zinc/68/15/09/467681509.db2.gz WDJCSSMNNZWYMZ-GOSISDBHSA-N 1 3 331.460 2.103 20 30 EEEDHO C[C@@H]1CN(CCc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000595409069 468841371 /nfs/dbraw/zinc/84/13/71/468841371.db2.gz KCEGSDHEPBFABZ-YLJYHZDGSA-N 1 3 326.488 2.059 20 30 EEEDHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315544 468936869 /nfs/dbraw/zinc/93/68/69/468936869.db2.gz LEVNTQUOGCCKQO-SCTDSRPQSA-N 1 3 329.444 2.285 20 30 EEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(N)Cc2ccccc2C1)C(C)C ZINC000649297182 470534842 /nfs/dbraw/zinc/53/48/42/470534842.db2.gz RBYSICFVRJFGRA-LJQANCHMSA-N 1 3 341.499 2.298 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000105139744 527648384 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CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)N(C)C ZINC001227056273 1301666974 /nfs/dbraw/zinc/66/69/74/1301666974.db2.gz DRZIEJAJPWEXKE-VAMGGRTRSA-N 1 3 341.499 2.395 20 30 EEEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246309712 1310278537 /nfs/dbraw/zinc/27/85/37/1310278537.db2.gz WMAVKWWIFLPLTR-GBESFXJTSA-N 1 3 345.487 2.296 20 30 EEEDHO C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)N(C)CC)C1 ZINC001149937464 1316096481 /nfs/dbraw/zinc/09/64/81/1316096481.db2.gz SJBRZZOMGOXTQU-DLBZAZTESA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)N(C)CC)C1 ZINC001149937464 1316096487 /nfs/dbraw/zinc/09/64/87/1316096487.db2.gz SJBRZZOMGOXTQU-DLBZAZTESA-N 1 3 339.524 2.279 20 30 EEEDHO C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001150351386 1316240945 /nfs/dbraw/zinc/24/09/45/1316240945.db2.gz XKBSIDBGVQMSBE-ROUUACIJSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001150351386 1316240950 /nfs/dbraw/zinc/24/09/50/1316240950.db2.gz XKBSIDBGVQMSBE-ROUUACIJSA-N 1 3 339.524 2.280 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)CC1 ZINC001152329981 1316657685 /nfs/dbraw/zinc/65/76/85/1316657685.db2.gz GLTLWWITNWNHCY-GOSISDBHSA-N 1 3 341.499 2.415 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481362 1317155226 /nfs/dbraw/zinc/15/52/26/1317155226.db2.gz OKBDSGKCMKAGBG-QGZVFWFLSA-N 1 3 329.488 2.254 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894342 1317373247 /nfs/dbraw/zinc/37/32/47/1317373247.db2.gz MKGZWUGNIUDZBE-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CCC[C@H](O)CNCCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001252621285 1317647983 /nfs/dbraw/zinc/64/79/83/1317647983.db2.gz ZWKQJVCAUTXKRV-INIZCTEOSA-N 1 3 343.512 2.140 20 30 EEEDHO C=CCC[C@H](O)CNCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001252621285 1317647992 /nfs/dbraw/zinc/64/79/92/1317647992.db2.gz ZWKQJVCAUTXKRV-INIZCTEOSA-N 1 3 343.512 2.140 20 30 EEEDHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001160273120 1320118713 /nfs/dbraw/zinc/11/87/13/1320118713.db2.gz HSGAMCJEXYOKHK-QGZVFWFLSA-N 1 3 346.450 2.168 20 30 EEEDHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCCNCc1cc(C#N)ccc1F ZINC001160273120 1320118720 /nfs/dbraw/zinc/11/87/20/1320118720.db2.gz HSGAMCJEXYOKHK-QGZVFWFLSA-N 1 3 346.450 2.168 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@H+](CC=C(C)C)CC2)CC1 ZINC001161946761 1320688347 /nfs/dbraw/zinc/68/83/47/1320688347.db2.gz BLWAOOWYXYPNAS-UHFFFAOYSA-N 1 3 343.515 2.436 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2=CC[N@@H+](CC=C(C)C)CC2)CC1 ZINC001161946761 1320688351 /nfs/dbraw/zinc/68/83/51/1320688351.db2.gz BLWAOOWYXYPNAS-UHFFFAOYSA-N 1 3 343.515 2.436 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960535 1320996970 /nfs/dbraw/zinc/99/69/70/1320996970.db2.gz XTXCEDRVTINVJL-UHFFFAOYSA-N 1 3 329.488 2.012 20 30 EEEDHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001163820503 1321225092 /nfs/dbraw/zinc/22/50/92/1321225092.db2.gz FUFDYEJHWMVFTH-IBGZPJMESA-N 1 3 339.483 2.008 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCC(=C)C)C23CCC3)CC1 ZINC001203773319 1321958320 /nfs/dbraw/zinc/95/83/20/1321958320.db2.gz VIVGLYNNMJHCSX-RTBURBONSA-N 1 3 343.515 2.315 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205663560 1323234433 /nfs/dbraw/zinc/23/44/33/1323234433.db2.gz CWVDARYFPUFSAD-PKOBYXMFSA-N 1 3 345.462 2.075 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001210493468 1325309025 /nfs/dbraw/zinc/30/90/25/1325309025.db2.gz LOPNWTNIFBUYLA-KRWDZBQOSA-N 1 3 346.450 2.120 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001210493468 1325309034 /nfs/dbraw/zinc/30/90/34/1325309034.db2.gz LOPNWTNIFBUYLA-KRWDZBQOSA-N 1 3 346.450 2.120 20 30 EEEDHO C=CCCC[C@H]([NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001340044219 1337115206 /nfs/dbraw/zinc/11/52/06/1337115206.db2.gz GQCOCBMNCCRKMV-HNNXBMFYSA-N 1 3 325.522 2.148 20 30 EEEDHO C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(C)C)CCCO1 ZINC001200478391 1338356566 /nfs/dbraw/zinc/35/65/66/1338356566.db2.gz ISOCUHFLPGUIAS-ROUUACIJSA-N 1 3 337.508 2.033 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CC(=C)C)CCCCC2)CC1 ZINC001120197066 1371813631 /nfs/dbraw/zinc/81/36/31/1371813631.db2.gz UPXFQIZIIPEPGT-UHFFFAOYSA-N 1 3 331.504 2.316 20 30 EEEDHO C=C(Cl)CNC1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001100730794 1373141800 /nfs/dbraw/zinc/14/18/00/1373141800.db2.gz PBGZAVYIWRUEDY-FHERZECASA-N 1 3 327.900 2.488 20 30 EEEDHO C=C(Br)C[NH2+][C@@H]1CCC[C@H](NC(=O)CN(C)CCC)C1 ZINC001371662280 1375563059 /nfs/dbraw/zinc/56/30/59/1375563059.db2.gz YKEDCCQFDLTZKR-KGLIPLIRSA-N 1 3 346.313 2.254 20 30 EEEDHO C=C(Br)CN[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001392251532 1389927800 /nfs/dbraw/zinc/92/78/00/1389927800.db2.gz VHNZFKKFONWKEY-KBPBESRZSA-N 1 3 348.329 2.212 20 30 EEEDHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCc2ccc(C#N)s2)CC1 ZINC001392602565 1390111589 /nfs/dbraw/zinc/11/15/89/1390111589.db2.gz OFKNCFOCSYUYCN-AWEZNQCLSA-N 1 3 348.516 2.334 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCCC(F)(F)F)CC1 ZINC001752920832 1406548304 /nfs/dbraw/zinc/54/83/04/1406548304.db2.gz HJSARVZWBHNDMH-CQSZACIVSA-N 1 3 347.425 2.159 20 30 EEEDHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001400202717 1396046297 /nfs/dbraw/zinc/04/62/97/1396046297.db2.gz LDVAKECPKRDFOW-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001400202717 1396046314 /nfs/dbraw/zinc/04/63/14/1396046314.db2.gz LDVAKECPKRDFOW-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO C=CCCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001574908834 1403528536 /nfs/dbraw/zinc/52/85/36/1403528536.db2.gz XYNSDSDGZDGVJC-GOSISDBHSA-N 1 3 331.460 2.265 20 30 EEEDHO C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001755360157 1407357129 /nfs/dbraw/zinc/35/71/29/1407357129.db2.gz SEPMSAFAJZYQMS-LPHOPBHVSA-N 1 3 339.499 2.487 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c(F)cccc1Cl ZINC000305050994 1409798617 /nfs/dbraw/zinc/79/86/17/1409798617.db2.gz CPCHZQOIKYZBHI-GFCCVEGCSA-N 1 3 326.847 2.410 20 30 EEEDHO C#CCC[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232691 757537326 /nfs/dbraw/zinc/53/73/26/757537326.db2.gz MMZRIQXSSMYEMH-IBGZPJMESA-N 1 3 337.483 2.098 20 30 EEEDHO C#CCN1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@H]21 ZINC001087311620 761586832 /nfs/dbraw/zinc/58/68/32/761586832.db2.gz RESZHEWFABYHOY-QYZOEREBSA-N 1 3 345.531 2.345 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070904 773473829 /nfs/dbraw/zinc/47/38/29/773473829.db2.gz SZWCLPDMZJDFMU-YLJYHZDGSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)CC1 ZINC000948070904 773473833 /nfs/dbraw/zinc/47/38/33/773473833.db2.gz SZWCLPDMZJDFMU-YLJYHZDGSA-N 1 3 345.531 2.491 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216237 774126524 /nfs/dbraw/zinc/12/65/24/774126524.db2.gz RBBBRTJKBBYMTJ-ARFHVFGLSA-N 1 3 337.895 2.051 20 30 EEEDHO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089847717 777905993 /nfs/dbraw/zinc/90/59/93/777905993.db2.gz WVFQVDGZPKMTEO-XSLAGTTESA-N 1 3 331.504 2.216 20 30 EEEDHO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089847717 777906002 /nfs/dbraw/zinc/90/60/02/777906002.db2.gz WVFQVDGZPKMTEO-XSLAGTTESA-N 1 3 331.504 2.216 20 30 EEEDHO C#Cc1ccc(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000809629344 783254332 /nfs/dbraw/zinc/25/43/32/783254332.db2.gz MZJNIQXKKWFOEV-NRFANRHFSA-N 1 3 349.478 2.047 20 30 EEEDHO C=C(Br)CN[C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135307119 783565776 /nfs/dbraw/zinc/56/57/76/783565776.db2.gz ANAROQXPFYSSGA-OLZOCXBDSA-N 1 3 334.302 2.110 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)NCc1cc(F)ccc1C#N ZINC001135373349 783663451 /nfs/dbraw/zinc/66/34/51/783663451.db2.gz VWKHEGTTYLXBQF-KGLIPLIRSA-N 1 3 334.439 2.022 20 30 EEEDHO C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882900 784700023 /nfs/dbraw/zinc/70/00/23/784700023.db2.gz VMWXJDJDVUDBKK-CHWSQXEVSA-N 1 3 334.302 2.110 20 30 EEEDHO C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135882900 784700031 /nfs/dbraw/zinc/70/00/31/784700031.db2.gz VMWXJDJDVUDBKK-CHWSQXEVSA-N 1 3 334.302 2.110 20 30 EEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)CC2 ZINC001035794802 785144002 /nfs/dbraw/zinc/14/40/02/785144002.db2.gz KAFFNQLSFPQFEM-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C=CCN1CC2(C1)CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)CC2 ZINC001035794802 785144005 /nfs/dbraw/zinc/14/40/05/785144005.db2.gz KAFFNQLSFPQFEM-IBGZPJMESA-N 1 3 337.483 2.309 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035857292 785297798 /nfs/dbraw/zinc/29/77/98/785297798.db2.gz LLEFMRQZROXDDG-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1cccc(F)c1 ZINC001079198793 794445706 /nfs/dbraw/zinc/44/57/06/794445706.db2.gz RPOGKTVAKCYVAZ-ZYSHUDEJSA-N 1 3 345.462 2.238 20 30 EEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902958 796441178 /nfs/dbraw/zinc/44/11/78/796441178.db2.gz SOVLDZGIEANUED-RTBURBONSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902958 796441182 /nfs/dbraw/zinc/44/11/82/796441182.db2.gz SOVLDZGIEANUED-RTBURBONSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171586922 796634109 /nfs/dbraw/zinc/63/41/09/796634109.db2.gz VXAATLDHOWJQSP-MRXNPFEDSA-N 1 3 327.513 2.184 20 30 EEEDHO C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001171873938 796761406 /nfs/dbraw/zinc/76/14/06/796761406.db2.gz VUCXGXCQFRBOKI-SARBKMAYSA-N 1 3 349.519 2.080 20 30 EEEDHO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001094935987 797067931 /nfs/dbraw/zinc/06/79/31/797067931.db2.gz SDVMUEYCRARGOP-KKUMJFAQSA-N 1 3 325.884 2.192 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089401616 798384933 /nfs/dbraw/zinc/38/49/33/798384933.db2.gz VVHLPCZLMXRMJC-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2CCC)CC(C)(C)C1 ZINC001089401616 798384938 /nfs/dbraw/zinc/38/49/38/798384938.db2.gz VVHLPCZLMXRMJC-QZTJIDSGSA-N 1 3 333.520 2.491 20 30 EEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033005 798623218 /nfs/dbraw/zinc/62/32/18/798623218.db2.gz MSWBQRZCBULWDG-GJYPPUQNSA-N 1 3 337.483 2.308 20 30 EEEDHO C=CCN1CC[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@@H]21 ZINC001085033005 798623221 /nfs/dbraw/zinc/62/32/21/798623221.db2.gz MSWBQRZCBULWDG-GJYPPUQNSA-N 1 3 337.483 2.308 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001176926811 798630932 /nfs/dbraw/zinc/63/09/32/798630932.db2.gz VYKDFRGCLAFXRH-UHFFFAOYSA-N 1 3 341.499 2.245 20 30 EEEDHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H]1C ZINC001180222368 800315210 /nfs/dbraw/zinc/31/52/10/800315210.db2.gz NOQVIRDZIJTVNC-BBRMVZONSA-N 1 3 334.489 2.039 20 30 EEEDHO C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC001180372884 800404535 /nfs/dbraw/zinc/40/45/35/800404535.db2.gz KZGVHFVLDPMLQT-GOSISDBHSA-N 1 3 339.524 2.330 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001086217084 802520376 /nfs/dbraw/zinc/52/03/76/802520376.db2.gz NDTIMGULEJYQAL-XHSDSOJGSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086217084 802520382 /nfs/dbraw/zinc/52/03/82/802520382.db2.gz NDTIMGULEJYQAL-XHSDSOJGSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(C)CN1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100071556 802822111 /nfs/dbraw/zinc/82/21/11/802822111.db2.gz GAYUPFBVOKRZKY-MSOLQXFVSA-N 1 3 339.524 2.016 20 30 EEEDHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(F)c(C#N)c1 ZINC001437261725 1089404838 /nfs/dbraw/zinc/40/48/38/1089404838.db2.gz LUPKJNJROXPNBQ-HNNXBMFYSA-N 1 3 346.450 2.168 20 30 EEEDHO C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498329797 1107305578 /nfs/dbraw/zinc/30/55/78/1107305578.db2.gz LIQNSCKQGQPPTO-MRXNPFEDSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000491636624 246093267 /nfs/dbraw/zinc/09/32/67/246093267.db2.gz TVPWOZVULLDRDV-UHFFFAOYSA-N 1 3 327.472 2.148 20 30 EEEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920829 162346451 /nfs/dbraw/zinc/34/64/51/162346451.db2.gz BCNPCBNDSHLKNU-JWTNVVGKSA-N 1 3 326.444 2.444 20 30 EEEDHO CN(CCC(=O)Nc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920829 162346453 /nfs/dbraw/zinc/34/64/53/162346453.db2.gz BCNPCBNDSHLKNU-JWTNVVGKSA-N 1 3 326.444 2.444 20 30 EEEDHO CC[NH+]=C(NC[C@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000086763962 462580023 /nfs/dbraw/zinc/58/00/23/462580023.db2.gz SVQNUICPNLNZMX-IYHXRUFHSA-N 1 3 348.491 2.058 20 30 EEEDHO C=CCN1CC[C@H](N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000281927940 464637479 /nfs/dbraw/zinc/63/74/79/464637479.db2.gz HVAQEKCFQPQHQC-IBGZPJMESA-N 1 3 342.487 2.407 20 30 EEEDHO C[C@H](NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330237130 465580311 /nfs/dbraw/zinc/58/03/11/465580311.db2.gz AMJCGEDYUOAROA-ARFHVFGLSA-N 1 3 345.491 2.355 20 30 EEEDHO C[C@H](NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000330237130 465580319 /nfs/dbraw/zinc/58/03/19/465580319.db2.gz AMJCGEDYUOAROA-ARFHVFGLSA-N 1 3 345.491 2.355 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000422163371 466668039 /nfs/dbraw/zinc/66/80/39/466668039.db2.gz FPWGHRGWWHZNCZ-MSOLQXFVSA-N 1 3 336.524 2.421 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1C)C(C)C ZINC000422163371 466668042 /nfs/dbraw/zinc/66/80/42/466668042.db2.gz FPWGHRGWWHZNCZ-MSOLQXFVSA-N 1 3 336.524 2.421 20 30 EEEDHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCC#N ZINC000424153433 466991796 /nfs/dbraw/zinc/99/17/96/466991796.db2.gz KZOCCESHIHTHNO-RBUKOAKNSA-N 1 3 342.487 2.378 20 30 EEEDHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCC#N ZINC000424153433 466991801 /nfs/dbraw/zinc/99/18/01/466991801.db2.gz KZOCCESHIHTHNO-RBUKOAKNSA-N 1 3 342.487 2.378 20 30 EEEDHO N#CCCC[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000424157145 466992685 /nfs/dbraw/zinc/99/26/85/466992685.db2.gz PJDQPLGRFZYPLC-INIZCTEOSA-N 1 3 334.489 2.097 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000425648260 467118689 /nfs/dbraw/zinc/11/86/89/467118689.db2.gz GSDFQSHBBNLCHQ-GBESFXJTSA-N 1 3 348.535 2.421 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC000425648260 467118691 /nfs/dbraw/zinc/11/86/91/467118691.db2.gz GSDFQSHBBNLCHQ-GBESFXJTSA-N 1 3 348.535 2.421 20 30 EEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000533051215 468165406 /nfs/dbraw/zinc/16/54/06/468165406.db2.gz MJESIGCLRUPKQD-GOSISDBHSA-N 1 3 345.491 2.166 20 30 EEEDHO CN1CC[N@H+](CCCNC[C@@H](C#N)CCC#N)[C@@H](c2ccccc2)C1 ZINC000591725387 468511033 /nfs/dbraw/zinc/51/10/33/468511033.db2.gz WICOVGJQPYKICC-UYAOXDASSA-N 1 3 339.487 2.398 20 30 EEEDHO CN1CC[N@@H+](CCCNC[C@@H](C#N)CCC#N)[C@@H](c2ccccc2)C1 ZINC000591725387 468511037 /nfs/dbraw/zinc/51/10/37/468511037.db2.gz WICOVGJQPYKICC-UYAOXDASSA-N 1 3 339.487 2.398 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3CC#N)CC2)CC1 ZINC000601024733 468722481 /nfs/dbraw/zinc/72/24/81/468722481.db2.gz ZOZZLDFHHQVFII-UHFFFAOYSA-N 1 3 340.471 2.041 20 30 EEEDHO C=CCN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625322905 470119192 /nfs/dbraw/zinc/11/91/92/470119192.db2.gz MMQNMBXUSQGCOP-MOPGFXCFSA-N 1 3 327.472 2.098 20 30 EEEDHO C=CCN1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625322905 470119194 /nfs/dbraw/zinc/11/91/94/470119194.db2.gz MMQNMBXUSQGCOP-MOPGFXCFSA-N 1 3 327.472 2.098 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Br)s1 ZINC000261969626 682697505 /nfs/dbraw/zinc/69/75/05/682697505.db2.gz CQWYUGYUHLSMPA-JTQLQIEISA-N 1 3 345.310 2.399 20 30 EEEDHO C[NH+]=C(NCC1(N(C)C)CCCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262756051 688354627 /nfs/dbraw/zinc/35/46/27/688354627.db2.gz HMMWIHYQTPHHQE-MRXNPFEDSA-N 1 3 335.540 2.043 20 30 EEEDHO C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353854 688503801 /nfs/dbraw/zinc/50/38/01/688503801.db2.gz JPKAMCJKXMMZKD-KXBFYZLASA-N 1 3 340.471 2.122 20 30 EEEDHO CN(CCCOc1ccc(C#N)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000179129390 690644982 /nfs/dbraw/zinc/64/49/82/690644982.db2.gz DDALSGZIRBTOHK-UHFFFAOYSA-N 1 3 344.503 2.285 20 30 EEEDHO CN(CCCOc1ccc(C#N)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000179129390 690644985 /nfs/dbraw/zinc/64/49/85/690644985.db2.gz DDALSGZIRBTOHK-UHFFFAOYSA-N 1 3 344.503 2.285 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028217 1193332798 /nfs/dbraw/zinc/33/27/98/1193332798.db2.gz FYTFJGWNDWPZBX-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088025 1193361556 /nfs/dbraw/zinc/36/15/56/1193361556.db2.gz ABCOSHMBAMUZDV-QFBILLFUSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105564075 1188180592 /nfs/dbraw/zinc/18/05/92/1188180592.db2.gz VWAVJLPPNBNDPW-RBUKOAKNSA-N 1 3 345.531 2.493 20 30 EEEDHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001168320636 1188290873 /nfs/dbraw/zinc/29/08/73/1188290873.db2.gz HWDFYOAGLFYYKN-UHFFFAOYSA-N 1 3 341.499 2.254 20 30 EEEDHO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)CN(C)CC(C)(C)C ZINC001483266558 1190291556 /nfs/dbraw/zinc/29/15/56/1190291556.db2.gz ONMOMJVJVVRXFF-HNNXBMFYSA-N 1 3 330.476 2.130 20 30 EEEDHO CC(C)CCNC(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000104169359 1204611548 /nfs/dbraw/zinc/61/15/48/1204611548.db2.gz PFXZHSNLJVNJHD-LJQANCHMSA-N 1 3 345.535 2.316 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947802371 1208723423 /nfs/dbraw/zinc/72/34/23/1208723423.db2.gz YJFCGBZDBLHTNR-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000303971846 1213933404 /nfs/dbraw/zinc/93/34/04/1213933404.db2.gz FENUKHMIYZYQDK-OAHLLOKOSA-N 1 3 346.475 2.082 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)CC1 ZINC001037276080 1216277836 /nfs/dbraw/zinc/27/78/36/1216277836.db2.gz GSGQNINADWXBIJ-RBUKOAKNSA-N 1 3 331.504 2.006 20 30 EEEDHO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230570 1217099531 /nfs/dbraw/zinc/09/95/31/1217099531.db2.gz KWAIBJAAFXSWOD-ZWKOTPCHSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230570 1217099533 /nfs/dbraw/zinc/09/95/33/1217099533.db2.gz KWAIBJAAFXSWOD-ZWKOTPCHSA-N 1 3 333.520 2.465 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961377004 1217165019 /nfs/dbraw/zinc/16/50/19/1217165019.db2.gz VIKOHMZUTHKXGW-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961377004 1217165022 /nfs/dbraw/zinc/16/50/22/1217165022.db2.gz VIKOHMZUTHKXGW-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968419415 1221289579 /nfs/dbraw/zinc/28/95/79/1221289579.db2.gz ULWUJRFGNCBEIW-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001016820729 1226903623 /nfs/dbraw/zinc/90/36/23/1226903623.db2.gz SSTWJBLXALRKAM-LJQANCHMSA-N 1 3 339.483 2.008 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153966 1230373730 /nfs/dbraw/zinc/37/37/30/1230373730.db2.gz LWXCKESWQBYBFW-RTBURBONSA-N 1 3 333.520 2.156 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153966 1230373733 /nfs/dbraw/zinc/37/37/33/1230373733.db2.gz LWXCKESWQBYBFW-RTBURBONSA-N 1 3 333.520 2.156 20 30 EEEDHO 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346.519 2.477 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001411273190 1199025825 /nfs/dbraw/zinc/02/58/25/1199025825.db2.gz HIPTWAHOOAJJRO-ACBHZAAOSA-N 1 3 342.487 2.223 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133342200 1200766297 /nfs/dbraw/zinc/76/62/97/1200766297.db2.gz NOUNDSNXIKPODL-PKOBYXMFSA-N 1 3 341.499 2.459 20 30 EEEDHO N#CCCCN1CC[C@@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274266639 1204979797 /nfs/dbraw/zinc/97/97/97/1204979797.db2.gz ADFPJEFKJHWREM-LJQANCHMSA-N 1 3 337.427 2.291 20 30 EEEDHO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274266639 1204979798 /nfs/dbraw/zinc/97/97/98/1204979798.db2.gz ADFPJEFKJHWREM-LJQANCHMSA-N 1 3 337.427 2.291 20 30 EEEDHO C=CC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)N1CCCCC1)CCO2 ZINC000949095460 1209533333 /nfs/dbraw/zinc/53/33/33/1209533333.db2.gz MNMVUBSEFPZVOS-UHFFFAOYSA-N 1 3 349.519 2.130 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccc2ccccc21 ZINC000303778324 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CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045966675 1234246440 /nfs/dbraw/zinc/24/64/40/1234246440.db2.gz CGNYIQGQAMCDDQ-AZUAARDMSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967562 1234248462 /nfs/dbraw/zinc/24/84/62/1234248462.db2.gz XLQYPZKRGKVCAJ-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967562 1234248466 /nfs/dbraw/zinc/24/84/66/1234248466.db2.gz XLQYPZKRGKVCAJ-AZUAARDMSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047226774 1235701536 /nfs/dbraw/zinc/70/15/36/1235701536.db2.gz XHYHFWUGZQIJTA-OALUTQOASA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048531372 1237886815 /nfs/dbraw/zinc/88/68/15/1237886815.db2.gz MFVWQAHZKUBWEO-FCGDIQPGSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1CCC)C2 ZINC001048531372 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VOFFBDOEWHKUCK-MOPGFXCFSA-N 1 3 327.472 2.057 20 30 EEEDHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054061145 1247275558 /nfs/dbraw/zinc/27/55/58/1247275558.db2.gz VOFFBDOEWHKUCK-MOPGFXCFSA-N 1 3 327.472 2.057 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129431 1247471594 /nfs/dbraw/zinc/47/15/94/1247471594.db2.gz QSJHNYWYCLVMGL-ICSRJNTNSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001054129431 1247471602 /nfs/dbraw/zinc/47/16/02/1247471602.db2.gz QSJHNYWYCLVMGL-ICSRJNTNSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001054225789 1247774913 /nfs/dbraw/zinc/77/49/13/1247774913.db2.gz DLNSSNSUIYYYHT-NRFANRHFSA-N 1 3 343.515 2.056 20 30 EEEDHO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099355 1254931137 /nfs/dbraw/zinc/93/11/37/1254931137.db2.gz PSKZFUOCRJRBTB-AEFFLSMTSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001072099355 1254931146 /nfs/dbraw/zinc/93/11/46/1254931146.db2.gz PSKZFUOCRJRBTB-AEFFLSMTSA-N 1 3 327.472 2.354 20 30 EEEDHO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001188673265 1279982987 /nfs/dbraw/zinc/98/29/87/1279982987.db2.gz HHPGWYDCWPJPHF-OTWHNJEPSA-N 1 3 331.504 2.360 20 30 EEEDHO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001188673265 1279982988 /nfs/dbraw/zinc/98/29/88/1279982988.db2.gz HHPGWYDCWPJPHF-OTWHNJEPSA-N 1 3 331.504 2.360 20 30 EEEDHO CN(C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)c1 ZINC001152236830 1283719445 /nfs/dbraw/zinc/71/94/45/1283719445.db2.gz FWUKFZFSAIUDTM-UHFFFAOYSA-N 1 3 336.439 2.139 20 30 EEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001220868616 1298566593 /nfs/dbraw/zinc/56/65/93/1298566593.db2.gz MDOJSOJTNMWWIL-QYZOEREBSA-N 1 3 327.472 2.494 20 30 EEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185534 1302415555 /nfs/dbraw/zinc/41/55/55/1302415555.db2.gz BMHOPHHGAGEBPT-GDBMZVCRSA-N 1 3 339.911 2.442 20 30 EEEDHO CCCCCCCCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238243900 1306305347 /nfs/dbraw/zinc/30/53/47/1306305347.db2.gz WNFDSOXFXLDAOC-INIZCTEOSA-N 1 3 345.553 2.141 20 30 EEEDHO CCCCCCCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238243900 1306305358 /nfs/dbraw/zinc/30/53/58/1306305358.db2.gz WNFDSOXFXLDAOC-INIZCTEOSA-N 1 3 345.553 2.141 20 30 EEEDHO C[NH+](C)Cc1cccc(C(=O)NCCNCc2ccc(C#N)s2)c1 ZINC001152236869 1316649074 /nfs/dbraw/zinc/64/90/74/1316649074.db2.gz GYRMZZGBAZJKGI-UHFFFAOYSA-N 1 3 342.468 2.201 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001152330335 1316657715 /nfs/dbraw/zinc/65/77/15/1316657715.db2.gz MEYRLHVAUOLXOU-CQSZACIVSA-N 1 3 349.425 2.077 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001152330007 1316657826 /nfs/dbraw/zinc/65/78/26/1316657826.db2.gz HITRDIAQANYRTQ-ROUUACIJSA-N 1 3 333.520 2.254 20 30 EEEDHO N#Cc1cccc(CNCCNC(=O)CCCC[NH+]2CCCC2)c1 ZINC001153309321 1316808320 /nfs/dbraw/zinc/80/83/20/1316808320.db2.gz MFRQOVKWWLKPAJ-UHFFFAOYSA-N 1 3 328.460 2.030 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362220 1316817249 /nfs/dbraw/zinc/81/72/49/1316817249.db2.gz KXPPABSKCFWDMM-MSOLQXFVSA-N 1 3 333.520 2.491 20 30 EEEDHO CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362220 1316817251 /nfs/dbraw/zinc/81/72/51/1316817251.db2.gz KXPPABSKCFWDMM-MSOLQXFVSA-N 1 3 333.520 2.491 20 30 EEEDHO CCN(Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898295 1317375225 /nfs/dbraw/zinc/37/52/25/1317375225.db2.gz GLULUNGLGWASPT-MRXNPFEDSA-N 1 3 342.487 2.227 20 30 EEEDHO N#Cc1c(N[C@H]2CNCc3ccsc32)ncc2c1CCC[NH2+]C2 ZINC001155559890 1317652281 /nfs/dbraw/zinc/65/22/81/1317652281.db2.gz REVZLFKULHMGKH-HNNXBMFYSA-N 1 3 325.441 2.307 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001166634898 1321756034 /nfs/dbraw/zinc/75/60/34/1321756034.db2.gz YEDROHQCZSZUCY-INIZCTEOSA-N 1 3 347.890 2.272 20 30 EEEDHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001391692696 1389527246 /nfs/dbraw/zinc/52/72/46/1389527246.db2.gz GLPUYYVTIGXYHD-KRWDZBQOSA-N 1 3 328.460 2.027 20 30 EEEDHO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001752834160 1406461567 /nfs/dbraw/zinc/46/15/67/1406461567.db2.gz ORADHAWEKJVHJB-ZWKOTPCHSA-N 1 3 333.520 2.443 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001752834160 1406461571 /nfs/dbraw/zinc/46/15/71/1406461571.db2.gz ORADHAWEKJVHJB-ZWKOTPCHSA-N 1 3 333.520 2.443 20 30 EEEDHO C[NH+](C)CCC(=O)N1CCC[C@@H](CCNCc2ccccc2C#N)C1 ZINC001753555020 1406758531 /nfs/dbraw/zinc/75/85/31/1406758531.db2.gz MWPSDHXHIQATGJ-KRWDZBQOSA-N 1 3 342.487 2.228 20 30 EEEDHO C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C[NH3+] ZINC001576729765 1403600931 /nfs/dbraw/zinc/60/09/31/1403600931.db2.gz YDUKVBBLPCOKMX-JSGCOSHPSA-N 1 3 334.851 2.457 20 30 EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001755770235 1407831429 /nfs/dbraw/zinc/83/14/29/1407831429.db2.gz QJZDZDCXZFVODB-UONOGXRCSA-N 1 3 335.414 2.129 20 30 EEEDHO C[C@@]1(CNC(=O)[C@@H](N)CCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000691560095 1410397420 /nfs/dbraw/zinc/39/74/20/1410397420.db2.gz JBWNIZWPZKKFTA-HKUYNNGSSA-N 1 3 328.460 2.036 20 30 EEEDHO C[C@@]1(CNC(=O)[C@@H](N)CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000691560095 1410397425 /nfs/dbraw/zinc/39/74/25/1410397425.db2.gz JBWNIZWPZKKFTA-HKUYNNGSSA-N 1 3 328.460 2.036 20 30 EEEDHO N#Cc1c2c(cnc1N1CCN(C3CCCC3)CC1)C[NH2+]CCC2 ZINC001165029428 721852508 /nfs/dbraw/zinc/85/25/08/721852508.db2.gz LUSQWUZZTAISSA-UHFFFAOYSA-N 1 3 325.460 2.054 20 30 EEEDHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980257497 774201894 /nfs/dbraw/zinc/20/18/94/774201894.db2.gz UQAHMWMFRFIAHS-UHOSZYNNSA-N 1 3 339.483 2.212 20 30 EEEDHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980257497 774201898 /nfs/dbraw/zinc/20/18/98/774201898.db2.gz UQAHMWMFRFIAHS-UHOSZYNNSA-N 1 3 339.483 2.212 20 30 EEEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]C)CC1 ZINC000261606259 779410128 /nfs/dbraw/zinc/41/01/28/779410128.db2.gz DPFYGZVFGQFWHM-KSZLIROESA-N 1 3 346.519 2.150 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001028333796 780785320 /nfs/dbraw/zinc/78/53/20/780785320.db2.gz RHAMVNYQLYHAQW-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)CC1 ZINC001028333796 780785324 /nfs/dbraw/zinc/78/53/24/780785324.db2.gz RHAMVNYQLYHAQW-FQEVSTJZSA-N 1 3 345.531 2.493 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979027 784903808 /nfs/dbraw/zinc/90/38/08/784903808.db2.gz AYMYYLWGHCWHPK-CVEARBPZSA-N 1 3 330.476 2.273 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135977545 784927864 /nfs/dbraw/zinc/92/78/64/784927864.db2.gz VGSBEQUKPZDCEB-KBPBESRZSA-N 1 3 336.505 2.334 20 30 EEEDHO CC#CC[NH+]1CC2(C1)CCN(C(=O)c1sccc1CN(C)C)CC2 ZINC001035719314 785012223 /nfs/dbraw/zinc/01/22/23/785012223.db2.gz SEPOARGFEVMNTB-UHFFFAOYSA-N 1 3 345.512 2.371 20 30 EEEDHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001136032151 785015107 /nfs/dbraw/zinc/01/51/07/785015107.db2.gz WRMHNYUMACRWNQ-KGLIPLIRSA-N 1 3 339.443 2.205 20 30 EEEDHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CCC1 ZINC000996671349 787092253 /nfs/dbraw/zinc/09/22/53/787092253.db2.gz MOKNXCCIGOMUJS-UHFFFAOYSA-N 1 3 340.471 2.123 20 30 EEEDHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1)N(C)C ZINC000996718394 787274107 /nfs/dbraw/zinc/27/41/07/787274107.db2.gz OLHMSHQSPLOBSU-GOSISDBHSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC(=C)C)CC2)CC1 ZINC000997874477 791328380 /nfs/dbraw/zinc/32/83/80/791328380.db2.gz PQVAMKQLDAWBQM-KRWDZBQOSA-N 1 3 331.504 2.124 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593168 791363648 /nfs/dbraw/zinc/36/36/48/791363648.db2.gz OHKUUJCKXLMDDT-GJZGRUSLSA-N 1 3 348.466 2.410 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC001089059385 792021659 /nfs/dbraw/zinc/02/16/59/792021659.db2.gz JYOVYUKMPKVQMJ-APWZRJJASA-N 1 3 345.531 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@@H]2C)CC1 ZINC001089059385 792021665 /nfs/dbraw/zinc/02/16/65/792021665.db2.gz JYOVYUKMPKVQMJ-APWZRJJASA-N 1 3 345.531 2.347 20 30 EEEDHO CC#CCN1CC[C@@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992503247 794431300 /nfs/dbraw/zinc/43/13/00/794431300.db2.gz DSNQVMVMYMLKJC-CTNGQTDRSA-N 1 3 339.483 2.498 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380252 795117957 /nfs/dbraw/zinc/11/79/57/795117957.db2.gz VBYNPAFZIWTBHX-OALUTQOASA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093380252 795117959 /nfs/dbraw/zinc/11/79/59/795117959.db2.gz VBYNPAFZIWTBHX-OALUTQOASA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001093381094 795121138 /nfs/dbraw/zinc/12/11/38/795121138.db2.gz GOJCLIYYKHQTAC-XLIONFOSSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001093381094 795121146 /nfs/dbraw/zinc/12/11/46/795121146.db2.gz GOJCLIYYKHQTAC-XLIONFOSSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)CCC=C)CC1 ZINC001110147133 795383812 /nfs/dbraw/zinc/38/38/12/795383812.db2.gz MEUZXUMRVLYLSS-LMCOJAPRSA-N 1 3 343.515 2.408 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)CCC=C)CC1 ZINC001110147133 795383821 /nfs/dbraw/zinc/38/38/21/795383821.db2.gz MEUZXUMRVLYLSS-LMCOJAPRSA-N 1 3 343.515 2.408 20 30 EEEDHO C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666861 796073427 /nfs/dbraw/zinc/07/34/27/796073427.db2.gz XKOPVOGYPZMCLD-IIDMSEBBSA-N 1 3 325.472 2.069 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124562 796642497 /nfs/dbraw/zinc/64/24/97/796642497.db2.gz LSPHIYILBDEHQO-XUVXKRRUSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1ccccc1 ZINC001081124562 796642500 /nfs/dbraw/zinc/64/25/00/796642500.db2.gz LSPHIYILBDEHQO-XUVXKRRUSA-N 1 3 339.483 2.078 20 30 EEEDHO CN1CCC[C@H]1CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426434 797447699 /nfs/dbraw/zinc/44/76/99/797447699.db2.gz ZAHPXIMVVJANKF-IBGZPJMESA-N 1 3 340.471 2.237 20 30 EEEDHO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850009 798503891 /nfs/dbraw/zinc/50/38/91/798503891.db2.gz FBIQEEJOHMRDPF-RTBURBONSA-N 1 3 327.472 2.471 20 30 EEEDHO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850009 798503896 /nfs/dbraw/zinc/50/38/96/798503896.db2.gz FBIQEEJOHMRDPF-RTBURBONSA-N 1 3 327.472 2.471 20 30 EEEDHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCNCc1ccccc1C#N ZINC001176844591 798617751 /nfs/dbraw/zinc/61/77/51/798617751.db2.gz LNLBEEYIVRKREV-HZPDHXFCSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCNCc1ccccc1C#N ZINC001176844590 798617811 /nfs/dbraw/zinc/61/78/11/798617811.db2.gz LNLBEEYIVRKREV-HOTGVXAUSA-N 1 3 328.460 2.027 20 30 EEEDHO CC(C)N(C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1Cl ZINC001176972022 798665965 /nfs/dbraw/zinc/66/59/65/798665965.db2.gz LAEHMMBZHQDZLN-UHFFFAOYSA-N 1 3 335.879 2.128 20 30 EEEDHO CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CCC[C@@H]1C ZINC001177415881 798933960 /nfs/dbraw/zinc/93/39/60/798933960.db2.gz MRHXHRHELOETLP-SFHVURJKSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCN1C ZINC001178045370 799230223 /nfs/dbraw/zinc/23/02/23/799230223.db2.gz JTLQGVFAPLXNGD-AWEZNQCLSA-N 1 3 346.313 2.255 20 30 EEEDHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001179763581 800096015 /nfs/dbraw/zinc/09/60/15/800096015.db2.gz MCGBRSDTDIOPTO-KSSFIOAISA-N 1 3 346.450 2.118 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578219 802079813 /nfs/dbraw/zinc/07/98/13/802079813.db2.gz SJHYEZJNLFAANG-DZGCQCFKSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000268621293 252076023 /nfs/dbraw/zinc/07/60/23/252076023.db2.gz YIXDXPJGSONTRL-FQEVSTJZSA-N 1 3 339.483 2.065 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268621293 252076026 /nfs/dbraw/zinc/07/60/26/252076026.db2.gz YIXDXPJGSONTRL-FQEVSTJZSA-N 1 3 339.483 2.065 20 30 EEEDHO CC(C)C[NH+]1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279468322 265800542 /nfs/dbraw/zinc/80/05/42/265800542.db2.gz HHUIYSASUYFXJC-GOSISDBHSA-N 1 3 338.455 2.477 20 30 EEEDHO CCN1CCN(CCCC[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281663211 266149141 /nfs/dbraw/zinc/14/91/41/266149141.db2.gz LACGYGJWTUSMJU-UHFFFAOYSA-N 1 3 330.476 2.074 20 30 EEEDHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000288520758 267088909 /nfs/dbraw/zinc/08/89/09/267088909.db2.gz TZINULPQSKKDNH-LZQZEXGQSA-N 1 3 336.439 2.326 20 30 EEEDHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388476 278349781 /nfs/dbraw/zinc/34/97/81/278349781.db2.gz MTJYXPFQLRJJFZ-IUODEOHRSA-N 1 3 326.366 2.045 20 30 EEEDHO O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000328909835 465164848 /nfs/dbraw/zinc/16/48/48/465164848.db2.gz NBSFFDXEUZARLW-QAPCUYQASA-N 1 3 334.464 2.057 20 30 EEEDHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279891418 464163495 /nfs/dbraw/zinc/16/34/95/464163495.db2.gz CZFQHOSWZTYBID-GBESFXJTSA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279891418 464163501 /nfs/dbraw/zinc/16/35/01/464163501.db2.gz CZFQHOSWZTYBID-GBESFXJTSA-N 1 3 336.439 2.183 20 30 EEEDHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCCCC1 ZINC000190536516 464670033 /nfs/dbraw/zinc/67/00/33/464670033.db2.gz VTEVYWBPXJJREJ-GOSISDBHSA-N 1 3 330.476 2.078 20 30 EEEDHO C=CCN1CC[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000352429761 465527594 /nfs/dbraw/zinc/52/75/94/465527594.db2.gz BXARFBQXSRGOLQ-AABGKKOBSA-N 1 3 339.483 2.227 20 30 EEEDHO C=CCN1CC[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC000352429761 465527599 /nfs/dbraw/zinc/52/75/99/465527599.db2.gz BXARFBQXSRGOLQ-AABGKKOBSA-N 1 3 339.483 2.227 20 30 EEEDHO CC(C)C[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418449251 467113102 /nfs/dbraw/zinc/11/31/02/467113102.db2.gz SMGFMPLHFXRBHI-GOSISDBHSA-N 1 3 345.491 2.005 20 30 EEEDHO C[NH+](C)CC[C@H](NC[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722501 468635454 /nfs/dbraw/zinc/63/54/54/468635454.db2.gz GLHRFAQADFIDMU-AEFFLSMTSA-N 1 3 333.476 2.254 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000602554406 469358944 /nfs/dbraw/zinc/35/89/44/469358944.db2.gz YKNHEMCLEVVUKC-SJORKVTESA-N 1 3 335.492 2.176 20 30 EEEDHO CCOCCCNC(=[NH2+])NCC1CCN(Cc2cccs2)CC1 ZINC000104180818 528658921 /nfs/dbraw/zinc/65/89/21/528658921.db2.gz VUGOMAWCPLQFGC-UHFFFAOYSA-N 1 3 338.521 2.291 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC000970791838 676154049 /nfs/dbraw/zinc/15/40/49/676154049.db2.gz AESHVGANJOQQKJ-GOSISDBHSA-N 1 3 345.512 2.092 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC001021089195 675715229 /nfs/dbraw/zinc/71/52/29/675715229.db2.gz AYUWTDPDROJVOL-HKUYMTLNSA-N 1 3 343.515 2.005 20 30 EEEDHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001021740985 676399847 /nfs/dbraw/zinc/39/98/47/676399847.db2.gz XVFPGAZSTOOCHI-UXHICEINSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696400 679486886 /nfs/dbraw/zinc/48/68/86/679486886.db2.gz MFUQEFKOWFGRAN-OALUTQOASA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2CCCC)C1 ZINC001023696400 679486888 /nfs/dbraw/zinc/48/68/88/679486888.db2.gz MFUQEFKOWFGRAN-OALUTQOASA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001024811864 681463745 /nfs/dbraw/zinc/46/37/45/681463745.db2.gz CFYWSLCHWSSLFO-SJLPKXTDSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001024811864 681463748 /nfs/dbraw/zinc/46/37/48/681463748.db2.gz CFYWSLCHWSSLFO-SJLPKXTDSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245057 682324187 /nfs/dbraw/zinc/32/41/87/682324187.db2.gz ZJIGHCILSVGNON-MOPGFXCFSA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)CC1 ZINC001026609405 684787215 /nfs/dbraw/zinc/78/72/15/684787215.db2.gz GZAMBQYSFWEJBF-UHFFFAOYSA-N 1 3 331.504 2.149 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1Cl ZINC000305062764 687038793 /nfs/dbraw/zinc/03/87/93/687038793.db2.gz KGKACEIZHKKGQL-BBRMVZONSA-N 1 3 338.883 2.416 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027461713 692202734 /nfs/dbraw/zinc/20/27/34/692202734.db2.gz NWHHXCLKWZSBRC-RBUKOAKNSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027461713 692202739 /nfs/dbraw/zinc/20/27/39/692202739.db2.gz NWHHXCLKWZSBRC-RBUKOAKNSA-N 1 3 342.487 2.321 20 30 EEEDHO C#CCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977646018 692874890 /nfs/dbraw/zinc/87/48/90/692874890.db2.gz VPCBECBPTDRVOK-SFHVURJKSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977646018 692874892 /nfs/dbraw/zinc/87/48/92/692874892.db2.gz VPCBECBPTDRVOK-SFHVURJKSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028769 1193333447 /nfs/dbraw/zinc/33/34/47/1193333447.db2.gz MSSWCPFFPASDEU-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028769 1193333448 /nfs/dbraw/zinc/33/34/48/1193333448.db2.gz MSSWCPFFPASDEU-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105574844 1188189041 /nfs/dbraw/zinc/18/90/41/1188189041.db2.gz JUEHDOYZNGSKGH-SFHVURJKSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248902 1195982584 /nfs/dbraw/zinc/98/25/84/1195982584.db2.gz HEWVHHVJRSHNAM-HKUYNNGSSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248902 1195982586 /nfs/dbraw/zinc/98/25/86/1195982586.db2.gz HEWVHHVJRSHNAM-HKUYNNGSSA-N 1 3 331.504 2.387 20 30 EEEDHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001410393535 1197794774 /nfs/dbraw/zinc/79/47/74/1197794774.db2.gz VGVFVRJVZLBFAK-CYBMUJFWSA-N 1 3 334.489 2.041 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584805 1199674220 /nfs/dbraw/zinc/67/42/20/1199674220.db2.gz XITHXFPSSBSRPD-STQMWFEESA-N 1 3 346.313 2.252 20 30 EEEDHO C[NH+]1CCC(CNC(=O)[C@H](N)CCCCC#N)(c2ccccc2)CC1 ZINC000877224079 1199883760 /nfs/dbraw/zinc/88/37/60/1199883760.db2.gz DAYNCRFMZVBFNK-GOSISDBHSA-N 1 3 342.487 2.177 20 30 EEEDHO C#CCCOc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877747641 1200072322 /nfs/dbraw/zinc/07/23/22/1200072322.db2.gz VTNZRLSVOBRSQN-UHFFFAOYSA-N 1 3 341.499 2.301 20 30 EEEDHO CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133342886 1200767978 /nfs/dbraw/zinc/76/79/78/1200767978.db2.gz UAKVNUVIVMWIHW-IEBWSBKVSA-N 1 3 341.499 2.459 20 30 EEEDHO N#Cc1cccc(CN2CCC(N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)c1 ZINC000925701855 1206144861 /nfs/dbraw/zinc/14/48/61/1206144861.db2.gz HDCKWXFAKHTYLU-SQEGATDGSA-N 1 3 336.483 2.109 20 30 EEEDHO C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190537888 1209907035 /nfs/dbraw/zinc/90/70/35/1209907035.db2.gz RTOBWJWXLNUXOU-HKUYNNGSSA-N 1 3 344.503 2.324 20 30 EEEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)CC1 ZINC000303877536 1213917652 /nfs/dbraw/zinc/91/76/52/1213917652.db2.gz FLPLPBCYRPEXOE-UHFFFAOYSA-N 1 3 343.519 2.029 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]Cc3ccccc3)C2)CC1 ZINC000962809777 1216107912 /nfs/dbraw/zinc/10/79/12/1216107912.db2.gz ULHZETYLNPBDQU-UHFFFAOYSA-N 1 3 339.483 2.016 20 30 EEEDHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000962308112 1217605753 /nfs/dbraw/zinc/60/57/53/1217605753.db2.gz ZJTOSYBPWCNTDW-MNNVXMFVSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCCC)CC3)CC1 ZINC001016987164 1227016222 /nfs/dbraw/zinc/01/62/22/1227016222.db2.gz WSESQILHAAJBBT-GOSISDBHSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207380 1231103343 /nfs/dbraw/zinc/10/33/43/1231103343.db2.gz FPVOCXXFDBERSP-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001040272908 1231144084 /nfs/dbraw/zinc/14/40/84/1231144084.db2.gz ACIUHBUVTBJLLV-QUCCMNQESA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001040272908 1231144086 /nfs/dbraw/zinc/14/40/86/1231144086.db2.gz ACIUHBUVTBJLLV-QUCCMNQESA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045957830 1234230480 /nfs/dbraw/zinc/23/04/80/1234230480.db2.gz GKOZYODKMDYZNL-FQEVSTJZSA-N 1 3 331.504 2.199 20 30 EEEDHO C=C(C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259936 1235766619 /nfs/dbraw/zinc/76/66/19/1235766619.db2.gz VMJYBCRPZJEJSV-KRWDZBQOSA-N 1 3 330.476 2.479 20 30 EEEDHO C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308990 1237291335 /nfs/dbraw/zinc/29/13/35/1237291335.db2.gz GTBROLSOHXFAQY-QYZOEREBSA-N 1 3 331.504 2.406 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001000188642 1240042932 /nfs/dbraw/zinc/04/29/32/1240042932.db2.gz BRYGJKZNYXCBAX-APWZRJJASA-N 1 3 340.471 2.123 20 30 EEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001049837261 1242367996 /nfs/dbraw/zinc/36/79/96/1242367996.db2.gz ANXWYKWKHBCUSW-RBUKOAKNSA-N 1 3 331.504 2.360 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(=C)C)CC1 ZINC001096607893 1242790520 /nfs/dbraw/zinc/79/05/20/1242790520.db2.gz MFQJGSIIXIUUGE-QYZOEREBSA-N 1 3 329.488 2.019 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(=C)C)CC1 ZINC001096607893 1242790527 /nfs/dbraw/zinc/79/05/27/1242790527.db2.gz MFQJGSIIXIUUGE-QYZOEREBSA-N 1 3 329.488 2.019 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050158223 1243006163 /nfs/dbraw/zinc/00/61/63/1243006163.db2.gz QGZIZEBAHYIGTG-GBESFXJTSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050158223 1243006168 /nfs/dbraw/zinc/00/61/68/1243006168.db2.gz QGZIZEBAHYIGTG-GBESFXJTSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCN1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)CC1 ZINC001050764255 1244315594 /nfs/dbraw/zinc/31/55/94/1244315594.db2.gz BCKRIVAGFPFVLN-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001053095759 1245893274 /nfs/dbraw/zinc/89/32/74/1245893274.db2.gz KXQBFMHFSDOGLQ-MOPGFXCFSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C[NH+](C)C)C2 ZINC001054243783 1247854709 /nfs/dbraw/zinc/85/47/09/1247854709.db2.gz OBTCXYKKFMRHDO-NRFANRHFSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054245000 1247860173 /nfs/dbraw/zinc/86/01/73/1247860173.db2.gz MNBNVPHEBSSGRD-TZIWHRDSSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001054245197 1247863285 /nfs/dbraw/zinc/86/32/85/1247863285.db2.gz PSOCHMXPMYGUNE-CTNGQTDRSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001072983391 1255547435 /nfs/dbraw/zinc/54/74/35/1255547435.db2.gz UZBJCKMESYJJRQ-LJQANCHMSA-N 1 3 337.483 2.309 20 30 EEEDHO C=CCC[N@H+]1CCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001072983391 1255547432 /nfs/dbraw/zinc/54/74/32/1255547432.db2.gz UZBJCKMESYJJRQ-LJQANCHMSA-N 1 3 337.483 2.309 20 30 EEEDHO C=CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001099583409 1258227049 /nfs/dbraw/zinc/22/70/49/1258227049.db2.gz QVPRUURFGIXETN-ROUUACIJSA-N 1 3 349.519 2.034 20 30 EEEDHO C=CCN1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001099583409 1258227055 /nfs/dbraw/zinc/22/70/55/1258227055.db2.gz QVPRUURFGIXETN-ROUUACIJSA-N 1 3 349.519 2.034 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001185659259 1278734446 /nfs/dbraw/zinc/73/44/46/1278734446.db2.gz FWKCHLDCPFTOOH-CRAIPNDOSA-N 1 3 325.472 2.356 20 30 EEEDHO C=CCOCC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203887497 1284880640 /nfs/dbraw/zinc/88/06/40/1284880640.db2.gz CRJBQCGHLLKRMS-UHFFFAOYSA-N 1 3 345.487 2.145 20 30 EEEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001215001684 1296686009 /nfs/dbraw/zinc/68/60/09/1296686009.db2.gz OIIBVJWNFHJHTB-CRAIPNDOSA-N 1 3 342.487 2.225 20 30 EEEDHO C[C@H](C(=O)Nc1sc2c(c1C#N)CCNC2)[C@H]1CC[NH2+][C@H](C)C1 ZINC001218552283 1297708693 /nfs/dbraw/zinc/70/86/93/1297708693.db2.gz DIVHGWUMFSAQDH-WOPDTQHZSA-N 1 3 332.473 2.228 20 30 EEEDHO CCCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N(C)CC)[C@@H](O)C1 ZINC001099899547 1299472847 /nfs/dbraw/zinc/47/28/47/1299472847.db2.gz VHLWFEJKMLUSRB-IRXDYDNUSA-N 1 3 341.540 2.239 20 30 EEEDHO CCCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N(C)CC)[C@@H](O)C1 ZINC001099899547 1299472854 /nfs/dbraw/zinc/47/28/54/1299472854.db2.gz VHLWFEJKMLUSRB-IRXDYDNUSA-N 1 3 341.540 2.239 20 30 EEEDHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)N(C)C ZINC001102377340 1300956606 /nfs/dbraw/zinc/95/66/06/1300956606.db2.gz ZZONHONWEOMPMQ-LZQZEXGQSA-N 1 3 342.487 2.083 20 30 EEEDHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)N(C)C ZINC001102377340 1300956611 /nfs/dbraw/zinc/95/66/11/1300956611.db2.gz ZZONHONWEOMPMQ-LZQZEXGQSA-N 1 3 342.487 2.083 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC001226613851 1301480376 /nfs/dbraw/zinc/48/03/76/1301480376.db2.gz LYBJMGKJQYHCTJ-KZNAEPCWSA-N 1 3 337.508 2.080 20 30 EEEDHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)N(C)C ZINC001228646339 1302358092 /nfs/dbraw/zinc/35/80/92/1302358092.db2.gz DRZIEJAJPWEXKE-AQNXPRMDSA-N 1 3 341.499 2.395 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120401640 1309512704 /nfs/dbraw/zinc/51/27/04/1309512704.db2.gz KQAKQVDEUPZMGN-QZTJIDSGSA-N 1 3 333.520 2.443 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120401640 1309512709 /nfs/dbraw/zinc/51/27/09/1309512709.db2.gz KQAKQVDEUPZMGN-QZTJIDSGSA-N 1 3 333.520 2.443 20 30 EEEDHO C=CCC[C@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246410302 1310302919 /nfs/dbraw/zinc/30/29/19/1310302919.db2.gz IESFPMNQVVXOOB-BHJSCHTGSA-N 1 3 340.508 2.233 20 30 EEEDHO C[NH2+]CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C(C)(C)C 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C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667293 796822209 /nfs/dbraw/zinc/82/22/09/796822209.db2.gz BCOGCQQZZGXCFV-CABCVRRESA-N 1 3 337.895 2.384 20 30 EEEDHO C#CCC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001002157756 797641050 /nfs/dbraw/zinc/64/10/50/797641050.db2.gz LLVMCGAUPOWOAN-UHFFFAOYSA-N 1 3 327.472 2.213 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545571 798267793 /nfs/dbraw/zinc/26/77/93/798267793.db2.gz OYTCHEWDOJGMLE-QRVBRYPASA-N 1 3 331.504 2.360 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545571 798267797 /nfs/dbraw/zinc/26/77/97/798267797.db2.gz OYTCHEWDOJGMLE-QRVBRYPASA-N 1 3 331.504 2.360 20 30 EEEDHO N#Cc1ccc(CNCCCNC(=O)CCC[NH+]2CCCC2)c(F)c1 ZINC001176884913 798613115 /nfs/dbraw/zinc/61/31/15/798613115.db2.gz VMHJEWKTGILBJU-UHFFFAOYSA-N 1 3 346.450 2.169 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586124 806698306 /nfs/dbraw/zinc/69/83/06/806698306.db2.gz IXCVOGMYCZCBBZ-RDJZCZTQSA-N 1 3 327.900 2.297 20 30 EEEDHO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001085332356 800372111 /nfs/dbraw/zinc/37/21/11/800372111.db2.gz UKHYZOBXLHSCAB-IIDMSEBBSA-N 1 3 325.472 2.402 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543365 802338570 /nfs/dbraw/zinc/33/85/70/802338570.db2.gz OVXGJUJMGBKAHO-LJQANCHMSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004543365 802338578 /nfs/dbraw/zinc/33/85/78/802338578.db2.gz OVXGJUJMGBKAHO-LJQANCHMSA-N 1 3 345.531 2.445 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086624115 810935953 /nfs/dbraw/zinc/93/59/53/810935953.db2.gz NWCYSRAQJHMAGQ-GBESFXJTSA-N 1 3 327.472 2.098 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086624115 810935961 /nfs/dbraw/zinc/93/59/61/810935961.db2.gz NWCYSRAQJHMAGQ-GBESFXJTSA-N 1 3 327.472 2.098 20 30 EEEDHO C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN(C)CC(C)(C)C ZINC001439156178 1091800041 /nfs/dbraw/zinc/80/00/41/1091800041.db2.gz ZFCZHPOUFIKISD-CQSZACIVSA-N 1 3 348.466 2.270 20 30 EEEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001444305713 1098862909 /nfs/dbraw/zinc/86/29/09/1098862909.db2.gz GDRYKBJPLMAXDE-VQIMIIECSA-N 1 3 342.487 2.273 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001444305713 1098862921 /nfs/dbraw/zinc/86/29/21/1098862921.db2.gz GDRYKBJPLMAXDE-VQIMIIECSA-N 1 3 342.487 2.273 20 30 EEEDHO C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498329796 1107307182 /nfs/dbraw/zinc/30/71/82/1107307182.db2.gz LIQNSCKQGQPPTO-INIZCTEOSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000491676761 533102292 /nfs/dbraw/zinc/10/22/92/533102292.db2.gz PDVFXUBWDDDVJN-LJQANCHMSA-N 1 3 348.535 2.095 20 30 EEEDHO C#CCN1CCC(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)CC1 ZINC000491474195 533147125 /nfs/dbraw/zinc/14/71/25/533147125.db2.gz KTMOFMGUQFGUGA-LJQANCHMSA-N 1 3 339.483 2.241 20 30 EEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171724257 463913685 /nfs/dbraw/zinc/91/36/85/463913685.db2.gz QWXAMRPWJNJPED-IXDOHACOSA-N 1 3 336.524 2.302 20 30 EEEDHO C=CCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171724257 463913689 /nfs/dbraw/zinc/91/36/89/463913689.db2.gz QWXAMRPWJNJPED-IXDOHACOSA-N 1 3 336.524 2.302 20 30 EEEDHO C#Cc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000290226190 464111142 /nfs/dbraw/zinc/11/11/42/464111142.db2.gz FMPHWYDIHSJEBB-UHFFFAOYSA-N 1 3 335.451 2.249 20 30 EEEDHO CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000280564396 464218154 /nfs/dbraw/zinc/21/81/54/464218154.db2.gz KVKOBKZLAISKDM-RYQLBKOJSA-N 1 3 330.476 2.330 20 30 EEEDHO CCN(CC)C(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000264088774 464282347 /nfs/dbraw/zinc/28/23/47/464282347.db2.gz KGJXTUBPHVYDMP-GOSISDBHSA-N 1 3 331.508 2.022 20 30 EEEDHO CNC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000264132731 464286340 /nfs/dbraw/zinc/28/63/40/464286340.db2.gz YJUBHAKJAXHVJT-UHFFFAOYSA-N 1 3 337.471 2.043 20 30 EEEDHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000281456265 464460927 /nfs/dbraw/zinc/46/09/27/464460927.db2.gz FYNASECKHITYRY-CEXWTWQISA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000281456265 464460934 /nfs/dbraw/zinc/46/09/34/464460934.db2.gz FYNASECKHITYRY-CEXWTWQISA-N 1 3 336.439 2.183 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000358777585 465317267 /nfs/dbraw/zinc/31/72/67/465317267.db2.gz AHZCJCVLUIJFRH-IAGOWNOFSA-N 1 3 336.524 2.304 20 30 EEEDHO C[NH+]1CCC([C@@H]2CCN(C([O-])=[NH+]C[C@H]3CCc4nccn4C3)C2)CC1 ZINC000329936130 465479519 /nfs/dbraw/zinc/47/95/19/465479519.db2.gz CWIGFLVQRXZFBG-NVXWUHKLSA-N 1 3 345.491 2.023 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])C(C)C ZINC000417068573 466770075 /nfs/dbraw/zinc/77/00/75/466770075.db2.gz SLAJJLWIDHVPAK-RCCFBDPRSA-N 1 3 336.524 2.454 20 30 EEEDHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424156733 466992164 /nfs/dbraw/zinc/99/21/64/466992164.db2.gz ORWDHFYAXAANHL-LJQANCHMSA-N 1 3 342.487 2.378 20 30 EEEDHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424156733 466992167 /nfs/dbraw/zinc/99/21/67/466992167.db2.gz ORWDHFYAXAANHL-LJQANCHMSA-N 1 3 342.487 2.378 20 30 EEEDHO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)CN1CCCCC1 ZINC000600717532 468632007 /nfs/dbraw/zinc/63/20/07/468632007.db2.gz BNZOHLNCDKSBIO-WMZOPIPTSA-N 1 3 331.460 2.010 20 30 EEEDHO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000592260332 468666826 /nfs/dbraw/zinc/66/68/26/468666826.db2.gz XDIIYUIKTHCWFZ-MSOLQXFVSA-N 1 3 328.460 2.351 20 30 EEEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000598721120 468973713 /nfs/dbraw/zinc/97/37/13/468973713.db2.gz SLHPQFCULYMEST-RBUKOAKNSA-N 1 3 329.488 2.441 20 30 EEEDHO CC(C)(C#N)C[C@@H](O)CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000598721120 468973715 /nfs/dbraw/zinc/97/37/15/468973715.db2.gz SLHPQFCULYMEST-RBUKOAKNSA-N 1 3 329.488 2.441 20 30 EEEDHO CC(C)(C#N)C[C@@H](O)CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000598721120 468973718 /nfs/dbraw/zinc/97/37/18/468973718.db2.gz SLHPQFCULYMEST-RBUKOAKNSA-N 1 3 329.488 2.441 20 30 EEEDHO C#CCC[NH+]1CCC(NC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000751148588 577748576 /nfs/dbraw/zinc/74/85/76/577748576.db2.gz XNGPBVDFQMZIMU-UHFFFAOYSA-N 1 3 328.460 2.357 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039211525 676141025 /nfs/dbraw/zinc/14/10/25/676141025.db2.gz BEYSJGMRGBJTHO-IEBWSBKVSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039211525 676141026 /nfs/dbraw/zinc/14/10/26/676141026.db2.gz BEYSJGMRGBJTHO-IEBWSBKVSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039135200 675636367 /nfs/dbraw/zinc/63/63/67/675636367.db2.gz YXOGTNAADVQYPV-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039135200 675636368 /nfs/dbraw/zinc/63/63/68/675636368.db2.gz YXOGTNAADVQYPV-SFHVURJKSA-N 1 3 331.504 2.055 20 30 EEEDHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001026886318 685261576 /nfs/dbraw/zinc/26/15/76/685261576.db2.gz VGEMQRNESLLIEL-CQSZACIVSA-N 1 3 346.500 2.042 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000982831790 681352880 /nfs/dbraw/zinc/35/28/80/681352880.db2.gz REEUUUPQINVOGS-BGYRXZFFSA-N 1 3 331.504 2.056 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001024901627 681561578 /nfs/dbraw/zinc/56/15/78/681561578.db2.gz YNQIGGAZMCRPLS-PBHICJAKSA-N 1 3 346.500 2.185 20 30 EEEDHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001024998999 681698020 /nfs/dbraw/zinc/69/80/20/681698020.db2.gz NYEQGRGQHVHDMO-RTBURBONSA-N 1 3 342.487 2.369 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001029004305 682650259 /nfs/dbraw/zinc/65/02/59/682650259.db2.gz VIFWCNOLPFOULJ-LJQANCHMSA-N 1 3 343.515 2.270 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001029004305 682650260 /nfs/dbraw/zinc/65/02/60/682650260.db2.gz VIFWCNOLPFOULJ-LJQANCHMSA-N 1 3 343.515 2.270 20 30 EEEDHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001027042467 685734434 /nfs/dbraw/zinc/73/44/34/685734434.db2.gz GCBLLTXSTZTAFB-RTBURBONSA-N 1 3 342.487 2.083 20 30 EEEDHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353846 688503853 /nfs/dbraw/zinc/50/38/53/688503853.db2.gz JPKAMCJKXMMZKD-BEFAXECRSA-N 1 3 340.471 2.122 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCCC1 ZINC000264098835 691482260 /nfs/dbraw/zinc/48/22/60/691482260.db2.gz MNJLOHOJWUVWMD-HZPDHXFCSA-N 1 3 349.548 2.274 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CCC(=C)C)CC2)CC1 ZINC001168307940 1188279108 /nfs/dbraw/zinc/27/91/08/1188279108.db2.gz NKJSDFJGTGERIN-UHFFFAOYSA-N 1 3 331.504 2.174 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001483950825 1191129311 /nfs/dbraw/zinc/12/93/11/1191129311.db2.gz SKHOBSISGBLPCA-AWEZNQCLSA-N 1 3 334.489 2.042 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC001483950825 1191129312 /nfs/dbraw/zinc/12/93/12/1191129312.db2.gz SKHOBSISGBLPCA-AWEZNQCLSA-N 1 3 334.489 2.042 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)CC1 ZINC001034538576 1196361607 /nfs/dbraw/zinc/36/16/07/1196361607.db2.gz PXUXJEHNLBNEGV-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001034538576 1196361611 /nfs/dbraw/zinc/36/16/11/1196361611.db2.gz PXUXJEHNLBNEGV-HXUWFJFHSA-N 1 3 345.531 2.493 20 30 EEEDHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1C#N)NC(=O)C1(N(C)C)CCC1 ZINC001134584235 1199673434 /nfs/dbraw/zinc/67/34/34/1199673434.db2.gz SBTRFGANHNITRT-JKSUJKDBSA-N 1 3 342.487 2.415 20 30 EEEDHO C=CCOCCN1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525748 1199822077 /nfs/dbraw/zinc/82/20/77/1199822077.db2.gz UZRAASFHHGXNGZ-ROUUACIJSA-N 1 3 337.508 2.034 20 30 EEEDHO CC[C@H](C(=O)NCCNCc1ccc(F)c(C#N)c1)[NH+](CC)CC ZINC001133685225 1201198269 /nfs/dbraw/zinc/19/82/69/1201198269.db2.gz QWVDLEMWAWOJCQ-QGZVFWFLSA-N 1 3 334.439 2.024 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCn1ccc2ccccc21 ZINC000303778323 1213905431 /nfs/dbraw/zinc/90/54/31/1213905431.db2.gz JMFBSLPIEIUONH-KRWDZBQOSA-N 1 3 327.476 2.420 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COCc1ccccc1 ZINC000303876275 1213917621 /nfs/dbraw/zinc/91/76/21/1213917621.db2.gz IBFWFPXRWLEZTC-SJLPKXTDSA-N 1 3 332.492 2.228 20 30 EEEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733726 1225604692 /nfs/dbraw/zinc/60/46/92/1225604692.db2.gz VODBQYHJSQVURX-QRVBRYPASA-N 1 3 327.472 2.098 20 30 EEEDHO C=C(C)CN1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733726 1225604696 /nfs/dbraw/zinc/60/46/96/1225604696.db2.gz VODBQYHJSQVURX-QRVBRYPASA-N 1 3 327.472 2.098 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357820 1217552625 /nfs/dbraw/zinc/55/26/25/1217552625.db2.gz AGKNTCVXSBPHFO-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963357820 1217552626 /nfs/dbraw/zinc/55/26/26/1217552626.db2.gz AGKNTCVXSBPHFO-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016860994 1226928287 /nfs/dbraw/zinc/92/82/87/1226928287.db2.gz MDZJNILNUDTGFA-MSOLQXFVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016984379 1227013946 /nfs/dbraw/zinc/01/39/46/1227013946.db2.gz YKUFEXCIIGNAEP-IBGZPJMESA-N 1 3 339.483 2.356 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182171 1230409563 /nfs/dbraw/zinc/40/95/63/1230409563.db2.gz KHGPJPLTWBEDLC-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039182171 1230409565 /nfs/dbraw/zinc/40/95/65/1230409565.db2.gz KHGPJPLTWBEDLC-WOJBJXKFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040542714 1231284156 /nfs/dbraw/zinc/28/41/56/1231284156.db2.gz CUDZTFTVDOGUMP-TZIWHRDSSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942844 1234201572 /nfs/dbraw/zinc/20/15/72/1234201572.db2.gz BEIHJXMOMTVGCD-ICSRJNTNSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045942844 1234201574 /nfs/dbraw/zinc/20/15/74/1234201574.db2.gz BEIHJXMOMTVGCD-ICSRJNTNSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048525657 1237863200 /nfs/dbraw/zinc/86/32/00/1237863200.db2.gz DBOIUFBSQUEDCI-FCGDIQPGSA-N 1 3 331.504 2.242 20 30 EEEDHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048525657 1237863209 /nfs/dbraw/zinc/86/32/09/1237863209.db2.gz DBOIUFBSQUEDCI-FCGDIQPGSA-N 1 3 331.504 2.242 20 30 EEEDHO C=CCN1C[C@@H]2CCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001050181983 1243064337 /nfs/dbraw/zinc/06/43/37/1243064337.db2.gz NTLFXZUAAQGVDY-RBUKOAKNSA-N 1 3 331.504 2.217 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207427 1243122813 /nfs/dbraw/zinc/12/28/13/1243122813.db2.gz QLILVBCYXGNKHP-VQTJNVASSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207427 1243122818 /nfs/dbraw/zinc/12/28/18/1243122818.db2.gz QLILVBCYXGNKHP-VQTJNVASSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CCN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857833 1245397167 /nfs/dbraw/zinc/39/71/67/1245397167.db2.gz VIVNQVSBTIRIEQ-LJQANCHMSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCC[N@H+]1Cc2ccc(CNC(=O)c3cnccc3N(C)C)cc2C1 ZINC001054290903 1248025036 /nfs/dbraw/zinc/02/50/36/1248025036.db2.gz ZXOHMBPQFPYJPV-UHFFFAOYSA-N 1 3 348.450 2.417 20 30 EEEDHO C#CCC[N@@H+]1Cc2ccc(CNC(=O)c3cnccc3N(C)C)cc2C1 ZINC001054290903 1248025038 /nfs/dbraw/zinc/02/50/38/1248025038.db2.gz ZXOHMBPQFPYJPV-UHFFFAOYSA-N 1 3 348.450 2.417 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098958850 1257878200 /nfs/dbraw/zinc/87/82/00/1257878200.db2.gz CVTNIUMQGJRLPU-BJLQDIEVSA-N 1 3 331.504 2.408 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001098958850 1257878213 /nfs/dbraw/zinc/87/82/13/1257878213.db2.gz CVTNIUMQGJRLPU-BJLQDIEVSA-N 1 3 331.504 2.408 20 30 EEEDHO C[NH+](C)CCCCC(=O)NCC1CC(NCC#Cc2ccccc2)C1 ZINC001100890194 1259399159 /nfs/dbraw/zinc/39/91/59/1259399159.db2.gz PYPRILKKKISXAD-UHFFFAOYSA-N 1 3 341.499 2.254 20 30 EEEDHO C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655903 1280997761 /nfs/dbraw/zinc/99/77/61/1280997761.db2.gz QYLMNARSBOUPHJ-RTBURBONSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCOCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655903 1280997762 /nfs/dbraw/zinc/99/77/62/1280997762.db2.gz QYLMNARSBOUPHJ-RTBURBONSA-N 1 3 349.519 2.129 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001198236548 1285046731 /nfs/dbraw/zinc/04/67/31/1285046731.db2.gz OFYRGZNDLOYBSP-AATRIKPKSA-N 1 3 331.504 2.222 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001198236548 1285046742 /nfs/dbraw/zinc/04/67/42/1285046742.db2.gz OFYRGZNDLOYBSP-AATRIKPKSA-N 1 3 331.504 2.222 20 30 EEEDHO C=CCCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198740352 1285312352 /nfs/dbraw/zinc/31/23/52/1285312352.db2.gz CVJLDQBGONSXOL-JFIYKMOQSA-N 1 3 345.487 2.358 20 30 EEEDHO C=CCCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198740352 1285312355 /nfs/dbraw/zinc/31/23/55/1285312355.db2.gz CVJLDQBGONSXOL-JFIYKMOQSA-N 1 3 345.487 2.358 20 30 EEEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250849 1295779001 /nfs/dbraw/zinc/77/90/01/1295779001.db2.gz WXWXGKFGWCNQQT-SFHVURJKSA-N 1 3 345.487 2.145 20 30 EEEDHO C=CCCCCCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213765162 1296162900 /nfs/dbraw/zinc/16/29/00/1296162900.db2.gz WWEJMWPGFITRKA-QZTJIDSGSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCCCCCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213765162 1296162904 /nfs/dbraw/zinc/16/29/04/1296162904.db2.gz WWEJMWPGFITRKA-QZTJIDSGSA-N 1 3 339.524 2.280 20 30 EEEDHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000863552379 1296331908 /nfs/dbraw/zinc/33/19/08/1296331908.db2.gz ZBMWFNFGXGGIRZ-KRWDZBQOSA-N 1 3 331.460 2.150 20 30 EEEDHO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073454885 1297079879 /nfs/dbraw/zinc/07/98/79/1297079879.db2.gz UCUMOSFWMWJJKE-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001073454885 1297079896 /nfs/dbraw/zinc/07/98/96/1297079896.db2.gz UCUMOSFWMWJJKE-UHFFFAOYSA-N 1 3 327.472 2.472 20 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/nfs/dbraw/zinc/49/86/32/1303498632.db2.gz XQJGSIHRDJJNBJ-SFHVURJKSA-N 1 3 344.503 2.450 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC001152323907 1316657296 /nfs/dbraw/zinc/65/72/96/1316657296.db2.gz HFKPLGZXRKKYOD-UHFFFAOYSA-N 1 3 349.425 2.175 20 30 EEEDHO C[NH+](C)Cc1ccccc1C(=O)NCCNCc1ccc(C#N)s1 ZINC001152393255 1316667137 /nfs/dbraw/zinc/66/71/37/1316667137.db2.gz JUZPQMKGXHQWDL-UHFFFAOYSA-N 1 3 342.468 2.201 20 30 EEEDHO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824562 1316893639 /nfs/dbraw/zinc/89/36/39/1316893639.db2.gz UEUPHUKDMXTOIR-DNVCBOLYSA-N 1 3 342.487 2.225 20 30 EEEDHO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)[C@@H](C1CC1)N(C)C ZINC001153824562 1316893642 /nfs/dbraw/zinc/89/36/42/1316893642.db2.gz UEUPHUKDMXTOIR-DNVCBOLYSA-N 1 3 342.487 2.225 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131249 1320078056 /nfs/dbraw/zinc/07/80/56/1320078056.db2.gz IKEFZZLWYNHLNJ-RTBURBONSA-N 1 3 329.488 2.023 20 30 EEEDHO CC#CCN1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131249 1320078059 /nfs/dbraw/zinc/07/80/59/1320078059.db2.gz IKEFZZLWYNHLNJ-RTBURBONSA-N 1 3 329.488 2.023 20 30 EEEDHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001160421418 1320159761 /nfs/dbraw/zinc/15/97/61/1320159761.db2.gz QSIZQNHUPIZCOQ-SFHVURJKSA-N 1 3 349.906 2.374 20 30 EEEDHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001161649346 1320570092 /nfs/dbraw/zinc/57/00/92/1320570092.db2.gz DCDKPJNLKQYLNO-LJQANCHMSA-N 1 3 342.487 2.275 20 30 EEEDHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCCNCc1ccccc1C#N ZINC001161649346 1320570096 /nfs/dbraw/zinc/57/00/96/1320570096.db2.gz DCDKPJNLKQYLNO-LJQANCHMSA-N 1 3 342.487 2.275 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832091 1320970435 /nfs/dbraw/zinc/97/04/35/1320970435.db2.gz KHSCXHGRMHLMQM-UHFFFAOYSA-N 1 3 329.488 2.318 20 30 EEEDHO C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946437 1320993181 /nfs/dbraw/zinc/99/31/81/1320993181.db2.gz IWSFWSGJGLWHLS-UHFFFAOYSA-N 1 3 326.444 2.189 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001210751119 1325415771 /nfs/dbraw/zinc/41/57/71/1325415771.db2.gz TUZJPVIZFKXWJQ-HXUWFJFHSA-N 1 3 341.499 2.351 20 30 EEEDHO C#CCC[NH+]1CCC(NC[C@H](O)COc2ccc(SC)cc2)CC1 ZINC001338491696 1336868170 /nfs/dbraw/zinc/86/81/70/1336868170.db2.gz MJICUNQVOBNIRQ-KRWDZBQOSA-N 1 3 348.512 2.226 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001570093616 1343011402 /nfs/dbraw/zinc/01/14/02/1343011402.db2.gz LZSOIUWEDSOYHC-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001579454456 1344384245 /nfs/dbraw/zinc/38/42/45/1344384245.db2.gz DFSYKTQMPWHVAV-PBHICJAKSA-N 1 3 326.444 2.064 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099265669 1370995454 /nfs/dbraw/zinc/99/54/54/1370995454.db2.gz WMDHGLMGRUVHEA-MCIONIFRSA-N 1 3 335.414 2.128 20 30 EEEDHO CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C ZINC001368546347 1374431989 /nfs/dbraw/zinc/43/19/89/1374431989.db2.gz HGFIVFDVDKMKIU-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C ZINC001368546347 1374431992 /nfs/dbraw/zinc/43/19/92/1374431992.db2.gz HGFIVFDVDKMKIU-LJQANCHMSA-N 1 3 342.487 2.323 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001752921296 1406549214 /nfs/dbraw/zinc/54/92/14/1406549214.db2.gz PJNQJLBIEOWDHS-SJORKVTESA-N 1 3 327.472 2.187 20 30 EEEDHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001401718729 1397527344 /nfs/dbraw/zinc/52/73/44/1397527344.db2.gz FYPQARUCYCHWJU-AWEZNQCLSA-N 1 3 334.489 2.090 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001755271725 1407282299 /nfs/dbraw/zinc/28/22/99/1407282299.db2.gz VWNOKWVYVSTKIR-ZWKOTPCHSA-N 1 3 341.499 2.323 20 30 EEEDHO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](CC[NH3+])C1 ZINC001575048579 1403532327 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FOWZJKZOZAVJJB-RANZSIQMSA-N 1 3 328.460 2.087 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106909037 774700292 /nfs/dbraw/zinc/70/02/92/774700292.db2.gz BAMNWZLWCVDGLZ-UYAOXDASSA-N 1 3 341.499 2.064 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819015 776774122 /nfs/dbraw/zinc/77/41/22/776774122.db2.gz DKISGFVIKRKAMX-AITUJVMLSA-N 1 3 331.504 2.216 20 30 EEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819015 776774126 /nfs/dbraw/zinc/77/41/26/776774126.db2.gz DKISGFVIKRKAMX-AITUJVMLSA-N 1 3 331.504 2.216 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296294 779606128 /nfs/dbraw/zinc/60/61/28/779606128.db2.gz OLHNGCSRFXJQNJ-RLLQIKCJSA-N 1 3 333.520 2.463 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296294 779606135 /nfs/dbraw/zinc/60/61/35/779606135.db2.gz OLHNGCSRFXJQNJ-RLLQIKCJSA-N 1 3 333.520 2.463 20 30 EEEDHO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260188 784215678 /nfs/dbraw/zinc/21/56/78/784215678.db2.gz RUPHISFYBLQHPY-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260188 784215686 /nfs/dbraw/zinc/21/56/86/784215686.db2.gz RUPHISFYBLQHPY-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@@H+]1C ZINC000817290090 784632065 /nfs/dbraw/zinc/63/20/65/784632065.db2.gz GXRCHGNHRVECMQ-ZIAGYGMSSA-N 1 3 342.468 2.499 20 30 EEEDHO CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCC[N@H+]1C ZINC000817290090 784632071 /nfs/dbraw/zinc/63/20/71/784632071.db2.gz GXRCHGNHRVECMQ-ZIAGYGMSSA-N 1 3 342.468 2.499 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001135857323 784637653 /nfs/dbraw/zinc/63/76/53/784637653.db2.gz GTRXGEZLBDCXDK-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(F)ccc1C#N ZINC001135857323 784637656 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2.245 20 30 EEEDHO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146585544 791338029 /nfs/dbraw/zinc/33/80/29/791338029.db2.gz ZVBVURBFIBTVHG-DLBZAZTESA-N 1 3 347.503 2.437 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093373916 795107244 /nfs/dbraw/zinc/10/72/44/795107244.db2.gz UWPNXRCZZCHLST-QZTJIDSGSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093373916 795107250 /nfs/dbraw/zinc/10/72/50/795107250.db2.gz UWPNXRCZZCHLST-QZTJIDSGSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262279 798059236 /nfs/dbraw/zinc/05/92/36/798059236.db2.gz FGRLTOLFAAQOEP-MAUKXSAKSA-N 1 3 325.472 2.097 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492803 798090247 /nfs/dbraw/zinc/09/02/47/798090247.db2.gz BRELNFLENYIEGZ-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492803 798090253 /nfs/dbraw/zinc/09/02/53/798090253.db2.gz BRELNFLENYIEGZ-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001177320018 798858942 /nfs/dbraw/zinc/85/89/42/798858942.db2.gz YFCSNMHAEAFFTG-RBUKOAKNSA-N 1 3 349.519 2.034 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184411606 802024034 /nfs/dbraw/zinc/02/40/34/802024034.db2.gz FLJAJNCTKFVDCB-QZTJIDSGSA-N 1 3 333.520 2.348 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578220 802080301 /nfs/dbraw/zinc/08/03/01/802080301.db2.gz SJHYEZJNLFAANG-HIFRSBDPSA-N 1 3 327.900 2.297 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001086221519 802530444 /nfs/dbraw/zinc/53/04/44/802530444.db2.gz XKQFSLWSTLCDDT-FZKCQIBNSA-N 1 3 325.884 2.240 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086221519 802530448 /nfs/dbraw/zinc/53/04/48/802530448.db2.gz XKQFSLWSTLCDDT-FZKCQIBNSA-N 1 3 325.884 2.240 20 30 EEEDHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCCC1 ZINC001439282768 1091941896 /nfs/dbraw/zinc/94/18/96/1091941896.db2.gz NRVCYJCARYWWLO-HNNXBMFYSA-N 1 3 348.516 2.480 20 30 EEEDHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)N(C)C ZINC001447319649 1102440895 /nfs/dbraw/zinc/44/08/95/1102440895.db2.gz HTBDQZNGXSTAJC-OALUTQOASA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N(C)C ZINC001447319649 1102440899 /nfs/dbraw/zinc/44/08/99/1102440899.db2.gz HTBDQZNGXSTAJC-OALUTQOASA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001494995510 1104637690 /nfs/dbraw/zinc/63/76/90/1104637690.db2.gz VHVDTBKPIIUBNK-ZDUSSCGKSA-N 1 3 334.489 2.088 20 30 EEEDHO CCCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC001493314921 1107919321 /nfs/dbraw/zinc/91/93/21/1107919321.db2.gz XMRDHRQEFAFUDY-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO CC1CC[NH+](CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280085225 265990016 /nfs/dbraw/zinc/99/00/16/265990016.db2.gz WDGBHWWTAABSLF-LJQANCHMSA-N 1 3 338.455 2.479 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000170905727 463737768 /nfs/dbraw/zinc/73/77/68/463737768.db2.gz NSEKWGCEUHLAAF-GOSISDBHSA-N 1 3 329.492 2.175 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178903887 464008442 /nfs/dbraw/zinc/00/84/42/464008442.db2.gz PSDOLVUSVVRCIU-LPHOPBHVSA-N 1 3 346.519 2.295 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178903887 464008448 /nfs/dbraw/zinc/00/84/48/464008448.db2.gz PSDOLVUSVVRCIU-LPHOPBHVSA-N 1 3 346.519 2.295 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(F)F)c1 ZINC000264316343 464294523 /nfs/dbraw/zinc/29/45/23/464294523.db2.gz WIALSLZREVIZMX-AWEZNQCLSA-N 1 3 340.418 2.219 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1OC(F)F ZINC000267717106 464938849 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CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586112 683044454 /nfs/dbraw/zinc/04/44/54/683044454.db2.gz WECKVEHDDLOKNA-PKOBYXMFSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992931872 683662662 /nfs/dbraw/zinc/66/26/62/683662662.db2.gz XDYCNGUAWMTLCQ-DFQSSKMNSA-N 1 3 339.483 2.212 20 30 EEEDHO C=CCOC[C@H]1c2c(ncn2C)CCN1C1CCC([NH+](C)C)CC1 ZINC001168323121 1188292077 /nfs/dbraw/zinc/29/20/77/1188292077.db2.gz RKANSAYZRMFFDB-HTWSVDAQSA-N 1 3 332.492 2.395 20 30 EEEDHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001034957850 1196918720 /nfs/dbraw/zinc/91/87/20/1196918720.db2.gz LVRDPPZXNWYPBY-OAHLLOKOSA-N 1 3 346.500 2.185 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001134583420 1199672255 /nfs/dbraw/zinc/67/22/55/1199672255.db2.gz KFRNNIGADKFQSI-CVEARBPZSA-N 1 3 342.487 2.415 20 30 EEEDHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001134582988 1199672775 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EEEDHO CC1CC[NH+](CCCCNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000550153618 318447769 /nfs/dbraw/zinc/44/77/69/318447769.db2.gz WAHOLDOUMPTWTI-UHFFFAOYSA-N 1 3 326.448 2.203 20 30 EEEDHO C#CCN(C)CCCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000297460198 465257702 /nfs/dbraw/zinc/25/77/02/465257702.db2.gz MWCXQWBNSDTYQL-UHFFFAOYSA-N 1 3 344.503 2.283 20 30 EEEDHO CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000261978857 463916490 /nfs/dbraw/zinc/91/64/90/463916490.db2.gz OINGBXZBMLNLJA-HIFRSBDPSA-N 1 3 348.520 2.180 20 30 EEEDHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279891421 464162916 /nfs/dbraw/zinc/16/29/16/464162916.db2.gz CZFQHOSWZTYBID-IPMKNSEASA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279891421 464162922 /nfs/dbraw/zinc/16/29/22/464162922.db2.gz CZFQHOSWZTYBID-IPMKNSEASA-N 1 3 336.439 2.183 20 30 EEEDHO CCCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1OC ZINC000264133322 464286701 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1317918287 /nfs/dbraw/zinc/91/82/87/1317918287.db2.gz WKTMEANQVGJJCB-OAHLLOKOSA-N 1 3 348.466 2.366 20 30 EEEDHO CCN(Cc1ccc(F)c(C#N)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156201136 1317918292 /nfs/dbraw/zinc/91/82/92/1317918292.db2.gz WKTMEANQVGJJCB-OAHLLOKOSA-N 1 3 348.466 2.366 20 30 EEEDHO CC[C@@H](CC#N)N[C@@H]1CCc2c(ccc(=O)n2CC[NH+]2CCCC2)C1 ZINC001255152562 1318304449 /nfs/dbraw/zinc/30/44/49/1318304449.db2.gz XMHUCFKKIASOGO-ZWKOTPCHSA-N 1 3 342.487 2.083 20 30 EEEDHO C#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001162810825 1320965308 /nfs/dbraw/zinc/96/53/08/1320965308.db2.gz RFXMDVDQLRNIJN-VQTJNVASSA-N 1 3 341.499 2.011 20 30 EEEDHO C#CCNCCN(CCc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001162810825 1320965311 /nfs/dbraw/zinc/96/53/11/1320965311.db2.gz RFXMDVDQLRNIJN-VQTJNVASSA-N 1 3 341.499 2.011 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001162928847 1320990113 /nfs/dbraw/zinc/99/01/13/1320990113.db2.gz PQDGVZPJLUUDTJ-LJQANCHMSA-N 1 3 341.499 2.012 20 30 EEEDHO CC#CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163007319 1321012221 /nfs/dbraw/zinc/01/22/21/1321012221.db2.gz QPXBNZIJPZPMSQ-UHFFFAOYSA-N 1 3 329.488 2.011 20 30 EEEDHO CC(C)[C@@H](C(=O)NCCCN(C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001264997684 1322845682 /nfs/dbraw/zinc/84/56/82/1322845682.db2.gz PSKMMKALSDXRMK-SFHVURJKSA-N 1 3 348.466 2.222 20 30 EEEDHO C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCCO1 ZINC001200704708 1338536093 /nfs/dbraw/zinc/53/60/93/1338536093.db2.gz PFNJBCYSPJNGGQ-AEFFLSMTSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCCOc1ccc(C(=O)N(CC[NH+](CC)CC)C(=N)N)cc1 ZINC001195140087 1368503046 /nfs/dbraw/zinc/50/30/46/1368503046.db2.gz IFQOMXSLZAGHMI-UHFFFAOYSA-N 1 3 332.448 2.319 20 30 EEEDHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C#N ZINC001390663725 1388723270 /nfs/dbraw/zinc/72/32/70/1388723270.db2.gz LWROALAITWQRHY-OAHLLOKOSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001399331786 1394978601 /nfs/dbraw/zinc/97/86/01/1394978601.db2.gz CTXLLJOCLHJHTP-OAHLLOKOSA-N 1 3 328.460 2.027 20 30 EEEDHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001424210878 1400971861 /nfs/dbraw/zinc/97/18/61/1400971861.db2.gz AQSOESUJOKDQGE-UHFFFAOYSA-N 1 3 328.460 2.029 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001425594749 1401650006 /nfs/dbraw/zinc/65/00/06/1401650006.db2.gz NAKXOFASACUOHD-QAPCUYQASA-N 1 3 330.476 2.081 20 30 EEEDHO C=C(Cl)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001426138053 1401902332 /nfs/dbraw/zinc/90/23/32/1401902332.db2.gz QNYFXAJWVAHKIH-AWEZNQCLSA-N 1 3 327.900 2.488 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001755619840 1407687410 /nfs/dbraw/zinc/68/74/10/1407687410.db2.gz ZUQUWFVJQCFJQW-MRXNPFEDSA-N 1 3 345.462 2.107 20 30 EEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001755768664 1407828898 /nfs/dbraw/zinc/82/88/98/1407828898.db2.gz SRUAMHNRYWKYGN-HIFRSBDPSA-N 1 3 347.425 2.273 20 30 EEEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681705 764734618 /nfs/dbraw/zinc/73/46/18/764734618.db2.gz NJYZYBRZMUBFPZ-GPMSIDNRSA-N 1 3 339.499 2.459 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564849 770422145 /nfs/dbraw/zinc/42/21/45/770422145.db2.gz JXATYOHLDRHLNE-GOSISDBHSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)CC(C)(C)C2)CC1 ZINC001089564849 770422147 /nfs/dbraw/zinc/42/21/47/770422147.db2.gz JXATYOHLDRHLNE-GOSISDBHSA-N 1 3 331.504 2.124 20 30 EEEDHO CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212820 783065961 /nfs/dbraw/zinc/06/59/61/783065961.db2.gz SKESXMRZUGYHJD-AABGKKOBSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@]2(C)C1 ZINC000982279993 779518561 /nfs/dbraw/zinc/51/85/61/779518561.db2.gz PPKSAHBXDKNLKE-JYAXBFRTSA-N 1 3 343.515 2.055 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@]2(C)C1 ZINC000982279993 779518565 /nfs/dbraw/zinc/51/85/65/779518565.db2.gz PPKSAHBXDKNLKE-JYAXBFRTSA-N 1 3 343.515 2.055 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@]2(C)C1 ZINC000982305992 779657758 /nfs/dbraw/zinc/65/77/58/779657758.db2.gz CLUDEUJVPXXXLL-IZZBFERCSA-N 1 3 343.515 2.197 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@]2(C)C1 ZINC000982305992 779657762 /nfs/dbraw/zinc/65/77/62/779657762.db2.gz CLUDEUJVPXXXLL-IZZBFERCSA-N 1 3 343.515 2.197 20 30 EEEDHO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H](N(CC)CC)C1 ZINC000261690483 780328572 /nfs/dbraw/zinc/32/85/72/780328572.db2.gz RUPIMVBBMVDVLM-FJIDUMEYSA-N 1 3 348.535 2.326 20 30 EEEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@@H](N2CCCCC2)C1 ZINC000261690531 780328731 /nfs/dbraw/zinc/32/87/31/780328731.db2.gz RUTJZSFZNVZEEF-XDNAFOTISA-N 1 3 346.519 2.080 20 30 EEEDHO C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260529 784216624 /nfs/dbraw/zinc/21/66/24/784216624.db2.gz YMUPDXAYFIPXQZ-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260529 784216632 /nfs/dbraw/zinc/21/66/32/784216632.db2.gz YMUPDXAYFIPXQZ-GOSISDBHSA-N 1 3 331.504 2.199 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001135744180 784352063 /nfs/dbraw/zinc/35/20/63/784352063.db2.gz XJUMREANHYVIKX-GJZGRUSLSA-N 1 3 348.466 2.412 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001135979030 784903416 /nfs/dbraw/zinc/90/34/16/784903416.db2.gz AYMYYLWGHCWHPK-JKSUJKDBSA-N 1 3 330.476 2.273 20 30 EEEDHO C#CCCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836215 785258247 /nfs/dbraw/zinc/25/82/47/785258247.db2.gz JBSRSYWILYIOSY-MSOLQXFVSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC001091673564 792163011 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2.197 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371981 795103486 /nfs/dbraw/zinc/10/34/86/795103486.db2.gz XNEQPGIVYIRBJZ-SFHVURJKSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994462180 798043785 /nfs/dbraw/zinc/04/37/85/798043785.db2.gz KNRQMJRUEARQOJ-LPHOPBHVSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994462180 798043793 /nfs/dbraw/zinc/04/37/93/798043793.db2.gz KNRQMJRUEARQOJ-LPHOPBHVSA-N 1 3 327.472 2.354 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004549154 802350882 /nfs/dbraw/zinc/35/08/82/802350882.db2.gz UVOQQEYRXKNFDG-IEBWSBKVSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004549154 802350888 /nfs/dbraw/zinc/35/08/88/802350888.db2.gz UVOQQEYRXKNFDG-IEBWSBKVSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086620110 810657648 /nfs/dbraw/zinc/65/76/48/810657648.db2.gz YRPCADLKBVLOEA-YSIASYRMSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086620110 810657653 /nfs/dbraw/zinc/65/76/53/810657653.db2.gz YRPCADLKBVLOEA-YSIASYRMSA-N 1 3 341.499 2.489 20 30 EEEDHO CN(CCC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC001502342571 1113636410 /nfs/dbraw/zinc/63/64/10/1113636410.db2.gz ZUWXWPUGIIBTRQ-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC001502342571 1113636412 /nfs/dbraw/zinc/63/64/12/1113636412.db2.gz ZUWXWPUGIIBTRQ-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000268621294 252075893 /nfs/dbraw/zinc/07/58/93/252075893.db2.gz YIXDXPJGSONTRL-HXUWFJFHSA-N 1 3 339.483 2.065 20 30 EEEDHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000268621294 252075896 /nfs/dbraw/zinc/07/58/96/252075896.db2.gz 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ZINC001080483887 796076389 /nfs/dbraw/zinc/07/63/89/796076389.db2.gz ADTDAAABLZMCFJ-RSPOEFSDSA-N 1 3 341.499 2.344 20 30 EEEDHO C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483887 796076397 /nfs/dbraw/zinc/07/63/97/796076397.db2.gz ADTDAAABLZMCFJ-RSPOEFSDSA-N 1 3 341.499 2.344 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994482867 798078231 /nfs/dbraw/zinc/07/82/31/798078231.db2.gz FJEOFXSVEXKWAF-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994482867 798078236 /nfs/dbraw/zinc/07/82/36/798078236.db2.gz FJEOFXSVEXKWAF-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2ccc(F)cc2C)CC1 ZINC001176925886 798630319 /nfs/dbraw/zinc/63/03/19/798630319.db2.gz DFLFTLPIPYFDTD-UHFFFAOYSA-N 1 3 345.462 2.075 20 30 EEEDHO C[NH+](C)CCC(=O)NCCCCCCNCc1ccccc1C#N ZINC001179461465 799935068 /nfs/dbraw/zinc/93/50/68/799935068.db2.gz LFPIVKXDPDRVOY-UHFFFAOYSA-N 1 3 330.476 2.276 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1)N(C)C ZINC001436830872 1088442784 /nfs/dbraw/zinc/44/27/84/1088442784.db2.gz AMSIRKRBXASAFA-RBUKOAKNSA-N 1 3 342.487 2.129 20 30 EEEDHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1)N(C)C ZINC001440368776 1093534948 /nfs/dbraw/zinc/53/49/48/1093534948.db2.gz PATWQXIJSWXGCZ-QGPMSJSTSA-N 1 3 346.450 2.022 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003417 1113871015 /nfs/dbraw/zinc/87/10/15/1113871015.db2.gz RCDQXXRVKWQBMO-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001503003417 1113871018 /nfs/dbraw/zinc/87/10/18/1113871018.db2.gz RCDQXXRVKWQBMO-VQIMIIECSA-N 1 3 342.487 2.369 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)CC1 ZINC000491392451 246015996 /nfs/dbraw/zinc/01/59/96/246015996.db2.gz CBUSTCRSMXAFFO-SFHVURJKSA-N 1 3 341.455 2.356 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877493 462648918 /nfs/dbraw/zinc/64/89/18/462648918.db2.gz XERSNHUTYVWFRZ-KRWDZBQOSA-N 1 3 334.508 2.010 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877493 462648924 /nfs/dbraw/zinc/64/89/24/462648924.db2.gz XERSNHUTYVWFRZ-KRWDZBQOSA-N 1 3 334.508 2.010 20 30 EEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223670 463555662 /nfs/dbraw/zinc/55/56/62/463555662.db2.gz QLDGTXRWSWHIMZ-SFHVURJKSA-N 1 3 343.475 2.438 20 30 EEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000058223670 463555667 /nfs/dbraw/zinc/55/56/67/463555667.db2.gz QLDGTXRWSWHIMZ-SFHVURJKSA-N 1 3 343.475 2.438 20 30 EEEDHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185885708 463898658 /nfs/dbraw/zinc/89/86/58/463898658.db2.gz NUIISCNAHIWOFJ-SJLPKXTDSA-N 1 3 328.460 2.150 20 30 EEEDHO CCC[NH+]1CCC(C[NH+]=C([O-])NC[C@H]2CCc3nccn3C2)CC1 ZINC000329891102 465464242 /nfs/dbraw/zinc/46/42/42/465464242.db2.gz HISGVHNRFAJCLC-MRXNPFEDSA-N 1 3 333.480 2.071 20 30 EEEDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570874 468485017 /nfs/dbraw/zinc/48/50/17/468485017.db2.gz YMFARKQWEKWYKF-JXFKEZNVSA-N 1 3 349.482 2.470 20 30 EEEDHO C[N@@H+]1CCCC12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369292045 466724674 /nfs/dbraw/zinc/72/46/74/466724674.db2.gz CHDURNWEAUOMPE-SFHVURJKSA-N 1 3 336.439 2.327 20 30 EEEDHO C[N@H+]1CCCC12CCN(C(=O)C(C#N)Cc1ccc(C#N)cc1)CC2 ZINC000369292045 466724678 /nfs/dbraw/zinc/72/46/78/466724678.db2.gz CHDURNWEAUOMPE-SFHVURJKSA-N 1 3 336.439 2.327 20 30 EEEDHO C=CCC(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000432102866 467215115 /nfs/dbraw/zinc/21/51/15/467215115.db2.gz NDBFRWOBWDRWES-UHFFFAOYSA-N 1 3 336.524 2.447 20 30 EEEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)c1conc1C(C)(C)N)C(C)C ZINC000577963087 468194691 /nfs/dbraw/zinc/19/46/91/468194691.db2.gz OEVDWMRAXZWUCU-OAHLLOKOSA-N 1 3 334.464 2.297 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C(C)C ZINC000669385661 471471622 /nfs/dbraw/zinc/47/16/22/471471622.db2.gz NXAPNOCYYHSPNZ-FGTMMUONSA-N 1 3 334.508 2.078 20 30 EEEDHO C#CCN1CCC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC1 ZINC000110487881 526933357 /nfs/dbraw/zinc/93/33/57/526933357.db2.gz PTZCDXCPYNCKDC-UHFFFAOYSA-N 1 3 343.471 2.301 20 30 EEEDHO CCOCCCNC(=[NH2+])NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000104180768 528659848 /nfs/dbraw/zinc/65/98/48/528659848.db2.gz VTNQUGMZCBLJLT-HNNXBMFYSA-N 1 3 338.521 2.291 20 30 EEEDHO CC[NH+]=C(NCC1(N2CCC(OC)CC2)CCCC1)N1CCCC1 ZINC000262348436 679191208 /nfs/dbraw/zinc/19/12/08/679191208.db2.gz DRFOYLANQZDXJI-UHFFFAOYSA-N 1 3 336.524 2.471 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023371314 679277691 /nfs/dbraw/zinc/27/76/91/679277691.db2.gz XMNUFZLYKJCJFZ-MOPGFXCFSA-N 1 3 345.531 2.493 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023371314 679277693 /nfs/dbraw/zinc/27/76/93/679277693.db2.gz XMNUFZLYKJCJFZ-MOPGFXCFSA-N 1 3 345.531 2.493 20 30 EEEDHO CC#CCN1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763241 679567519 /nfs/dbraw/zinc/56/75/19/679567519.db2.gz GQHIDAMMGSIOLU-KRWDZBQOSA-N 1 3 327.472 2.213 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C#N)C1)N(C)C ZINC001024039511 679772620 /nfs/dbraw/zinc/77/26/20/679772620.db2.gz XSTGZAUOCBKDLT-QFBILLFUSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC001024478532 679951716 /nfs/dbraw/zinc/95/17/16/679951716.db2.gz SPRVEURRMPQDSJ-OALUTQOASA-N 1 3 349.519 2.177 20 30 EEEDHO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC001024478532 679951713 /nfs/dbraw/zinc/95/17/13/679951713.db2.gz SPRVEURRMPQDSJ-OALUTQOASA-N 1 3 349.519 2.177 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631233 683169658 /nfs/dbraw/zinc/16/96/58/683169658.db2.gz YSGLFPNICKTMDZ-IAGOWNOFSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631233 683169660 /nfs/dbraw/zinc/16/96/60/683169660.db2.gz YSGLFPNICKTMDZ-IAGOWNOFSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025631233 683169664 /nfs/dbraw/zinc/16/96/64/683169664.db2.gz YSGLFPNICKTMDZ-IAGOWNOFSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992931873 683662518 /nfs/dbraw/zinc/66/25/18/683662518.db2.gz XDYCNGUAWMTLCQ-MISYRCLQSA-N 1 3 339.483 2.212 20 30 EEEDHO CCc1cnc(CNC(=[NH+]C)N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000262815062 688537981 /nfs/dbraw/zinc/53/79/81/688537981.db2.gz VIUKNNTWKPMZBR-CQSZACIVSA-N 1 3 335.521 2.341 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028214 1193332638 /nfs/dbraw/zinc/33/26/38/1193332638.db2.gz FYTFJGWNDWPZBX-APWZRJJASA-N 1 3 327.472 2.212 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112211091 1187079364 /nfs/dbraw/zinc/07/93/64/1187079364.db2.gz WJYSDJVZAWBYGL-HUUCEWRRSA-N 1 3 347.425 2.417 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CN1CC[C@H](C)C1)CCO2 ZINC001105481898 1188098630 /nfs/dbraw/zinc/09/86/30/1188098630.db2.gz KNKNHAATCJPZCP-ZJRDLVKKSA-N 1 3 349.519 2.034 20 30 EEEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(C)CCC)CCC1 ZINC001105575011 1188188968 /nfs/dbraw/zinc/18/89/68/1188188968.db2.gz OZSIOZGDVKVPQW-GOSISDBHSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Cl)CNCC1(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001168290484 1188253777 /nfs/dbraw/zinc/25/37/77/1188253777.db2.gz GBMSZYXHUVLOKG-HUUCEWRRSA-N 1 3 327.900 2.488 20 30 EEEDHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001168321140 1188290916 /nfs/dbraw/zinc/29/09/16/1188290916.db2.gz YWSVTLZEZIPJEN-UHFFFAOYSA-N 1 3 348.516 2.336 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248905 1195983097 /nfs/dbraw/zinc/98/30/97/1195983097.db2.gz HEWVHHVJRSHNAM-PKOBYXMFSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248905 1195983101 /nfs/dbraw/zinc/98/31/01/1195983101.db2.gz HEWVHHVJRSHNAM-PKOBYXMFSA-N 1 3 331.504 2.387 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132832234 1200096072 /nfs/dbraw/zinc/09/60/72/1200096072.db2.gz UDQHPURSLULSST-ROUUACIJSA-N 1 3 333.520 2.348 20 30 EEEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])NCCC(C)C)cc2)CC1 ZINC000104166022 1204611384 /nfs/dbraw/zinc/61/13/84/1204611384.db2.gz BWURHEQRHNIJDZ-UHFFFAOYSA-N 1 3 345.535 2.275 20 30 EEEDHO C#CCOc1cccc(Cl)c1CNC1CC[NH+](CCN(C)C)CC1 ZINC000778155898 1207734478 /nfs/dbraw/zinc/73/44/78/1207734478.db2.gz LUQJCXOMOPVBAO-UHFFFAOYSA-N 1 3 349.906 2.468 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948056883 1208847138 /nfs/dbraw/zinc/84/71/38/1208847138.db2.gz NKEPJYHPBIYIFS-LPHOPBHVSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC000948056883 1208847142 /nfs/dbraw/zinc/84/71/42/1208847142.db2.gz NKEPJYHPBIYIFS-LPHOPBHVSA-N 1 3 327.472 2.354 20 30 EEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957598762 1215244475 /nfs/dbraw/zinc/24/44/75/1215244475.db2.gz KQWLHGWJMYLTDH-GOSISDBHSA-N 1 3 333.520 2.301 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1cccc(Cl)c1 ZINC000304771365 1216105046 /nfs/dbraw/zinc/10/50/46/1216105046.db2.gz AAQPUYDKYYLAAZ-CVEARBPZSA-N 1 3 338.883 2.416 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1cccc(Cl)c1 ZINC000304771367 1216105469 /nfs/dbraw/zinc/10/54/69/1216105469.db2.gz AAQPUYDKYYLAAZ-HOTGVXAUSA-N 1 3 338.883 2.416 20 30 EEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000960269635 1216461502 /nfs/dbraw/zinc/46/15/02/1216461502.db2.gz VUNLVWGCVORCHA-YCEFEEMOSA-N 1 3 327.472 2.275 20 30 EEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960269635 1216461505 /nfs/dbraw/zinc/46/15/05/1216461505.db2.gz VUNLVWGCVORCHA-YCEFEEMOSA-N 1 3 327.472 2.275 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411340 1217179934 /nfs/dbraw/zinc/17/99/34/1217179934.db2.gz LSVQDLHNSSXCKV-ICSRJNTNSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411340 1217179936 /nfs/dbraw/zinc/17/99/36/1217179936.db2.gz LSVQDLHNSSXCKV-ICSRJNTNSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC000961434856 1217188965 /nfs/dbraw/zinc/18/89/65/1217188965.db2.gz IVKCWZHPROJDEX-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC000961434856 1217188967 /nfs/dbraw/zinc/18/89/67/1217188967.db2.gz IVKCWZHPROJDEX-PMACEKPBSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360169 1217554881 /nfs/dbraw/zinc/55/48/81/1217554881.db2.gz KZWRCGOXCNPPKT-RTBURBONSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360169 1217554888 /nfs/dbraw/zinc/55/48/88/1217554888.db2.gz 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C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233240 1230465927 /nfs/dbraw/zinc/46/59/27/1230465927.db2.gz JJEUXDYOKCMTQZ-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233240 1230465931 /nfs/dbraw/zinc/46/59/31/1230465931.db2.gz JJEUXDYOKCMTQZ-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)CC1 ZINC001040699937 1231339956 /nfs/dbraw/zinc/33/99/56/1231339956.db2.gz FNTDYSGROFLSJK-OALUTQOASA-N 1 3 343.515 2.199 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001040699937 1231339960 /nfs/dbraw/zinc/33/99/60/1231339960.db2.gz FNTDYSGROFLSJK-OALUTQOASA-N 1 3 343.515 2.199 20 30 EEEDHO CC#CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847623 1231386671 /nfs/dbraw/zinc/38/66/71/1231386671.db2.gz UENCOYVBYHCLKO-UHFFFAOYSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001041742795 1231670907 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1410869490 /nfs/dbraw/zinc/86/94/90/1410869490.db2.gz OIOGBPSOQZUJQQ-ICSRJNTNSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC(C)(C)C1 ZINC001089473061 769617427 /nfs/dbraw/zinc/61/74/27/769617427.db2.gz QSMKNSLHIILPLL-ZWKOTPCHSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089473061 769617430 /nfs/dbraw/zinc/61/74/30/769617430.db2.gz QSMKNSLHIILPLL-ZWKOTPCHSA-N 1 3 333.520 2.348 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107313 782921797 /nfs/dbraw/zinc/92/17/97/782921797.db2.gz RFFOUVYRBYXBIE-MSOLQXFVSA-N 1 3 333.520 2.465 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107313 782921801 /nfs/dbraw/zinc/92/18/01/782921801.db2.gz RFFOUVYRBYXBIE-MSOLQXFVSA-N 1 3 333.520 2.465 20 30 EEEDHO C=CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C(F)(F)F ZINC001112182022 783124064 /nfs/dbraw/zinc/12/40/64/783124064.db2.gz JYALXSAGOXBWNW-ZIAGYGMSSA-N 1 3 335.414 2.273 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980167634 773993631 /nfs/dbraw/zinc/99/36/31/773993631.db2.gz FLKHOGPBVKXJDG-RCCFBDPRSA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980167634 773993636 /nfs/dbraw/zinc/99/36/36/773993636.db2.gz FLKHOGPBVKXJDG-RCCFBDPRSA-N 1 3 331.504 2.101 20 30 EEEDHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCc2ccc(C#N)s2)C1 ZINC001035102577 783731366 /nfs/dbraw/zinc/73/13/66/783731366.db2.gz OONCTEGHFDOBPY-HUUCEWRRSA-N 1 3 346.500 2.042 20 30 EEEDHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCc2ccc(C#N)s2)C1 ZINC001035102577 783731374 /nfs/dbraw/zinc/73/13/74/783731374.db2.gz OONCTEGHFDOBPY-HUUCEWRRSA-N 1 3 346.500 2.042 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001135742921 784349666 /nfs/dbraw/zinc/34/96/66/784349666.db2.gz AWIGWLDJMPPNPS-ROUUACIJSA-N 1 3 329.488 2.253 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001135744330 784354025 /nfs/dbraw/zinc/35/40/25/784354025.db2.gz ZQUNDQCVXSXBIW-ZIAGYGMSSA-N 1 3 336.505 2.334 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565162 805687654 /nfs/dbraw/zinc/68/76/54/805687654.db2.gz CTABMMRFMAQPGB-SQNIBIBYSA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911752552 787688956 /nfs/dbraw/zinc/68/89/56/787688956.db2.gz WHWQXOOAUHJNOZ-HOCLYGCPSA-N 1 3 345.443 2.218 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C2CC[NH+](CC3CCC3)CC2)CC1 ZINC000997433703 789903470 /nfs/dbraw/zinc/90/34/70/789903470.db2.gz IZSZMDGEFRMTIJ-QGZVFWFLSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998284430 792463887 /nfs/dbraw/zinc/46/38/87/792463887.db2.gz GWNBDKQXQPDHFY-LSDHHAIUSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921378 792985891 /nfs/dbraw/zinc/98/58/91/792985891.db2.gz NYIBGVAQSHHNKV-MSOLQXFVSA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921378 792985894 /nfs/dbraw/zinc/98/58/94/792985894.db2.gz NYIBGVAQSHHNKV-MSOLQXFVSA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC3(C[C@@H]2C)CC[NH+](CC=C)CC3)CC1 ZINC001086958016 793102811 /nfs/dbraw/zinc/10/28/11/793102811.db2.gz BICXJXGQPYOTBP-SFHVURJKSA-N 1 3 343.515 2.221 20 30 EEEDHO CC#CCN1CC[C@@]2(NC(=O)c3ccc(C[NH+](C)C)cc3)CCC[C@@H]12 ZINC000992316028 793642101 /nfs/dbraw/zinc/64/21/01/793642101.db2.gz LSCCSBCTEABLPB-CTNGQTDRSA-N 1 3 339.483 2.498 20 30 EEEDHO C=CCN1CC[C@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992400448 793964708 /nfs/dbraw/zinc/96/47/08/793964708.db2.gz DQLCHFIMNDAPSW-UYAOXDASSA-N 1 3 331.504 2.408 20 30 EEEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540317 794136756 /nfs/dbraw/zinc/13/67/56/794136756.db2.gz PVOVFLGDPHIHSZ-ZVDOUQERSA-N 1 3 345.531 2.491 20 30 EEEDHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000999366396 794368090 /nfs/dbraw/zinc/36/80/90/794368090.db2.gz XZYCGUSFWJVAFH-GOSISDBHSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360734 795087244 /nfs/dbraw/zinc/08/72/44/795087244.db2.gz FGPAKTWWYYMBLY-RBUKOAKNSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360734 795087251 /nfs/dbraw/zinc/08/72/51/795087251.db2.gz FGPAKTWWYYMBLY-RBUKOAKNSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378457 795114989 /nfs/dbraw/zinc/11/49/89/795114989.db2.gz OHWOZWXSAYJZET-YLJYHZDGSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378457 795114993 /nfs/dbraw/zinc/11/49/93/795114993.db2.gz OHWOZWXSAYJZET-YLJYHZDGSA-N 1 3 343.515 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=C)C)CC3)CC1 ZINC001094581400 796421779 /nfs/dbraw/zinc/42/17/79/796421779.db2.gz AQVCMAHEXKFGSZ-TZIWHRDSSA-N 1 3 343.515 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=C)C)CC3)CC1 ZINC001094581400 796421781 /nfs/dbraw/zinc/42/17/81/796421781.db2.gz AQVCMAHEXKFGSZ-TZIWHRDSSA-N 1 3 343.515 2.269 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001081125893 796669798 /nfs/dbraw/zinc/66/97/98/796669798.db2.gz VSBAYRKSPBNCRE-ZWKOTPCHSA-N 1 3 327.472 2.241 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001081179681 796678980 /nfs/dbraw/zinc/67/89/80/796678980.db2.gz FCPHLVZMBNEWSF-YTQUADARSA-N 1 3 327.472 2.098 20 30 EEEDHO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818990 797023783 /nfs/dbraw/zinc/02/37/83/797023783.db2.gz HCGGSZYROPJIKB-QZTJIDSGSA-N 1 3 325.456 2.012 20 30 EEEDHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173335162 797363880 /nfs/dbraw/zinc/36/38/80/797363880.db2.gz DXFYYLMUXZDGGC-RBGSFJITSA-N 1 3 342.491 2.145 20 30 EEEDHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(CC#N)CC3)CC[C@@H]21 ZINC001173335162 797363887 /nfs/dbraw/zinc/36/38/87/797363887.db2.gz DXFYYLMUXZDGGC-RBGSFJITSA-N 1 3 342.491 2.145 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203255798 797514618 /nfs/dbraw/zinc/51/46/18/797514618.db2.gz FHISRFZIHGQRQJ-IAGOWNOFSA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2CC[NH+](C[C@H](C)CC)CC2)CC1 ZINC001002146155 797624550 /nfs/dbraw/zinc/62/45/50/797624550.db2.gz YEPAYLLJWWXPEX-QGZVFWFLSA-N 1 3 333.520 2.206 20 30 EEEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404323 798410943 /nfs/dbraw/zinc/41/09/43/798410943.db2.gz VVQMMSYTKCPTBS-ZWKOTPCHSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404323 798410946 /nfs/dbraw/zinc/41/09/46/798410946.db2.gz VVQMMSYTKCPTBS-ZWKOTPCHSA-N 1 3 333.520 2.204 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001085309487 800345744 /nfs/dbraw/zinc/34/57/44/800345744.db2.gz RMCCGDYRZKZOIK-CAOSSQGBSA-N 1 3 327.900 2.486 20 30 EEEDHO C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085309487 800345752 /nfs/dbraw/zinc/34/57/52/800345752.db2.gz RMCCGDYRZKZOIK-CAOSSQGBSA-N 1 3 327.900 2.486 20 30 EEEDHO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001086615719 810430374 /nfs/dbraw/zinc/43/03/74/810430374.db2.gz PFLVGDKRSLGBMF-VQTJNVASSA-N 1 3 341.499 2.489 20 30 EEEDHO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001086615719 810430381 /nfs/dbraw/zinc/43/03/81/810430381.db2.gz PFLVGDKRSLGBMF-VQTJNVASSA-N 1 3 341.499 2.489 20 30 EEEDHO C=CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001130423792 811618173 /nfs/dbraw/zinc/61/81/73/811618173.db2.gz WMBPSVPGARPNMB-DOTOQJQBSA-N 1 3 347.507 2.122 20 30 EEEDHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001480266910 1099962878 /nfs/dbraw/zinc/96/28/78/1099962878.db2.gz BCYWVEOJTTZBKH-MOPGFXCFSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001480266910 1099962887 /nfs/dbraw/zinc/96/28/87/1099962887.db2.gz BCYWVEOJTTZBKH-MOPGFXCFSA-N 1 3 342.487 2.227 20 30 EEEDHO CN(CCCOc1cccc(C#N)c1)CC[N@H+](C)C1CCN(C)CC1 ZINC000180947103 529895438 /nfs/dbraw/zinc/89/54/38/529895438.db2.gz KRBVMAPREAAIQQ-UHFFFAOYSA-N 1 3 344.503 2.285 20 30 EEEDHO CN(CCCOc1cccc(C#N)c1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180947103 529895439 /nfs/dbraw/zinc/89/54/39/529895439.db2.gz KRBVMAPREAAIQQ-UHFFFAOYSA-N 1 3 344.503 2.285 20 30 EEEDHO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CN1CCCC1 ZINC000566125676 319248621 /nfs/dbraw/zinc/24/86/21/319248621.db2.gz UEICJPGWYVINIG-QGZVFWFLSA-N 1 3 331.460 2.010 20 30 EEEDHO N#Cc1ccc(CN2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000566407085 319282466 /nfs/dbraw/zinc/28/24/66/319282466.db2.gz YAOTZSRYFMFQTO-QGZVFWFLSA-N 1 3 334.414 2.109 20 30 EEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628276 463686277 /nfs/dbraw/zinc/68/62/77/463686277.db2.gz CEARHLXILFDEGM-IBGZPJMESA-N 1 3 342.487 2.241 20 30 EEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(CC#N)c1 ZINC000170628276 463686281 /nfs/dbraw/zinc/68/62/81/463686281.db2.gz CEARHLXILFDEGM-IBGZPJMESA-N 1 3 342.487 2.241 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000172584861 464110801 /nfs/dbraw/zinc/11/08/01/464110801.db2.gz HYSNXGTXRUJFJJ-SFHVURJKSA-N 1 3 334.508 2.297 20 30 EEEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000264081569 464281034 /nfs/dbraw/zinc/28/10/34/464281034.db2.gz HPBXNTQFBABLRI-QGZVFWFLSA-N 1 3 331.508 2.304 20 30 EEEDHO CCN(CC)C(=[NH2+])NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000264088779 464282256 /nfs/dbraw/zinc/28/22/56/464282256.db2.gz KGJXTUBPHVYDMP-SFHVURJKSA-N 1 3 331.508 2.022 20 30 EEEDHO CC[NH+](CC)CCCNC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602768170 469062375 /nfs/dbraw/zinc/06/23/75/469062375.db2.gz WTAHGHQLVUWCPE-UHFFFAOYSA-N 1 3 334.508 2.240 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000114643411 526925549 /nfs/dbraw/zinc/92/55/49/526925549.db2.gz KUCLNKNEFVHGAG-HXUWFJFHSA-N 1 3 339.483 2.112 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114643411 526925552 /nfs/dbraw/zinc/92/55/52/526925552.db2.gz KUCLNKNEFVHGAG-HXUWFJFHSA-N 1 3 339.483 2.112 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001020432506 674731862 /nfs/dbraw/zinc/73/18/62/674731862.db2.gz PGYSOBJHYOORKO-WKILWMFISA-N 1 3 335.879 2.394 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414665 679298015 /nfs/dbraw/zinc/29/80/15/679298015.db2.gz XXEHUCJZEHZBMI-IEBWSBKVSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414665 679298016 /nfs/dbraw/zinc/29/80/16/679298016.db2.gz XXEHUCJZEHZBMI-IEBWSBKVSA-N 1 3 331.504 2.245 20 30 EEEDHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(C#N)s2)C1 ZINC001025160128 682132988 /nfs/dbraw/zinc/13/29/88/682132988.db2.gz ZTZRXOOPWGLJIH-LSDHHAIUSA-N 1 3 346.500 2.042 20 30 EEEDHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccc(C#N)s2)C1 ZINC001025160128 682132991 /nfs/dbraw/zinc/13/29/91/682132991.db2.gz ZTZRXOOPWGLJIH-LSDHHAIUSA-N 1 3 346.500 2.042 20 30 EEEDHO C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245059 682324166 /nfs/dbraw/zinc/32/41/66/682324166.db2.gz ZJIGHCILSVGNON-RBUKOAKNSA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001029003039 682648612 /nfs/dbraw/zinc/64/86/12/682648612.db2.gz HDUMPNYPQMLEQR-LJQANCHMSA-N 1 3 345.531 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001029003039 682648614 /nfs/dbraw/zinc/64/86/14/682648614.db2.gz HDUMPNYPQMLEQR-LJQANCHMSA-N 1 3 345.531 2.350 20 30 EEEDHO C[C@H]1CCCN(CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262000353 682773609 /nfs/dbraw/zinc/77/36/09/682773609.db2.gz PGYCBGLTTWFSBU-AWEZNQCLSA-N 1 3 332.448 2.306 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C(C)(C)C1 ZINC000974859708 685645584 /nfs/dbraw/zinc/64/55/84/685645584.db2.gz BZRZBCFMUWSJAS-IBGZPJMESA-N 1 3 341.499 2.254 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(OC)cc1 ZINC000303974527 686961865 /nfs/dbraw/zinc/96/18/65/686961865.db2.gz HYVSYZDPZQXTEA-INIZCTEOSA-N 1 3 332.492 2.361 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1)[NH+](C)C ZINC001268069256 1181666560 /nfs/dbraw/zinc/66/65/60/1181666560.db2.gz RGJDFDDYABTGCI-HKUYNNGSSA-N 1 3 329.488 2.061 20 30 EEEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3ccc(C#N)cn3)C2)C1 ZINC001275034949 1205240694 /nfs/dbraw/zinc/24/06/94/1205240694.db2.gz SDTZHKRNFSUFQF-FQEVSTJZSA-N 1 3 341.503 2.193 20 30 EEEDHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275950459 1205600572 /nfs/dbraw/zinc/60/05/72/1205600572.db2.gz WYANKZZLJCRKCW-PMACEKPBSA-N 1 3 337.471 2.250 20 30 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N#Cc1ccccc1OCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683599 1318831037 /nfs/dbraw/zinc/83/10/37/1318831037.db2.gz FIZBBCJYHDIVKB-UHFFFAOYSA-N 1 3 329.444 2.170 20 30 EEEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780428 1320267068 /nfs/dbraw/zinc/26/70/68/1320267068.db2.gz RFQSYTMDLODTTI-DYXWJJEUSA-N 1 3 341.499 2.450 20 30 EEEDHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC001163820504 1321224987 /nfs/dbraw/zinc/22/49/87/1321224987.db2.gz FUFDYEJHWMVFTH-LJQANCHMSA-N 1 3 339.483 2.008 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC=C)C23CCC3)CC1 ZINC001203771404 1321957742 /nfs/dbraw/zinc/95/77/42/1321957742.db2.gz NKZXTEQIOOHFGJ-MOPGFXCFSA-N 1 3 343.515 2.315 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)C)C23CCC3)CC1 ZINC001203774231 1321958372 /nfs/dbraw/zinc/95/83/72/1321958372.db2.gz ZJCQMAKVCWJUPA-MOPGFXCFSA-N 1 3 345.531 2.395 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC(CNCc2ccccc2C#N)CC1 ZINC001206794831 1323600666 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30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001372651076 1376113544 /nfs/dbraw/zinc/11/35/44/1376113544.db2.gz NLEOBRADLNEPEE-RBUKOAKNSA-N 1 3 342.487 2.083 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001372651076 1376113547 /nfs/dbraw/zinc/11/35/47/1376113547.db2.gz NLEOBRADLNEPEE-RBUKOAKNSA-N 1 3 342.487 2.083 20 30 EEEDHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001375497900 1377788955 /nfs/dbraw/zinc/78/89/55/1377788955.db2.gz DUOVMUDIOTYGOF-WOVMCDHWSA-N 1 3 346.450 2.024 20 30 EEEDHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001390570313 1388685282 /nfs/dbraw/zinc/68/52/82/1388685282.db2.gz RONJIZZODLDTQB-KRWDZBQOSA-N 1 3 346.450 2.120 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001390570313 1388685285 /nfs/dbraw/zinc/68/52/85/1388685285.db2.gz RONJIZZODLDTQB-KRWDZBQOSA-N 1 3 346.450 2.120 20 30 EEEDHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C#N ZINC001390663721 1388723125 /nfs/dbraw/zinc/72/31/25/1388723125.db2.gz LWROALAITWQRHY-HNNXBMFYSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC001390665251 1388723521 /nfs/dbraw/zinc/72/35/21/1388723521.db2.gz OYMJJAUCNIZQJI-CQSZACIVSA-N 1 3 346.450 2.166 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[N@@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001753074170 1406666810 /nfs/dbraw/zinc/66/68/10/1406666810.db2.gz BOJIOTYQKQWGLQ-UHFFFAOYSA-N 1 3 341.499 2.197 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[N@H+](C)Cc2ccc(C)cc2C)CC1 ZINC001753074170 1406666817 /nfs/dbraw/zinc/66/68/17/1406666817.db2.gz BOJIOTYQKQWGLQ-UHFFFAOYSA-N 1 3 341.499 2.197 20 30 EEEDHO C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001423327591 1400525895 /nfs/dbraw/zinc/52/58/95/1400525895.db2.gz PONFSBSXWNOXCF-CJNGLKHVSA-N 1 3 346.500 2.041 20 30 EEEDHO C=CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001075411084 759384733 /nfs/dbraw/zinc/38/47/33/759384733.db2.gz MSRHXFUGNHFPFD-QZTJIDSGSA-N 1 3 349.519 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CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089847744 777907258 /nfs/dbraw/zinc/90/72/58/777907258.db2.gz XKPGGMOLKYYABI-RDGPPVDQSA-N 1 3 343.515 2.053 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744207 784352388 /nfs/dbraw/zinc/35/23/88/784352388.db2.gz XTFSMKGCCJPGML-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO C#CCN1CCC(C(=O)N2CCC3(C[NH+](CC[C@H](C)F)C3)CC2)CC1 ZINC001035856062 785294981 /nfs/dbraw/zinc/29/49/81/785294981.db2.gz GGUOGMUURPLAKN-KRWDZBQOSA-N 1 3 349.494 2.004 20 30 EEEDHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000996664751 787053368 /nfs/dbraw/zinc/05/33/68/787053368.db2.gz IPRRSMQZCAGJNP-UHFFFAOYSA-N 1 3 340.471 2.123 20 30 EEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871889 791229495 /nfs/dbraw/zinc/22/94/95/791229495.db2.gz OACRWCWOJCNSAW-YSHGAJCASA-N 1 3 327.472 2.097 20 30 EEEDHO C=CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088871889 791229505 /nfs/dbraw/zinc/22/95/05/791229505.db2.gz OACRWCWOJCNSAW-YSHGAJCASA-N 1 3 327.472 2.097 20 30 EEEDHO CC(C)[NH+]1CCC(C(=O)NCCNCc2ccc(C#N)c(F)c2)CC1 ZINC001146383386 791254723 /nfs/dbraw/zinc/25/47/23/791254723.db2.gz FUUOESFSWQFJDQ-UHFFFAOYSA-N 1 3 346.450 2.024 20 30 EEEDHO C=CC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998271690 792415640 /nfs/dbraw/zinc/41/56/40/792415640.db2.gz YGXTXWKXEVMQSY-KGLIPLIRSA-N 1 3 333.398 2.026 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942517 793035300 /nfs/dbraw/zinc/03/53/00/793035300.db2.gz UHNSMLSFYYGGFP-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383771 795126399 /nfs/dbraw/zinc/12/63/99/795126399.db2.gz OFIWXUAACHWDDD-HXUWFJFHSA-N 1 3 343.515 2.199 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383771 795126402 /nfs/dbraw/zinc/12/64/02/795126402.db2.gz OFIWXUAACHWDDD-HXUWFJFHSA-N 1 3 343.515 2.199 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC001081126813 796670642 /nfs/dbraw/zinc/67/06/42/796670642.db2.gz GILKDOZQESCHRA-SLFFLAALSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081126813 796670646 /nfs/dbraw/zinc/67/06/46/796670646.db2.gz GILKDOZQESCHRA-SLFFLAALSA-N 1 3 339.483 2.078 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]([NH2+]CC3CCC3)C23CCC3)CC1 ZINC001078820733 797027461 /nfs/dbraw/zinc/02/74/61/797027461.db2.gz ZHJQTTQWGROALI-RBUKOAKNSA-N 1 3 343.515 2.149 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001040543152 798004326 /nfs/dbraw/zinc/00/43/26/798004326.db2.gz HNGGYLSEWAQOQL-QUCCMNQESA-N 1 3 331.504 2.055 20 30 EEEDHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001480536125 1100365200 /nfs/dbraw/zinc/36/52/00/1100365200.db2.gz CFPBJCFGGQAOKL-HNNXBMFYSA-N 1 3 330.476 2.130 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003416 1113870634 /nfs/dbraw/zinc/87/06/34/1113870634.db2.gz RCDQXXRVKWQBMO-QFBILLFUSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001503003416 1113870636 /nfs/dbraw/zinc/87/06/36/1113870636.db2.gz RCDQXXRVKWQBMO-QFBILLFUSA-N 1 3 342.487 2.369 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000067266973 462984347 /nfs/dbraw/zinc/98/43/47/462984347.db2.gz ADNBHHYTLLBMPF-LJQANCHMSA-N 1 3 327.472 2.059 20 30 EEEDHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279891420 464162821 /nfs/dbraw/zinc/16/28/21/464162821.db2.gz CZFQHOSWZTYBID-GUDVDZBRSA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279891420 464162825 /nfs/dbraw/zinc/16/28/25/464162825.db2.gz CZFQHOSWZTYBID-GUDVDZBRSA-N 1 3 336.439 2.183 20 30 EEEDHO COc1ccc(CCNC(=[NH2+])NCc2cccc(CN(C)C)c2)cc1 ZINC000264122947 464285468 /nfs/dbraw/zinc/28/54/68/464285468.db2.gz VQAFZLRPYJAXAO-UHFFFAOYSA-N 1 3 340.471 2.404 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(F)F)c1 ZINC000264316344 464294893 /nfs/dbraw/zinc/29/48/93/464294893.db2.gz WIALSLZREVIZMX-CQSZACIVSA-N 1 3 340.418 2.219 20 30 EEEDHO C=CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282344818 464783704 /nfs/dbraw/zinc/78/37/04/464783704.db2.gz MJLIJVKJDMTUIZ-UHFFFAOYSA-N 1 3 347.503 2.376 20 30 EEEDHO CCOCCCNC(=[NH2+])NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000304648829 466307974 /nfs/dbraw/zinc/30/79/74/466307974.db2.gz XQWNSXLXGMAGRU-GOEBONIOSA-N 1 3 338.521 2.462 20 30 EEEDHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591570876 468484812 /nfs/dbraw/zinc/48/48/12/468484812.db2.gz YMFARKQWEKWYKF-OXQOHEQNSA-N 1 3 349.482 2.470 20 30 EEEDHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528369621 467681895 /nfs/dbraw/zinc/68/18/95/467681895.db2.gz WDJCSSMNNZWYMZ-SFHVURJKSA-N 1 3 331.460 2.103 20 30 EEEDHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528369621 467681898 /nfs/dbraw/zinc/68/18/98/467681898.db2.gz WDJCSSMNNZWYMZ-SFHVURJKSA-N 1 3 331.460 2.103 20 30 EEEDHO C=CCc1ccc(OC[C@@H](O)CNC2CC[NH+](CC)CC2)c(OC)c1 ZINC000583376157 468687884 /nfs/dbraw/zinc/68/78/84/468687884.db2.gz AAYYVPLNVGSGJN-SFHVURJKSA-N 1 3 348.487 2.237 20 30 EEEDHO CC[NH+]1CCN(Cc2ccccc2CNCc2cccc(C#N)n2)CC1 ZINC000602514452 469345326 /nfs/dbraw/zinc/34/53/26/469345326.db2.gz NDCKPHKSHWNQJP-UHFFFAOYSA-N 1 3 349.482 2.381 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000970922540 676244663 /nfs/dbraw/zinc/24/46/63/676244663.db2.gz YCNMGNSRIPJCLN-KRWDZBQOSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001023122776 679133771 /nfs/dbraw/zinc/13/37/71/679133771.db2.gz DOUQYEXSECJKDW-XDQVBPFNSA-N 1 3 344.297 2.005 20 30 EEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001024652965 681318557 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/nfs/dbraw/zinc/31/09/52/1303310952.db2.gz NBNGNMUKSWPERA-GOSISDBHSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001230605199 1303310963 /nfs/dbraw/zinc/31/09/63/1303310963.db2.gz NBNGNMUKSWPERA-GOSISDBHSA-N 1 3 333.520 2.301 20 30 EEEDHO CCCCCCCC[C@H]([NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001122074536 1310214096 /nfs/dbraw/zinc/21/40/96/1310214096.db2.gz APUYFZHEUCAMNA-ROUUACIJSA-N 1 3 339.524 2.434 20 30 EEEDHO C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(CC)CC)C1 ZINC001150480869 1316275897 /nfs/dbraw/zinc/27/58/97/1316275897.db2.gz QOVYPYMJTFGZRP-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CN(CC)CC)C1 ZINC001150480869 1316275901 /nfs/dbraw/zinc/27/59/01/1316275901.db2.gz QOVYPYMJTFGZRP-SFHVURJKSA-N 1 3 339.524 2.282 20 30 EEEDHO CCN(Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904165 1317377583 /nfs/dbraw/zinc/37/75/83/1317377583.db2.gz NGAAEWCLDWIJLC-MRXNPFEDSA-N 1 3 330.476 2.227 20 30 EEEDHO C=CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001252495339 1317616988 /nfs/dbraw/zinc/61/69/88/1317616988.db2.gz MFGLTGXHRKEVSU-SFHVURJKSA-N 1 3 336.451 2.191 20 30 EEEDHO C=CCCCCCC[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001253250394 1317808494 /nfs/dbraw/zinc/80/84/94/1317808494.db2.gz XYUCXXGFYXNFKZ-IBGZPJMESA-N 1 3 325.541 2.490 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001162928537 1320990363 /nfs/dbraw/zinc/99/03/63/1320990363.db2.gz JZQHTRUREPTOKZ-GOSISDBHSA-N 1 3 329.488 2.175 20 30 EEEDHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001164449216 1321381863 /nfs/dbraw/zinc/38/18/63/1321381863.db2.gz DXVKOXHTZSSEBA-IBGZPJMESA-N 1 3 342.487 2.276 20 30 EEEDHO CCC[N@H+]1CCC[C@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001164449216 1321381866 /nfs/dbraw/zinc/38/18/66/1321381866.db2.gz DXVKOXHTZSSEBA-IBGZPJMESA-N 1 3 342.487 2.276 20 30 EEEDHO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)CC1 ZINC001276477596 1322247233 /nfs/dbraw/zinc/24/72/33/1322247233.db2.gz OOYCRBPZBILLKY-AABGKKOBSA-N 1 3 333.520 2.236 20 30 EEEDHO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325760 1322351589 /nfs/dbraw/zinc/35/15/89/1322351589.db2.gz GZRWNMYHWYWODM-RBUKOAKNSA-N 1 3 345.462 2.073 20 30 EEEDHO C#CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1F ZINC001205678497 1323240318 /nfs/dbraw/zinc/24/03/18/1323240318.db2.gz KFWRWHRCZGVRJS-PKOBYXMFSA-N 1 3 345.462 2.075 20 30 EEEDHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C#N)CC1 ZINC001206890255 1323673323 /nfs/dbraw/zinc/67/33/23/1323673323.db2.gz IPPAPZYJMLMJPA-UHFFFAOYSA-N 1 3 342.487 2.228 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC001209324728 1324902752 /nfs/dbraw/zinc/90/27/52/1324902752.db2.gz UJMCQCJCFCLKHH-CQSZACIVSA-N 1 3 334.489 2.042 20 30 EEEDHO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001339880328 1337089702 /nfs/dbraw/zinc/08/97/02/1337089702.db2.gz OFZFIXMLZWZNFX-HZPDHXFCSA-N 1 3 346.523 2.192 20 30 EEEDHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCCO1 ZINC001200509950 1338377593 /nfs/dbraw/zinc/37/75/93/1338377593.db2.gz JGJDMDAHECZTEW-QGZVFWFLSA-N 1 3 337.508 2.034 20 30 EEEDHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)N(C)C ZINC001367484532 1374178828 /nfs/dbraw/zinc/17/88/28/1374178828.db2.gz VVWNPRKDSIPUSD-MSOLQXFVSA-N 1 3 330.476 2.129 20 30 EEEDHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001371867079 1375659279 /nfs/dbraw/zinc/65/92/79/1375659279.db2.gz GNYVCMRMBSSKQZ-MAUKXSAKSA-N 1 3 330.476 2.129 20 30 EEEDHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372674642 1376131866 /nfs/dbraw/zinc/13/18/66/1376131866.db2.gz VFIHCAXVZLZQPF-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001372674642 1376131870 /nfs/dbraw/zinc/13/18/70/1376131870.db2.gz VFIHCAXVZLZQPF-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC001376524531 1378574117 /nfs/dbraw/zinc/57/41/17/1378574117.db2.gz CWWNLFRJKGCSBZ-IBGZPJMESA-N 1 3 342.487 2.228 20 30 EEEDHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC001376680482 1378673611 /nfs/dbraw/zinc/67/36/11/1378673611.db2.gz XTUKRHOOFBSYPY-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001392195098 1389887865 /nfs/dbraw/zinc/88/78/65/1389887865.db2.gz ZGWLYSDUMFDZRN-GJZGRUSLSA-N 1 3 327.900 2.440 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001752920692 1406548649 /nfs/dbraw/zinc/54/86/49/1406548649.db2.gz FAPOUYUKIXZQCL-GOSISDBHSA-N 1 3 341.499 2.243 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001401089941 1396926274 /nfs/dbraw/zinc/92/62/74/1396926274.db2.gz JSVFDOJPYWNABP-QGZVFWFLSA-N 1 3 346.450 2.120 20 30 EEEDHO C=C(Br)C[NH2+]C1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001402833715 1398231056 /nfs/dbraw/zinc/23/10/56/1398231056.db2.gz WSXXSIBDRAEJKI-RUXDESIVSA-N 1 3 346.313 2.252 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001424088271 1400907399 /nfs/dbraw/zinc/90/73/99/1400907399.db2.gz LILAOBJSHMYSFO-SHTZXODSSA-N 1 3 327.900 2.488 20 30 EEEDHO C=C(Br)CNC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C ZINC001426170517 1401933656 /nfs/dbraw/zinc/93/36/56/1401933656.db2.gz XXXHGVWFGVXYKE-CYBMUJFWSA-N 1 3 348.329 2.357 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC=C(C)C)C2)CC1 ZINC001755750169 1407808488 /nfs/dbraw/zinc/80/84/88/1407808488.db2.gz SFJCWACJOULKJA-HKUYNNGSSA-N 1 3 331.504 2.172 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730152 1411043572 /nfs/dbraw/zinc/04/35/72/1411043572.db2.gz DDHNBQPZZDEOPD-ZFWWWQNUSA-N 1 3 327.900 2.345 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730152 1411043579 /nfs/dbraw/zinc/04/35/79/1411043579.db2.gz DDHNBQPZZDEOPD-ZFWWWQNUSA-N 1 3 327.900 2.345 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@@H+](CCC)[C@@H]3C2(C)C)CC1 ZINC001087317080 761613486 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325.472 2.309 20 30 EEEDHO C=CCCN1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957604 778657951 /nfs/dbraw/zinc/65/79/51/778657951.db2.gz NIBRKJKTTYKXKF-SFHVURJKSA-N 1 3 325.472 2.309 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001135857324 784638244 /nfs/dbraw/zinc/63/82/44/784638244.db2.gz GTRXGEZLBDCXDK-GJZGRUSLSA-N 1 3 348.466 2.412 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(F)ccc1C#N ZINC001135857324 784638250 /nfs/dbraw/zinc/63/82/50/784638250.db2.gz GTRXGEZLBDCXDK-GJZGRUSLSA-N 1 3 348.466 2.412 20 30 EEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705398 784986627 /nfs/dbraw/zinc/98/66/27/784986627.db2.gz AWXRYCKPRRFZKK-QZTJIDSGSA-N 1 3 331.504 2.361 20 30 EEEDHO C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705398 784986631 /nfs/dbraw/zinc/98/66/31/784986631.db2.gz AWXRYCKPRRFZKK-QZTJIDSGSA-N 1 3 331.504 2.361 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNc1nc2ccccc2s1 ZINC000170906276 791135060 /nfs/dbraw/zinc/13/50/60/791135060.db2.gz FPKODACWCCFYAP-CYBMUJFWSA-N 1 3 346.504 2.097 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001146590852 791360330 /nfs/dbraw/zinc/36/03/30/791360330.db2.gz CEMPJLRIXGALOY-HOTGVXAUSA-N 1 3 330.476 2.271 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC001146593170 791363196 /nfs/dbraw/zinc/36/31/96/791363196.db2.gz OHKUUJCKXLMDDT-HUUCEWRRSA-N 1 3 348.466 2.410 20 30 EEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032640923 793368836 /nfs/dbraw/zinc/36/88/36/793368836.db2.gz WORHNWSJRVDPHO-HAGHYFMRSA-N 1 3 339.483 2.193 20 30 EEEDHO C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032640923 793368847 /nfs/dbraw/zinc/36/88/47/793368847.db2.gz WORHNWSJRVDPHO-HAGHYFMRSA-N 1 3 339.483 2.193 20 30 EEEDHO C=CCN1CC[C@@]2(NC(=O)C3CC[NH+](CC4CC4)CC3)CCC[C@@H]12 ZINC000992400447 793964976 /nfs/dbraw/zinc/96/49/76/793964976.db2.gz DQLCHFIMNDAPSW-QUCCMNQESA-N 1 3 331.504 2.408 20 30 EEEDHO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000999399874 794385236 /nfs/dbraw/zinc/38/52/36/794385236.db2.gz ILBFHRGZXFCDPU-JMLCCBQJSA-N 1 3 325.472 2.354 20 30 EEEDHO C#CCN1CC[C@]2(NC(=O)c3cccc(C[NH+](C)C)c3)CCC[C@@H]12 ZINC000992512501 794463024 /nfs/dbraw/zinc/46/30/24/794463024.db2.gz STRVBZQAWXECJM-UYAOXDASSA-N 1 3 325.456 2.108 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC(C)C3)C[C@H]2C)CC1 ZINC001093223668 794878353 /nfs/dbraw/zinc/87/83/53/794878353.db2.gz GHUMQTBYAYFJCD-CBJHCWRLSA-N 1 3 345.531 2.062 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2C)CC1 ZINC001093223668 794878362 /nfs/dbraw/zinc/87/83/62/794878362.db2.gz GHUMQTBYAYFJCD-CBJHCWRLSA-N 1 3 345.531 2.062 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001093224140 794879315 /nfs/dbraw/zinc/87/93/15/794879315.db2.gz LRXGTDXVPCNSKC-IEBWSBKVSA-N 1 3 333.520 2.062 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001093224140 794879320 /nfs/dbraw/zinc/87/93/20/794879320.db2.gz LRXGTDXVPCNSKC-IEBWSBKVSA-N 1 3 333.520 2.062 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1C ZINC001106198503 795219701 /nfs/dbraw/zinc/21/97/01/795219701.db2.gz CSYGYJRZUASTKV-YUELXQCFSA-N 1 3 333.879 2.103 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001079847497 795317428 /nfs/dbraw/zinc/31/74/28/795317428.db2.gz IQPOKRWOWRAHPG-QRQLOZEOSA-N 1 3 349.519 2.033 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C1 ZINC001079847497 795317434 /nfs/dbraw/zinc/31/74/34/795317434.db2.gz IQPOKRWOWRAHPG-QRQLOZEOSA-N 1 3 349.519 2.033 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902321 796439998 /nfs/dbraw/zinc/43/99/98/796439998.db2.gz IYXONHUYPABLMX-QUCCMNQESA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902321 796440000 /nfs/dbraw/zinc/44/00/00/796440000.db2.gz IYXONHUYPABLMX-QUCCMNQESA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902502 796440738 /nfs/dbraw/zinc/44/07/38/796440738.db2.gz LLWYTPJILQQRMG-WOJBJXKFSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902502 796440741 /nfs/dbraw/zinc/44/07/41/796440741.db2.gz LLWYTPJILQQRMG-WOJBJXKFSA-N 1 3 339.483 2.308 20 30 EEEDHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001106779201 796522223 /nfs/dbraw/zinc/52/22/23/796522223.db2.gz HJJTUOLPQDLMEJ-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667295 796821928 /nfs/dbraw/zinc/82/19/28/796821928.db2.gz BCOGCQQZZGXCFV-HUUCEWRRSA-N 1 3 337.895 2.384 20 30 EEEDHO C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078717889 796909781 /nfs/dbraw/zinc/90/97/81/796909781.db2.gz HTDPUDAURUOBIQ-CABCVRRESA-N 1 3 325.884 2.098 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994462187 798043559 /nfs/dbraw/zinc/04/35/59/798043559.db2.gz KNRQMJRUEARQOJ-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994462187 798043569 /nfs/dbraw/zinc/04/35/69/798043569.db2.gz KNRQMJRUEARQOJ-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001176926168 798631132 /nfs/dbraw/zinc/63/11/32/798631132.db2.gz HUIQTFIUXKNTGM-HXUWFJFHSA-N 1 3 339.483 2.115 20 30 EEEDHO C[C@H]1[C@@H](NCC#Cc2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001179968428 800217630 /nfs/dbraw/zinc/21/76/30/800217630.db2.gz VCXDXHYZQKVXTG-ICSRJNTNSA-N 1 3 341.499 2.349 20 30 EEEDHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001438376681 1090856505 /nfs/dbraw/zinc/85/65/05/1090856505.db2.gz UQRWHJZWTJXWIV-AEFFLSMTSA-N 1 3 348.466 2.268 20 30 EEEDHO C[C@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccc(C#N)s3)CCC2)C1 ZINC001440339830 1093487126 /nfs/dbraw/zinc/48/71/26/1093487126.db2.gz NZBAZDYIRKJUTL-AWEZNQCLSA-N 1 3 346.500 2.090 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001440359677 1093519951 /nfs/dbraw/zinc/51/99/51/1093519951.db2.gz PBGZAVYIWRUEDY-BZUAXINKSA-N 1 3 327.900 2.488 20 30 EEEDHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)N(C)C ZINC001447319645 1102441589 /nfs/dbraw/zinc/44/15/89/1102441589.db2.gz HTBDQZNGXSTAJC-MOPGFXCFSA-N 1 3 342.487 2.369 20 30 EEEDHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N(C)C ZINC001447319645 1102441592 /nfs/dbraw/zinc/44/15/92/1102441592.db2.gz HTBDQZNGXSTAJC-MOPGFXCFSA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001507129888 1115124098 /nfs/dbraw/zinc/12/40/98/1115124098.db2.gz YWXHOXWJFOBZDS-MRXNPFEDSA-N 1 3 344.503 2.473 20 30 EEEDHO Cn1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1C#N ZINC000191580726 239196902 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C=C(C)CNC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000264086353 464281264 /nfs/dbraw/zinc/28/12/64/464281264.db2.gz JNLJVNKBORDYBF-UHFFFAOYSA-N 1 3 343.519 2.065 20 30 EEEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330419512 465652105 /nfs/dbraw/zinc/65/21/05/465652105.db2.gz GACIKRVHGXBDRX-DOTOQJQBSA-N 1 3 334.508 2.095 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000417058138 466767750 /nfs/dbraw/zinc/76/77/50/466767750.db2.gz DQHGYRWONBYHDN-ZWKOTPCHSA-N 1 3 336.524 2.455 20 30 EEEDHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424153244 466992050 /nfs/dbraw/zinc/99/20/50/466992050.db2.gz JVTVZUNSRIATPI-QAPCUYQASA-N 1 3 328.460 2.349 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](C)CC)CC1 ZINC001021469465 676117771 /nfs/dbraw/zinc/11/77/71/676117771.db2.gz DEARVPDTMNERIO-VOBGVNJCSA-N 1 3 345.531 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)CC)CC1 ZINC001021469465 676117772 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342.487 2.227 20 30 EEEDHO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3CC)C[C@@]2(C)C1 ZINC000982833416 681356319 /nfs/dbraw/zinc/35/63/19/681356319.db2.gz KHENMGUESMGZAO-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3CC)C[C@@]2(C)C1 ZINC000982833416 681356321 /nfs/dbraw/zinc/35/63/21/681356321.db2.gz KHENMGUESMGZAO-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814638 681462229 /nfs/dbraw/zinc/46/22/29/681462229.db2.gz UTQMFWQIVFQZPW-SFHVURJKSA-N 1 3 327.472 2.356 20 30 EEEDHO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001024814638 681462230 /nfs/dbraw/zinc/46/22/30/681462230.db2.gz UTQMFWQIVFQZPW-SFHVURJKSA-N 1 3 327.472 2.356 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Br)s1 ZINC000261969629 682697316 /nfs/dbraw/zinc/69/73/16/682697316.db2.gz CQWYUGYUHLSMPA-SNVBAGLBSA-N 1 3 345.310 2.399 20 30 EEEDHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001027332421 687514658 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EEEDHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001262562444 1322323964 /nfs/dbraw/zinc/32/39/64/1322323964.db2.gz AVPPLKLVPMFBCO-MDZRGWNJSA-N 1 3 331.460 2.071 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452837 1323142916 /nfs/dbraw/zinc/14/29/16/1323142916.db2.gz RSCPBGUSBPWNET-ZWKOTPCHSA-N 1 3 333.451 2.238 20 30 EEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643842 1371043976 /nfs/dbraw/zinc/04/39/76/1371043976.db2.gz SOARKZVXYVTUNC-FVQBIDKESA-N 1 3 327.900 2.155 20 30 EEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643842 1371043982 /nfs/dbraw/zinc/04/39/82/1371043982.db2.gz SOARKZVXYVTUNC-FVQBIDKESA-N 1 3 327.900 2.155 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001374384673 1376755495 /nfs/dbraw/zinc/75/54/95/1376755495.db2.gz NNMGMKAGCNAYJC-PBHICJAKSA-N 1 3 348.516 2.288 20 30 EEEDHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)c(C#N)c2)CCC1)N(C)C 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MRXXUSFAXAUDNT-QWHCGFSZSA-N 1 3 334.302 2.108 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC000998266061 792396249 /nfs/dbraw/zinc/39/62/49/792396249.db2.gz HIRIBUPZWSZVCS-QWHCGFSZSA-N 1 3 333.398 2.026 20 30 EEEDHO CC#CCN1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992374723 793867432 /nfs/dbraw/zinc/86/74/32/793867432.db2.gz YFIXOSCFPHFTKR-AZUAARDMSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CCN1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992374730 793867729 /nfs/dbraw/zinc/86/77/29/793867729.db2.gz YFIXOSCFPHFTKR-QUCCMNQESA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902896 796441762 /nfs/dbraw/zinc/44/17/62/796441762.db2.gz RQHGGKKVIRAGSO-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902896 796441764 /nfs/dbraw/zinc/44/17/64/796441764.db2.gz RQHGGKKVIRAGSO-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO 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3 325.460 2.091 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(C)C)C23CCC3)CC1 ZINC001078819205 797024134 /nfs/dbraw/zinc/02/41/34/797024134.db2.gz JZJPZEKJFABBDB-MSOLQXFVSA-N 1 3 331.504 2.005 20 30 EEEDHO C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099300023 797655411 /nfs/dbraw/zinc/65/54/11/797655411.db2.gz YTIIFVCSSWMEAH-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099300023 797655414 /nfs/dbraw/zinc/65/54/14/797655414.db2.gz YTIIFVCSSWMEAH-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382776 798287317 /nfs/dbraw/zinc/28/73/17/798287317.db2.gz UXUMLSLOZONBQF-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089382776 798287323 /nfs/dbraw/zinc/28/73/23/798287323.db2.gz UXUMLSLOZONBQF-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]Cc2c(C)cccc2C)CC1 ZINC001176926664 798631159 /nfs/dbraw/zinc/63/11/59/798631159.db2.gz SCGYPMNQJAMJBT-UHFFFAOYSA-N 1 3 341.499 2.245 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176986111 798674339 /nfs/dbraw/zinc/67/43/39/798674339.db2.gz FAYIWTDCNPTNRM-SFHVURJKSA-N 1 3 346.450 2.168 20 30 EEEDHO C=C(C)CN1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100071557 802822373 /nfs/dbraw/zinc/82/23/73/802822373.db2.gz GAYUPFBVOKRZKY-QZTJIDSGSA-N 1 3 339.524 2.016 20 30 EEEDHO CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780510 804502450 /nfs/dbraw/zinc/50/24/50/804502450.db2.gz DSIQZRGASRCDEX-OTWHNJEPSA-N 1 3 333.520 2.491 20 30 EEEDHO C[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)CN1C(=O)CCC[NH+](C)C ZINC001441831697 1095890290 /nfs/dbraw/zinc/89/02/90/1095890290.db2.gz FJHPLHFWAKRMJT-WMLDXEAASA-N 1 3 346.450 2.118 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001442198553 1096478179 /nfs/dbraw/zinc/47/81/79/1096478179.db2.gz HAPHTQIIXGLJSC-GJZGRUSLSA-N 1 3 348.516 2.479 20 30 EEEDHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C#N)cc1 ZINC001442942573 1097354770 /nfs/dbraw/zinc/35/47/70/1097354770.db2.gz SYOXICAKGWWIBS-UHFFFAOYSA-N 1 3 342.487 2.371 20 30 EEEDHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C#N)cc1 ZINC001442942573 1097354771 /nfs/dbraw/zinc/35/47/71/1097354771.db2.gz SYOXICAKGWWIBS-UHFFFAOYSA-N 1 3 342.487 2.371 20 30 EEEDHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001480596384 1100444886 /nfs/dbraw/zinc/44/48/86/1100444886.db2.gz JJTWMOAQVDTVBI-AWEZNQCLSA-N 1 3 334.489 2.090 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001496371137 1100964680 /nfs/dbraw/zinc/96/46/80/1100964680.db2.gz YINGSIWYEFOFRL-VQIMIIECSA-N 1 3 342.487 2.227 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000051235989 201126027 /nfs/dbraw/zinc/12/60/27/201126027.db2.gz BVAOTCRUJPUISP-UHFFFAOYSA-N 1 3 341.459 2.238 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000491809149 246162240 /nfs/dbraw/zinc/16/22/40/246162240.db2.gz WZDCDKWYUVKNSM-ROUUACIJSA-N 1 3 341.499 2.394 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491815643 533147759 /nfs/dbraw/zinc/14/77/59/533147759.db2.gz VEHLWRXFZSUKNL-NRFANRHFSA-N 1 3 339.483 2.112 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491815643 533147766 /nfs/dbraw/zinc/14/77/66/533147766.db2.gz VEHLWRXFZSUKNL-NRFANRHFSA-N 1 3 339.483 2.112 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000074877494 462649141 /nfs/dbraw/zinc/64/91/41/462649141.db2.gz XERSNHUTYVWFRZ-QGZVFWFLSA-N 1 3 334.508 2.010 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074877494 462649144 /nfs/dbraw/zinc/64/91/44/462649144.db2.gz XERSNHUTYVWFRZ-QGZVFWFLSA-N 1 3 334.508 2.010 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000491296293 468343792 /nfs/dbraw/zinc/34/37/92/468343792.db2.gz KXHXZUGBQXGQRQ-UHFFFAOYSA-N 1 3 348.535 2.239 20 30 EEEDHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000268982945 463835601 /nfs/dbraw/zinc/83/56/01/463835601.db2.gz RPCCTTBLRQRBKP-MSOLQXFVSA-N 1 3 329.444 2.034 20 30 EEEDHO C#Cc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195342426 464044131 /nfs/dbraw/zinc/04/41/31/464044131.db2.gz YVLHANASFNMEOE-UHFFFAOYSA-N 1 3 340.471 2.348 20 30 EEEDHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000281456271 464460894 /nfs/dbraw/zinc/46/08/94/464460894.db2.gz FYNASECKHITYRY-QYZOEREBSA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000281456271 464460900 /nfs/dbraw/zinc/46/09/00/464460900.db2.gz FYNASECKHITYRY-QYZOEREBSA-N 1 3 336.439 2.183 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000247588454 464696929 /nfs/dbraw/zinc/69/69/29/464696929.db2.gz JGVTVYHAEQTTMM-IRXDYDNUSA-N 1 3 336.524 2.447 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000247588454 464696936 /nfs/dbraw/zinc/69/69/36/464696936.db2.gz JGVTVYHAEQTTMM-IRXDYDNUSA-N 1 3 336.524 2.447 20 30 EEEDHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418445467 467112351 /nfs/dbraw/zinc/11/23/51/467112351.db2.gz NFAWAOCMBJWSGW-SFHVURJKSA-N 1 3 345.491 2.149 20 30 EEEDHO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000598722091 468973390 /nfs/dbraw/zinc/97/33/90/468973390.db2.gz YYQHETVAQGCWAI-LJQANCHMSA-N 1 3 345.487 2.034 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)C(C)C ZINC000572847601 469008513 /nfs/dbraw/zinc/00/85/13/469008513.db2.gz IMYJFFSRJDVJRU-GOSISDBHSA-N 1 3 336.524 2.455 20 30 EEEDHO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(OCCN(C)C)cc1 ZINC000610812971 469078853 /nfs/dbraw/zinc/07/88/53/469078853.db2.gz QWLVXCPPEFRJSF-MRXNPFEDSA-N 1 3 330.476 2.266 20 30 EEEDHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)CN1CCCCC1 ZINC000574032832 469248169 /nfs/dbraw/zinc/24/81/69/469248169.db2.gz YFJJPUHBUOXOKW-IEBWSBKVSA-N 1 3 345.487 2.204 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000612968436 469593619 /nfs/dbraw/zinc/59/36/19/469593619.db2.gz ZIJMLLCKMBYIGQ-IAGOWNOFSA-N 1 3 334.508 2.126 20 30 EEEDHO C=C(CN(C)C)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000764585513 577739453 /nfs/dbraw/zinc/73/94/53/577739453.db2.gz IRDJLUYIMLGIFQ-LJQANCHMSA-N 1 3 329.488 2.475 20 30 EEEDHO C=C(CN(C)C)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000764585513 577739454 /nfs/dbraw/zinc/73/94/54/577739454.db2.gz IRDJLUYIMLGIFQ-LJQANCHMSA-N 1 3 329.488 2.475 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001022713821 678307470 /nfs/dbraw/zinc/30/74/70/678307470.db2.gz MWAGFVVHBQOGQX-ZENOOKHLSA-N 1 3 331.863 2.188 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001022713821 678307472 /nfs/dbraw/zinc/30/74/72/678307472.db2.gz MWAGFVVHBQOGQX-ZENOOKHLSA-N 1 3 331.863 2.188 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3)C2)CC1 ZINC001023128302 679136226 /nfs/dbraw/zinc/13/62/26/679136226.db2.gz YBVPXNQZAUILOS-FFZOFVMBSA-N 1 3 339.483 2.330 20 30 EEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414664 679297917 /nfs/dbraw/zinc/29/79/17/679297917.db2.gz XXEHUCJZEHZBMI-HKUYNNGSSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414664 679297919 /nfs/dbraw/zinc/29/79/19/679297919.db2.gz XXEHUCJZEHZBMI-HKUYNNGSSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@]2(C)C1 ZINC000982832370 681351133 /nfs/dbraw/zinc/35/11/33/681351133.db2.gz XOJKHAICKIDZTI-LFGUQSLTSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001029004303 682650244 /nfs/dbraw/zinc/65/02/44/682650244.db2.gz VIFWCNOLPFOULJ-IBGZPJMESA-N 1 3 343.515 2.270 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001029004303 682650246 /nfs/dbraw/zinc/65/02/46/682650246.db2.gz VIFWCNOLPFOULJ-IBGZPJMESA-N 1 3 343.515 2.270 20 30 EEEDHO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001026427935 684632961 /nfs/dbraw/zinc/63/29/61/684632961.db2.gz WXEAQQADRVGISI-YTQUADARSA-N 1 3 327.472 2.374 20 30 EEEDHO CO[C@@H]1C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1(C)C ZINC000262690364 687964470 /nfs/dbraw/zinc/96/44/70/687964470.db2.gz CBOJYRAHZICCFI-ZWKOTPCHSA-N 1 3 344.503 2.369 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635919 692847006 /nfs/dbraw/zinc/84/70/06/692847006.db2.gz BFOFSVHYMULJPI-LJQANCHMSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCC3)CC2(C)C)CC1 ZINC000977635919 692847011 /nfs/dbraw/zinc/84/70/11/692847011.db2.gz BFOFSVHYMULJPI-LJQANCHMSA-N 1 3 345.531 2.348 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943518903 1192329531 /nfs/dbraw/zinc/32/95/31/1192329531.db2.gz UDULCCUNQKWLSU-VQIMIIECSA-N 1 3 327.472 2.212 20 30 EEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001088382293 1186755050 /nfs/dbraw/zinc/75/50/50/1186755050.db2.gz YMPWNRLCYYXVLN-HOCLYGCPSA-N 1 3 327.900 2.442 20 30 EEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001088382293 1186755053 /nfs/dbraw/zinc/75/50/53/1186755053.db2.gz YMPWNRLCYYXVLN-HOCLYGCPSA-N 1 3 327.900 2.442 20 30 EEEDHO CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549285 1187223755 /nfs/dbraw/zinc/22/37/55/1187223755.db2.gz KSWLXNIFQKRMIT-SFHVURJKSA-N 1 3 335.536 2.450 20 30 EEEDHO C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)CN(C)CCC)CCO2 ZINC001105485687 1188102024 /nfs/dbraw/zinc/10/20/24/1188102024.db2.gz VDDBSUOAKNMTHM-UHFFFAOYSA-N 1 3 337.508 2.034 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)CC1 ZINC001168308441 1188279606 /nfs/dbraw/zinc/27/96/06/1188279606.db2.gz RQDBBBRWVCGFQY-UHFFFAOYSA-N 1 3 345.531 2.398 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483733932 1190846722 /nfs/dbraw/zinc/84/67/22/1190846722.db2.gz KBGSHDPWDAIEJV-SFHVURJKSA-N 1 3 340.471 2.169 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001483733932 1190846724 /nfs/dbraw/zinc/84/67/24/1190846724.db2.gz KBGSHDPWDAIEJV-SFHVURJKSA-N 1 3 340.471 2.169 20 30 EEEDHO C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608325 1199700000 /nfs/dbraw/zinc/70/00/00/1199700000.db2.gz UOUSCSYOTBGWCP-QWHCGFSZSA-N 1 3 346.313 2.252 20 30 EEEDHO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000104174595 1204612557 /nfs/dbraw/zinc/61/25/57/1204612557.db2.gz QXQFIPZFRJGDEX-INIZCTEOSA-N 1 3 331.508 2.420 20 30 EEEDHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(C#N)nc3)(C1)CCC2 ZINC001275294841 1205300633 /nfs/dbraw/zinc/30/06/33/1205300633.db2.gz AAAJYYGKIXOQAW-RBUKOAKNSA-N 1 3 327.476 2.039 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908777 1208771470 /nfs/dbraw/zinc/77/14/70/1208771470.db2.gz VHCIPYCEFJFAAS-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642670 1209269128 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EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CC3(CCC3)C2)CC1 ZINC001039042694 1230259105 /nfs/dbraw/zinc/25/91/05/1230259105.db2.gz WEMIUCBFGCADEB-IBGZPJMESA-N 1 3 343.515 2.102 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001040746241 1231355758 /nfs/dbraw/zinc/35/57/58/1231355758.db2.gz XOTUJIDMLFLBPH-OALUTQOASA-N 1 3 343.515 2.341 20 30 EEEDHO CC#CCN1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001040746241 1231355760 /nfs/dbraw/zinc/35/57/60/1231355760.db2.gz XOTUJIDMLFLBPH-OALUTQOASA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041842142 1231726568 /nfs/dbraw/zinc/72/65/68/1231726568.db2.gz BTKZAJYUEYKXCO-OAQYLSRUSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041842142 1231726570 /nfs/dbraw/zinc/72/65/70/1231726570.db2.gz BTKZAJYUEYKXCO-OAQYLSRUSA-N 1 3 339.483 2.310 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 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CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001101574752 1245979201 /nfs/dbraw/zinc/97/92/01/1245979201.db2.gz BLYTWSNIGNJTQO-QGZVFWFLSA-N 1 3 333.520 2.206 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001054145229 1247517078 /nfs/dbraw/zinc/51/70/78/1247517078.db2.gz NGQAKARLSJCDMS-PZJWPPBQSA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001054145229 1247517084 /nfs/dbraw/zinc/51/70/84/1247517084.db2.gz NGQAKARLSJCDMS-PZJWPPBQSA-N 1 3 343.515 2.341 20 30 EEEDHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001054244999 1247859699 /nfs/dbraw/zinc/85/96/99/1247859699.db2.gz MNBNVPHEBSSGRD-PZJWPPBQSA-N 1 3 345.531 2.445 20 30 EEEDHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001491371496 1259012797 /nfs/dbraw/zinc/01/27/97/1259012797.db2.gz SGPPISMTUOTQKZ-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO CCCCCCCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213369181 1295994463 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CC(C)N(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C(C)(C)C[NH3+] ZINC001163189393 1321062978 /nfs/dbraw/zinc/06/29/78/1321062978.db2.gz QWIMCSSLIJYMOU-ZDUSSCGKSA-N 1 3 347.463 2.378 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCC)C23CCC3)CC1 ZINC001203769901 1321956961 /nfs/dbraw/zinc/95/69/61/1321956961.db2.gz CKVNNFLDGLOHEO-QZTJIDSGSA-N 1 3 331.504 2.149 20 30 EEEDHO C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001205415913 1323121384 /nfs/dbraw/zinc/12/13/84/1323121384.db2.gz QPUUCSOTGFTYHW-OAHLLOKOSA-N 1 3 333.879 2.247 20 30 EEEDHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209631610 1324994423 /nfs/dbraw/zinc/99/44/23/1324994423.db2.gz FSPBPEGMDHTBFA-QUCCMNQESA-N 1 3 339.483 2.103 20 30 EEEDHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001209631610 1324994428 /nfs/dbraw/zinc/99/44/28/1324994428.db2.gz FSPBPEGMDHTBFA-QUCCMNQESA-N 1 3 339.483 2.103 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC001210751118 1325415538 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EEEDHO CN(CC(C)(C)C[NH2+]Cc1ccc(C#N)s1)C(=O)Cc1c[nH]cn1 ZINC001377964737 1379602303 /nfs/dbraw/zinc/60/23/03/1379602303.db2.gz GRJHLRVZEXRAJQ-UHFFFAOYSA-N 1 3 345.472 2.160 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1ccc(C#N)cc1F)[NH+](C)C ZINC001378838706 1380204324 /nfs/dbraw/zinc/20/43/24/1380204324.db2.gz AMEOZXLKGILTTM-RDTXWAMCSA-N 1 3 348.466 2.220 20 30 EEEDHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)N(C)C ZINC001379866163 1380922641 /nfs/dbraw/zinc/92/26/41/1380922641.db2.gz DVMAGCTXVCXJGC-OALUTQOASA-N 1 3 342.487 2.129 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001382358817 1382085892 /nfs/dbraw/zinc/08/58/92/1382085892.db2.gz URIJCOMIVUPHLG-LPHOPBHVSA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001382358817 1382085898 /nfs/dbraw/zinc/08/58/98/1382085898.db2.gz URIJCOMIVUPHLG-LPHOPBHVSA-N 1 3 342.487 2.275 20 30 EEEDHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001402853173 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EEEDHO CN(CC(=O)NCCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001751990505 1406168052 /nfs/dbraw/zinc/16/80/52/1406168052.db2.gz YKBFKKSFNPOAIZ-UHFFFAOYSA-N 1 3 346.450 2.120 20 30 EEEDHO C=CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001075411083 759384625 /nfs/dbraw/zinc/38/46/25/759384625.db2.gz MSRHXFUGNHFPFD-MSOLQXFVSA-N 1 3 349.519 2.033 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454086 760708978 /nfs/dbraw/zinc/70/89/78/760708978.db2.gz KTWKWOTZRZMSLM-PXNSSMCTSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075454086 760708988 /nfs/dbraw/zinc/70/89/88/760708988.db2.gz KTWKWOTZRZMSLM-PXNSSMCTSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211615659 761130010 /nfs/dbraw/zinc/13/00/10/761130010.db2.gz AIGCIXMFWZHEIM-RBUKOAKNSA-N 1 3 339.483 2.078 20 30 EEEDHO C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681711 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C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC=C)CC3)CC1 ZINC000992506687 794447004 /nfs/dbraw/zinc/44/70/04/794447004.db2.gz JSQFJMQIJKEWPA-QUCCMNQESA-N 1 3 329.488 2.021 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC=C)CC3)CC1 ZINC000992506687 794447008 /nfs/dbraw/zinc/44/70/08/794447008.db2.gz JSQFJMQIJKEWPA-QUCCMNQESA-N 1 3 329.488 2.021 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1F ZINC001079298817 794569154 /nfs/dbraw/zinc/56/91/54/794569154.db2.gz HXZKZMJFHMUGNM-UHOSZYNNSA-N 1 3 347.478 2.482 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1)N(C)C ZINC000999493362 794597040 /nfs/dbraw/zinc/59/70/40/794597040.db2.gz DXSIIYXFQAYQJW-SJLPKXTDSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCN3C(C)C)CC2)CC1 ZINC001000151513 795355713 /nfs/dbraw/zinc/35/57/13/795355713.db2.gz XJRNJRTWQIPGSU-SFHVURJKSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001001756667 797175299 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C#CCN1CCC(C(=O)N[C@H](C)CCCC[NH2+]CC(=C)Cl)CC1 ZINC001176747207 798547448 /nfs/dbraw/zinc/54/74/48/798547448.db2.gz VIBMMXVOTIJCHO-MRXNPFEDSA-N 1 3 339.911 2.349 20 30 EEEDHO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084998025 798600608 /nfs/dbraw/zinc/60/06/08/798600608.db2.gz OLFUUGJWFNMDMN-NEWSRXKRSA-N 1 3 331.504 2.360 20 30 EEEDHO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084998025 798600609 /nfs/dbraw/zinc/60/06/09/798600609.db2.gz OLFUUGJWFNMDMN-NEWSRXKRSA-N 1 3 331.504 2.360 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176986001 798674208 /nfs/dbraw/zinc/67/42/08/798674208.db2.gz AUEOBTCJAJQDPO-INIZCTEOSA-N 1 3 334.489 2.090 20 30 EEEDHO CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585859 806695281 /nfs/dbraw/zinc/69/52/81/806695281.db2.gz VUJXSFSLBDEWGZ-NSHGMRRFSA-N 1 3 331.504 2.102 20 30 EEEDHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)CNCc1ccccc1C#N ZINC001182486799 801225449 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346.450 2.166 20 30 EEEDHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001494995508 1104637453 /nfs/dbraw/zinc/63/74/53/1104637453.db2.gz VHVDTBKPIIUBNK-CYBMUJFWSA-N 1 3 334.489 2.088 20 30 EEEDHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC001498770791 1108067733 /nfs/dbraw/zinc/06/77/33/1108067733.db2.gz QZFVXRTWFXKFLZ-LJQANCHMSA-N 1 3 340.471 2.027 20 30 EEEDHO Cc1cnc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000329244137 539769644 /nfs/dbraw/zinc/76/96/44/539769644.db2.gz POVPWAILYFYTFP-AWEZNQCLSA-N 1 3 349.479 2.106 20 30 EEEDHO CCN1CCN(CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000075800668 462758844 /nfs/dbraw/zinc/75/88/44/462758844.db2.gz HIIOOPNMNFKNHN-UHFFFAOYSA-N 1 3 343.519 2.154 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000171742024 463918045 /nfs/dbraw/zinc/91/80/45/463918045.db2.gz ODKPMRQETTVVLR-SFHVURJKSA-N 1 3 334.508 2.297 20 30 EEEDHO C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262487089 464030813 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[NH2+]=C(NCCCN1CCC(O)CC1)Nc1cccc2c1CCCC2 ZINC000267343891 464927874 /nfs/dbraw/zinc/92/78/74/464927874.db2.gz TYCYULWZCMMHQT-UHFFFAOYSA-N 1 3 330.476 2.139 20 30 EEEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000352429764 465527126 /nfs/dbraw/zinc/52/71/26/465527126.db2.gz BXARFBQXSRGOLQ-ZCNNSNEGSA-N 1 3 339.483 2.227 20 30 EEEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000352429764 465527134 /nfs/dbraw/zinc/52/71/34/465527134.db2.gz BXARFBQXSRGOLQ-ZCNNSNEGSA-N 1 3 339.483 2.227 20 30 EEEDHO C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368141274 466583191 /nfs/dbraw/zinc/58/31/91/466583191.db2.gz DDPNYEOFTIJOST-GOSISDBHSA-N 1 3 325.472 2.356 20 30 EEEDHO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415885704 466715820 /nfs/dbraw/zinc/71/58/20/466715820.db2.gz SMGRWYABTBNHOO-UHFFFAOYSA-N 1 3 329.448 2.032 20 30 EEEDHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388478 466735690 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EEEDHO C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326652 675790352 /nfs/dbraw/zinc/79/03/52/675790352.db2.gz UVTVVHBTTGCPOD-APWZRJJASA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C[C@@H](C)CC)CC1 ZINC001024812726 681465108 /nfs/dbraw/zinc/46/51/08/681465108.db2.gz RVNGFQBVAFJQPD-HKUYNNGSSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001024812726 681465112 /nfs/dbraw/zinc/46/51/12/681465112.db2.gz RVNGFQBVAFJQPD-HKUYNNGSSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586109 683044408 /nfs/dbraw/zinc/04/44/08/683044408.db2.gz WECKVEHDDLOKNA-IEBWSBKVSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627624 683153774 /nfs/dbraw/zinc/15/37/74/683153774.db2.gz AJQBPNDPGFWFEA-FXAWDEMLSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627624 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349.906 2.004 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC001752920347 1190906157 /nfs/dbraw/zinc/90/61/57/1190906157.db2.gz BMEPUMZJFIWJMJ-LXPRWKDFSA-N 1 3 333.520 2.252 20 30 EEEDHO C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337403 1200761264 /nfs/dbraw/zinc/76/12/64/1200761264.db2.gz NJXZLPJNROGHGC-LPHOPBHVSA-N 1 3 327.472 2.069 20 30 EEEDHO C#CCC[NH+]1CCC(N(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC001006445033 1209760693 /nfs/dbraw/zinc/76/06/93/1209760693.db2.gz YQHANOLERXVDJP-UHFFFAOYSA-N 1 3 327.472 2.308 20 30 EEEDHO CCCCNC(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000303879117 1213918002 /nfs/dbraw/zinc/91/80/02/1213918002.db2.gz GMDGPENKWOFNBI-GOSISDBHSA-N 1 3 331.508 2.070 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961377982 1217165401 /nfs/dbraw/zinc/16/54/01/1217165401.db2.gz JJRATWNIPVTAPF-RTBURBONSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000961377982 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EEEDHO N#Cc1ccc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001254052561 1317992484 /nfs/dbraw/zinc/99/24/84/1317992484.db2.gz OKODACIUNOKLHM-UHFFFAOYSA-N 1 3 336.439 2.070 20 30 EEEDHO Cc1ccc(CC#N)c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158589479 1319323287 /nfs/dbraw/zinc/32/32/87/1319323287.db2.gz SFQAJVYZOPUGRM-UHFFFAOYSA-N 1 3 327.476 2.109 20 30 EEEDHO CN(CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC001166744369 1321779631 /nfs/dbraw/zinc/77/96/31/1321779631.db2.gz SSTYZUNDZWKLBO-UHFFFAOYSA-N 1 3 348.466 2.271 20 30 EEEDHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001491675038 1330222216 /nfs/dbraw/zinc/22/22/16/1330222216.db2.gz OMDNFRCKSREYEC-OAHLLOKOSA-N 1 3 348.516 2.480 20 30 EEEDHO CN(CC(=O)N1CCC([NH2+]CC#Cc2ccccc2)CC1)C1CCC1 ZINC001201065963 1368775504 /nfs/dbraw/zinc/77/55/04/1368775504.db2.gz DBEMWSZWMVVEJQ-UHFFFAOYSA-N 1 3 339.483 2.103 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2([NH2+]CC(C)C)CCCCC2)CC1 ZINC001120197001 1371813527 /nfs/dbraw/zinc/81/35/27/1371813527.db2.gz 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C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529929 770345738 /nfs/dbraw/zinc/34/57/38/770345738.db2.gz VWHLKCMIBRWXNP-HFTRVMKXSA-N 1 3 339.911 2.299 20 30 EEEDHO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980231675 774155498 /nfs/dbraw/zinc/15/54/98/774155498.db2.gz NNXINFJEZGXGQI-BBWFWOEESA-N 1 3 330.476 2.444 20 30 EEEDHO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980231675 774155499 /nfs/dbraw/zinc/15/54/99/774155499.db2.gz NNXINFJEZGXGQI-BBWFWOEESA-N 1 3 330.476 2.444 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001106909719 774757456 /nfs/dbraw/zinc/75/74/56/774757456.db2.gz KZMKKNVPOLFUAG-HUUCEWRRSA-N 1 3 348.516 2.146 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997587555 790357647 /nfs/dbraw/zinc/35/76/47/790357647.db2.gz VEUGRXWVHQONHV-PKOBYXMFSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997587555 790357659 /nfs/dbraw/zinc/35/76/59/790357659.db2.gz VEUGRXWVHQONHV-PKOBYXMFSA-N 1 3 345.531 2.491 20 30 EEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089820829 776963624 /nfs/dbraw/zinc/96/36/24/776963624.db2.gz PBULAVMPDSUIBY-XSLAGTTESA-N 1 3 331.504 2.216 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089820829 776963629 /nfs/dbraw/zinc/96/36/29/776963629.db2.gz PBULAVMPDSUIBY-XSLAGTTESA-N 1 3 331.504 2.216 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC000982321292 779714418 /nfs/dbraw/zinc/71/44/18/779714418.db2.gz JEWJEBAEHLCKES-OYRHEFFESA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@]2(C)C1 ZINC000982321292 779714422 /nfs/dbraw/zinc/71/44/22/779714422.db2.gz JEWJEBAEHLCKES-OYRHEFFESA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997726321 790884268 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2.250 20 30 EEEDHO C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CCCCCC)C2 ZINC001108780541 804502267 /nfs/dbraw/zinc/50/22/67/804502267.db2.gz FUJPKPIBLLQPQP-FHWLQOOXSA-N 1 3 333.520 2.491 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001129417382 810832090 /nfs/dbraw/zinc/83/20/90/810832090.db2.gz MSUHGNPPHXRZQN-AWEZNQCLSA-N 1 3 334.489 2.088 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(C#N)s1 ZINC001129417382 810832098 /nfs/dbraw/zinc/83/20/98/810832098.db2.gz MSUHGNPPHXRZQN-AWEZNQCLSA-N 1 3 334.489 2.088 20 30 EEEDHO CN(CCC[N@H+](C)Cc1cccc(C#N)c1)C(=O)CN(C)C1CCC1 ZINC001440436296 1093642566 /nfs/dbraw/zinc/64/25/66/1093642566.db2.gz YBNFHFZXOIYULM-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CN(C)C1CCC1 ZINC001440436296 1093642567 /nfs/dbraw/zinc/64/25/67/1093642567.db2.gz YBNFHFZXOIYULM-UHFFFAOYSA-N 1 3 342.487 2.323 20 30 EEEDHO C[NH+](C)CCCC(=O)NC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001499994898 1112571042 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EEEDHO C=CCCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001574908838 1403528949 /nfs/dbraw/zinc/52/89/49/1403528949.db2.gz XYNSDSDGZDGVJC-SFHVURJKSA-N 1 3 331.460 2.265 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449444 760423935 /nfs/dbraw/zinc/42/39/35/760423935.db2.gz JDXUUYGPSHRAIF-MJGOQNOKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075449444 760423941 /nfs/dbraw/zinc/42/39/41/760423941.db2.gz JDXUUYGPSHRAIF-MJGOQNOKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)[C@@H](C)C2)CC1 ZINC000948069223 770982194 /nfs/dbraw/zinc/98/21/94/770982194.db2.gz DMINGSABINYWAF-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)CC1 ZINC000948069223 770982205 /nfs/dbraw/zinc/98/22/05/770982205.db2.gz DMINGSABINYWAF-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070901 773473281 /nfs/dbraw/zinc/47/32/81/773473281.db2.gz SZWCLPDMZJDFMU-FXAWDEMLSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)CC1 ZINC000948070901 773473286 /nfs/dbraw/zinc/47/32/86/773473286.db2.gz SZWCLPDMZJDFMU-FXAWDEMLSA-N 1 3 345.531 2.491 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089858449 778465636 /nfs/dbraw/zinc/46/56/36/778465636.db2.gz AVOBTIRLTHXTIR-RDGPPVDQSA-N 1 3 345.531 2.463 20 30 EEEDHO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089858449 778465638 /nfs/dbraw/zinc/46/56/38/778465638.db2.gz AVOBTIRLTHXTIR-RDGPPVDQSA-N 1 3 345.531 2.463 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC000982299371 779625092 /nfs/dbraw/zinc/62/50/92/779625092.db2.gz DVGSZLUKIGLIAC-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC000982299371 779625096 /nfs/dbraw/zinc/62/50/96/779625096.db2.gz DVGSZLUKIGLIAC-YSIASYRMSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCC2)CC1 ZINC001146610144 791373656 /nfs/dbraw/zinc/37/36/56/791373656.db2.gz HWPOWCISFURLDN-DLBZAZTESA-N 1 3 333.520 2.395 20 30 EEEDHO C=CCN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998278210 792439444 /nfs/dbraw/zinc/43/94/44/792439444.db2.gz RQOQNCOUOVWMMF-KBPBESRZSA-N 1 3 347.425 2.416 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)CC1 ZINC001086882241 792892925 /nfs/dbraw/zinc/89/29/25/792892925.db2.gz IDIHYLVUZIYAAJ-PKOBYXMFSA-N 1 3 331.504 2.006 20 30 EEEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939626 793027767 /nfs/dbraw/zinc/02/77/67/793027767.db2.gz VZQBNENXVMVDAQ-OTWHNJEPSA-N 1 3 345.531 2.443 20 30 EEEDHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001086939626 793027772 /nfs/dbraw/zinc/02/77/72/793027772.db2.gz VZQBNENXVMVDAQ-OTWHNJEPSA-N 1 3 345.531 2.443 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001093381092 795120645 /nfs/dbraw/zinc/12/06/45/795120645.db2.gz GOJCLIYYKHQTAC-FXAWDEMLSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001093381092 795120649 /nfs/dbraw/zinc/12/06/49/795120649.db2.gz GOJCLIYYKHQTAC-FXAWDEMLSA-N 1 3 343.515 2.055 20 30 EEEDHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972040 797176283 /nfs/dbraw/zinc/17/62/83/797176283.db2.gz VXOMEJQWQOIEIR-OAGGEKHMSA-N 1 3 336.480 2.352 20 30 EEEDHO C[N@H+]1CCC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972040 797176290 /nfs/dbraw/zinc/17/62/90/797176290.db2.gz VXOMEJQWQOIEIR-OAGGEKHMSA-N 1 3 336.480 2.352 20 30 EEEDHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]Cc1ccccc1C#N ZINC001178045256 799228739 /nfs/dbraw/zinc/22/87/39/799228739.db2.gz HLXNLIDZGYVTHC-IBGZPJMESA-N 1 3 342.487 2.419 20 30 EEEDHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179534955 799962303 /nfs/dbraw/zinc/96/23/03/799962303.db2.gz ZTCMKZGHEABBLG-HBFSDRIKSA-N 1 3 339.483 2.101 20 30 EEEDHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001179534955 799962308 /nfs/dbraw/zinc/96/23/08/799962308.db2.gz ZTCMKZGHEABBLG-HBFSDRIKSA-N 1 3 339.483 2.101 20 30 EEEDHO CC#CC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179591227 799997725 /nfs/dbraw/zinc/99/77/25/799997725.db2.gz QBICYVZRWZPWNI-IBGZPJMESA-N 1 3 339.499 2.488 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736023 800899804 /nfs/dbraw/zinc/89/98/04/800899804.db2.gz GKFVATXKSWFVLX-CXAGYDPISA-N 1 3 327.900 2.297 20 30 EEEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC001129430742 810850361 /nfs/dbraw/zinc/85/03/61/810850361.db2.gz WWZKLWRANREHDW-QGZVFWFLSA-N 1 3 346.500 2.233 20 30 EEEDHO N#Cc1ccc(CNCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)s1 ZINC001129430742 810850369 /nfs/dbraw/zinc/85/03/69/810850369.db2.gz WWZKLWRANREHDW-QGZVFWFLSA-N 1 3 346.500 2.233 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CN(C)C(C)C)C1 ZINC001130450636 811683019 /nfs/dbraw/zinc/68/30/19/811683019.db2.gz RNYUZCYBNMTLCI-MRXNPFEDSA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CN(C)C(C)C)C1 ZINC001130450636 811683023 /nfs/dbraw/zinc/68/30/23/811683023.db2.gz RNYUZCYBNMTLCI-MRXNPFEDSA-N 1 3 347.507 2.122 20 30 EEEDHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1)N(C)C ZINC001438397728 1090885162 /nfs/dbraw/zinc/88/51/62/1090885162.db2.gz BPPDEGZBQZAYPN-INIZCTEOSA-N 1 3 348.516 2.479 20 30 EEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860372 292364166 /nfs/dbraw/zinc/36/41/66/292364166.db2.gz WMKJCYFCYAUYDD-GOSISDBHSA-N 1 3 343.475 2.438 20 30 EEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860372 292364167 /nfs/dbraw/zinc/36/41/67/292364167.db2.gz WMKJCYFCYAUYDD-GOSISDBHSA-N 1 3 343.475 2.438 20 30 EEEDHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000288520735 267078717 /nfs/dbraw/zinc/07/87/17/267078717.db2.gz TZINULPQSKKDNH-ATZDWAIDSA-N 1 3 336.439 2.326 20 30 EEEDHO N#Cc1cnn2cc(CNCCCCC[NH+]3CCCCC3)cnc12 ZINC000574757679 320054638 /nfs/dbraw/zinc/05/46/38/320054638.db2.gz XNCCBJNMYCLSPQ-UHFFFAOYSA-N 1 3 326.448 2.347 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000105139737 463440535 /nfs/dbraw/zinc/44/05/35/463440535.db2.gz YCUUMOLUASJFCX-ZWKOTPCHSA-N 1 3 336.524 2.421 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)cc1 ZINC000264070930 464279886 /nfs/dbraw/zinc/27/98/86/464279886.db2.gz GDDXFGRFTQGHPI-CYBMUJFWSA-N 1 3 326.391 2.177 20 30 EEEDHO C=C(C)CNC(=[NH2+])NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000264088802 464282216 /nfs/dbraw/zinc/28/22/16/464282216.db2.gz KGSIHUHRVHHQAR-UHFFFAOYSA-N 1 3 343.519 2.378 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1N1CCCC1 ZINC000285038788 464435330 /nfs/dbraw/zinc/43/53/30/464435330.db2.gz KHKSQVOWROLYNL-HNNXBMFYSA-N 1 3 347.482 2.315 20 30 EEEDHO Cc1c(C#N)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000338120850 465832327 /nfs/dbraw/zinc/83/23/27/465832327.db2.gz ULRXDCQXMBFEMC-UHFFFAOYSA-N 1 3 340.471 2.155 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000417068570 466770226 /nfs/dbraw/zinc/77/02/26/466770226.db2.gz SLAJJLWIDHVPAK-FGTMMUONSA-N 1 3 336.524 2.454 20 30 EEEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000424164033 466994026 /nfs/dbraw/zinc/99/40/26/466994026.db2.gz WGAFKTPVULUHKU-CEXWTWQISA-N 1 3 342.487 2.206 20 30 EEEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000424164039 466994293 /nfs/dbraw/zinc/99/42/93/466994293.db2.gz WGAFKTPVULUHKU-GBESFXJTSA-N 1 3 342.487 2.206 20 30 EEEDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](N)CCCC#N ZINC000515386423 467989776 /nfs/dbraw/zinc/98/97/76/467989776.db2.gz NJBLGCAJSQKGSW-GOSISDBHSA-N 1 3 343.475 2.168 20 30 EEEDHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000576391689 468164698 /nfs/dbraw/zinc/16/46/98/468164698.db2.gz VGDJRZXHXLWHSW-RBUKOAKNSA-N 1 3 345.487 2.202 20 30 EEEDHO C[NH+](C)CC[C@H](NC[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000600722504 468635018 /nfs/dbraw/zinc/63/50/18/468635018.db2.gz GLHRFAQADFIDMU-WMZOPIPTSA-N 1 3 333.476 2.254 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C(C)C ZINC000662681628 472203866 /nfs/dbraw/zinc/20/38/66/472203866.db2.gz KMIPVSMBJLQZPW-GOEBONIOSA-N 1 3 347.425 2.343 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)CC3)C2)CC1 ZINC001021090123 675715871 /nfs/dbraw/zinc/71/58/71/675715871.db2.gz MXOFOLHTHAPBKS-NOKIBDOBSA-N 1 3 345.531 2.395 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001023760613 679564982 /nfs/dbraw/zinc/56/49/82/679564982.db2.gz YAZKMHLQIIQFSE-XBMUEBEBSA-N 1 3 345.531 2.206 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001023760613 679564984 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2.235 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366443264 1373899849 /nfs/dbraw/zinc/89/98/49/1373899849.db2.gz XYWJHXOKXKGQRB-OALUTQOASA-N 1 3 342.487 2.417 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001375893350 1378116065 /nfs/dbraw/zinc/11/60/65/1378116065.db2.gz ODZLKLVHLQJDSU-KRWDZBQOSA-N 1 3 327.900 2.299 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001380981889 1381480439 /nfs/dbraw/zinc/48/04/39/1381480439.db2.gz MMGCEGCQLIBVMG-LJQANCHMSA-N 1 3 344.503 2.425 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001380981889 1381480443 /nfs/dbraw/zinc/48/04/43/1381480443.db2.gz MMGCEGCQLIBVMG-LJQANCHMSA-N 1 3 344.503 2.425 20 30 EEEDHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391895160 1389692330 /nfs/dbraw/zinc/69/23/30/1389692330.db2.gz QHCRPONMODYBAN-APWZRJJASA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccccc1C#N ZINC001401507401 1397414709 /nfs/dbraw/zinc/41/47/09/1397414709.db2.gz XPVBFOUEJJUHSW-MOPGFXCFSA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]1CNCc1ccccc1C#N ZINC001401507401 1397414716 /nfs/dbraw/zinc/41/47/16/1397414716.db2.gz XPVBFOUEJJUHSW-MOPGFXCFSA-N 1 3 342.487 2.275 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001425979068 1401828392 /nfs/dbraw/zinc/82/83/92/1401828392.db2.gz XVLOJPGEYFMGGM-APWZRJJASA-N 1 3 342.487 2.275 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211611550 761103596 /nfs/dbraw/zinc/10/35/96/761103596.db2.gz ZDWHTJHRCKMQNG-GBESFXJTSA-N 1 3 347.478 2.437 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779653 783196199 /nfs/dbraw/zinc/19/61/99/783196199.db2.gz SFXFERCQZMHVJX-QMCVQRASSA-N 1 3 339.911 2.107 20 30 EEEDHO C=C(Cl)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779653 783196205 /nfs/dbraw/zinc/19/62/05/783196205.db2.gz SFXFERCQZMHVJX-QMCVQRASSA-N 1 3 339.911 2.107 20 30 EEEDHO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089858447 778465672 /nfs/dbraw/zinc/46/56/72/778465672.db2.gz AVOBTIRLTHXTIR-MANSERQUSA-N 1 3 345.531 2.463 20 30 EEEDHO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089858447 778465676 /nfs/dbraw/zinc/46/56/76/778465676.db2.gz AVOBTIRLTHXTIR-MANSERQUSA-N 1 3 345.531 2.463 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729699 780114825 /nfs/dbraw/zinc/11/48/25/780114825.db2.gz HDAAONAUKGRJRU-RBUKOAKNSA-N 1 3 329.488 2.487 20 30 EEEDHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001088327206 783516726 /nfs/dbraw/zinc/51/67/26/783516726.db2.gz IALYCZZPQRARGC-HOTGVXAUSA-N 1 3 327.900 2.440 20 30 EEEDHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001112113080 790093462 /nfs/dbraw/zinc/09/34/62/790093462.db2.gz CELFLNFPVVQSQU-CHWSQXEVSA-N 1 3 333.398 2.026 20 30 EEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000998021769 791845869 /nfs/dbraw/zinc/84/58/69/791845869.db2.gz HMSKTHLKSFMNDL-RBUKOAKNSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000998021769 791845872 /nfs/dbraw/zinc/84/58/72/791845872.db2.gz HMSKTHLKSFMNDL-RBUKOAKNSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737535 792598076 /nfs/dbraw/zinc/59/80/76/792598076.db2.gz MTRBDMGOQBRLJM-GGPKGHCWSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737535 792598082 /nfs/dbraw/zinc/59/80/82/792598082.db2.gz MTRBDMGOQBRLJM-GGPKGHCWSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001086947352 793048480 /nfs/dbraw/zinc/04/84/80/793048480.db2.gz VVIFEUGJODSANW-KRWDZBQOSA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Cl)CNC1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000999670875 794805978 /nfs/dbraw/zinc/80/59/78/794805978.db2.gz FWENXVTWLQFFKK-UHFFFAOYSA-N 1 3 339.911 2.440 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383770 795127035 /nfs/dbraw/zinc/12/70/35/795127035.db2.gz OFIWXUAACHWDDD-FQEVSTJZSA-N 1 3 343.515 2.199 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383770 795127038 /nfs/dbraw/zinc/12/70/38/795127038.db2.gz OFIWXUAACHWDDD-FQEVSTJZSA-N 1 3 343.515 2.199 20 30 EEEDHO C=CCN1C(=O)CCC12CCN(C1CC[NH+](CCCOC)CC1)CC2 ZINC001172250305 796942607 /nfs/dbraw/zinc/94/26/07/796942607.db2.gz DAFBIEQNXSPMOI-UHFFFAOYSA-N 1 3 349.519 2.130 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994001370 797246467 /nfs/dbraw/zinc/24/64/67/797246467.db2.gz CPPLTSLSYGUCFX-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492796 798090818 /nfs/dbraw/zinc/09/08/18/798090818.db2.gz BRELNFLENYIEGZ-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(=C)C)[C@H]2C)CC1 ZINC000994492796 798090822 /nfs/dbraw/zinc/09/08/22/798090822.db2.gz BRELNFLENYIEGZ-HKUYNNGSSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCCC[NH2+]C[C@H](F)CC)CC1 ZINC001176739705 798543815 /nfs/dbraw/zinc/54/38/15/798543815.db2.gz YSDYFUZMSFVZQU-FUHWJXTLSA-N 1 3 339.499 2.344 20 30 EEEDHO C#CCC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179591291 799998419 /nfs/dbraw/zinc/99/84/19/799998419.db2.gz STIOOKLRFZLFAP-IBGZPJMESA-N 1 3 339.499 2.488 20 30 EEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639723 800951831 /nfs/dbraw/zinc/95/18/31/800951831.db2.gz UVWWWYCCFRMOOV-MOPGFXCFSA-N 1 3 349.519 2.129 20 30 EEEDHO C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639723 800951834 /nfs/dbraw/zinc/95/18/34/800951834.db2.gz UVWWWYCCFRMOOV-MOPGFXCFSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832373 801378974 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30 EEEDHO CN(CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC001439648321 1092572847 /nfs/dbraw/zinc/57/28/47/1092572847.db2.gz ZPOOJSPTUNQIFH-UHFFFAOYSA-N 1 3 342.487 2.275 20 30 EEEDHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001447258737 1102319342 /nfs/dbraw/zinc/31/93/42/1102319342.db2.gz NEWORLQUVYPSKS-UHFFFAOYSA-N 1 3 334.489 2.090 20 30 EEEDHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(C#N)s2)CCC1 ZINC001447258737 1102319354 /nfs/dbraw/zinc/31/93/54/1102319354.db2.gz NEWORLQUVYPSKS-UHFFFAOYSA-N 1 3 334.489 2.090 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1C ZINC001507329852 1115195522 /nfs/dbraw/zinc/19/55/22/1115195522.db2.gz WYURFPBJWRWUBP-KGLIPLIRSA-N 1 3 334.489 2.041 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396793 781944352 /nfs/dbraw/zinc/94/43/52/781944352.db2.gz WHZZJJRTQSVGJI-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396793 781944362 /nfs/dbraw/zinc/94/43/62/781944362.db2.gz WHZZJJRTQSVGJI-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CCN(CC=C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C(C)C ZINC000422830941 240251165 /nfs/dbraw/zinc/25/11/65/240251165.db2.gz JAKQHZPRPUGZDG-MTQWCTHYSA-N 1 3 335.536 2.432 20 30 EEEDHO Cc1cc(NNC2=CC(=O)N(C(=O)OC(C)(C)C)C2C)[nH+]c(C)n1 ZINC000496185947 247368304 /nfs/dbraw/zinc/36/83/04/247368304.db2.gz LWHCCTLLYXJPQG-SNVBAGLBSA-N 1 3 333.392 2.417 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCCC1 ZINC000104155703 276377878 /nfs/dbraw/zinc/37/78/78/276377878.db2.gz MNJLOHOJWUVWMD-HOTGVXAUSA-N 1 3 349.548 2.274 20 30 EEEDHO C[NH+](C)Cc1ccc(CNC[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000556750865 318641757 /nfs/dbraw/zinc/64/17/57/318641757.db2.gz UJYCATIKXYWAOR-IBGZPJMESA-N 1 3 339.439 2.149 20 30 EEEDHO COc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1C#N ZINC000564547442 319090331 /nfs/dbraw/zinc/09/03/31/319090331.db2.gz IQZCLRPRSSKYLO-IEBWSBKVSA-N 1 3 329.444 2.285 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1csc(-c2ccco2)n1 ZINC000123607843 463354848 /nfs/dbraw/zinc/35/48/48/463354848.db2.gz SDFTYWNMBLFSFA-CYBMUJFWSA-N 1 3 333.461 2.292 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1csc(Br)c1 ZINC000261969068 463913557 /nfs/dbraw/zinc/91/35/57/463913557.db2.gz CJBYUQXDGGEBAX-LLVKDONJSA-N 1 3 345.310 2.399 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279566708 464117155 /nfs/dbraw/zinc/11/71/55/464117155.db2.gz PHLNLWKKTHOZCR-RTBURBONSA-N 1 3 338.455 2.477 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279566708 464117158 /nfs/dbraw/zinc/11/71/58/464117158.db2.gz PHLNLWKKTHOZCR-RTBURBONSA-N 1 3 338.455 2.477 20 30 EEEDHO N#CC1(C[C@H](O)CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000528509514 467691669 /nfs/dbraw/zinc/69/16/69/467691669.db2.gz PWBVPLCJNPORMW-AQNXPRMDSA-N 1 3 339.483 2.495 20 30 EEEDHO N#CC1(C[C@H](O)CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000528509514 467691670 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EEEDHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001024038989 679772514 /nfs/dbraw/zinc/77/25/14/679772514.db2.gz LXIVWHXVWBYBOE-RTBURBONSA-N 1 3 342.487 2.227 20 30 EEEDHO C=C(C)CN1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262378148 685699881 /nfs/dbraw/zinc/69/98/81/685699881.db2.gz JWUQRCQIMRUDSK-KSZLIROESA-N 1 3 348.535 2.396 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2C[NH+](CCCC3CCCC3)C2)CC1 ZINC001032206501 1193087388 /nfs/dbraw/zinc/08/73/88/1193087388.db2.gz CFIDKLISFHYESX-UHFFFAOYSA-N 1 3 345.531 2.350 20 30 EEEDHO CC#CCN1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028215 1193332567 /nfs/dbraw/zinc/33/25/67/1193332567.db2.gz FYTFJGWNDWPZBX-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447682 1187206935 /nfs/dbraw/zinc/20/69/35/1187206935.db2.gz LXMDFUCMZWTIHW-TYKWCNGQSA-N 1 3 341.499 2.156 20 30 EEEDHO CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN(C)C(C)C)CCC1 ZINC001105579249 1188195008 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EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCCO1 ZINC001201557585 1368820110 /nfs/dbraw/zinc/82/01/10/1368820110.db2.gz IKFQDTCKMZLSMG-MSOLQXFVSA-N 1 3 337.508 2.034 20 30 EEEDHO C[C@@H](CN(C)Cc1ccc(C#N)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001379700563 1380830682 /nfs/dbraw/zinc/83/06/82/1380830682.db2.gz ADSGDQVKXPCISO-INIZCTEOSA-N 1 3 340.471 2.123 20 30 EEEDHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccc(C#N)c1 ZINC001390918327 1388876316 /nfs/dbraw/zinc/87/63/16/1388876316.db2.gz YXOVOBHFUPTJHE-SFHVURJKSA-N 1 3 330.476 2.083 20 30 EEEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001392973557 1390269743 /nfs/dbraw/zinc/26/97/43/1390269743.db2.gz CIKYKENNGYVVIH-MRXNPFEDSA-N 1 3 339.911 2.394 20 30 EEEDHO C=C(Cl)CN(CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001392973557 1390269748 /nfs/dbraw/zinc/26/97/48/1390269748.db2.gz CIKYKENNGYVVIH-MRXNPFEDSA-N 1 3 339.911 2.394 20 30 EEEDHO C=C(Cl)CNC[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001401068913 1396900915 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C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001088315469 783483577 /nfs/dbraw/zinc/48/35/77/783483577.db2.gz YICOCKNDNAAJDR-IRXDYDNUSA-N 1 3 339.911 2.442 20 30 EEEDHO C#CCN1CC2(C1)CCN(C(=O)[C@](C)(c1ccccc1)[NH+](C)C)CC2 ZINC001035837590 785260441 /nfs/dbraw/zinc/26/04/41/785260441.db2.gz LRZFQEMUICQSGB-FQEVSTJZSA-N 1 3 339.483 2.021 20 30 EEEDHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1)N(C)C ZINC000997854320 791286521 /nfs/dbraw/zinc/28/65/21/791286521.db2.gz BNSOSJMWISMRJC-LJQANCHMSA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001146584479 791336865 /nfs/dbraw/zinc/33/68/65/791336865.db2.gz SMTQXOPUUSLLSS-ZWKOTPCHSA-N 1 3 341.499 2.405 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001146591878 791360423 /nfs/dbraw/zinc/36/04/23/791360423.db2.gz HUYVDUFIHHVQFH-SJORKVTESA-N 1 3 347.478 2.390 20 30 EEEDHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001147823914 791982211 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C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538870 802309236 /nfs/dbraw/zinc/30/92/36/802309236.db2.gz CHPQKGBRUPXVNA-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538870 802309247 /nfs/dbraw/zinc/30/92/47/802309247.db2.gz CHPQKGBRUPXVNA-GOSISDBHSA-N 1 3 331.504 2.055 20 30 EEEDHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001130614955 811843370 /nfs/dbraw/zinc/84/33/70/811843370.db2.gz GKQJLPNYPFFKPE-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001130614955 811843378 /nfs/dbraw/zinc/84/33/78/811843378.db2.gz GKQJLPNYPFFKPE-UHFFFAOYSA-N 1 3 342.487 2.417 20 30 EEEDHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001438499833 1090994891 /nfs/dbraw/zinc/99/48/91/1090994891.db2.gz QLNAHFXBFPXYIB-AWEZNQCLSA-N 1 3 346.450 2.024 20 30 EEEDHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001439802936 1092760206 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ZINC001052957639 1245554629 /nfs/dbraw/zinc/55/46/29/1245554629.db2.gz IGGBCRLHWNYBFB-ROUUACIJSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC001052957639 1245554638 /nfs/dbraw/zinc/55/46/38/1245554638.db2.gz IGGBCRLHWNYBFB-ROUUACIJSA-N 1 3 337.483 2.050 20 30 EEEDHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042332 1247207495 /nfs/dbraw/zinc/20/74/95/1247207495.db2.gz VYBZECSEXFZRRH-NSISKUIASA-N 1 3 341.499 2.446 20 30 EEEDHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042332 1247207512 /nfs/dbraw/zinc/20/75/12/1247207512.db2.gz VYBZECSEXFZRRH-NSISKUIASA-N 1 3 341.499 2.446 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001185609068 1278716159 /nfs/dbraw/zinc/71/61/59/1278716159.db2.gz CNHKKLNBKUYVGH-UXHICEINSA-N 1 3 341.499 2.349 20 30 EEEDHO C#CC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185752880 1278786976 /nfs/dbraw/zinc/78/69/76/1278786976.db2.gz VUMWQNVKZAASHZ-SJORKVTESA-N 1 3 327.472 2.069 20 30 EEEDHO C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655901 1280998183 /nfs/dbraw/zinc/99/81/83/1280998183.db2.gz QYLMNARSBOUPHJ-OALUTQOASA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCOCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655901 1280998189 /nfs/dbraw/zinc/99/81/89/1280998189.db2.gz QYLMNARSBOUPHJ-OALUTQOASA-N 1 3 349.519 2.129 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001191019930 1281177549 /nfs/dbraw/zinc/17/75/49/1281177549.db2.gz RDGGVSKWBAPFOE-SFHVURJKSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001191019930 1281177554 /nfs/dbraw/zinc/17/75/54/1281177554.db2.gz RDGGVSKWBAPFOE-SFHVURJKSA-N 1 3 342.487 2.321 20 30 EEEDHO N#Cc1ccc(CNCCNC(=O)CCCC[NH+]2CCCC2)s1 ZINC001153314104 1293913830 /nfs/dbraw/zinc/91/38/30/1293913830.db2.gz FEADITVWMWJOTF-UHFFFAOYSA-N 1 3 334.489 2.092 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974137 1295056795 /nfs/dbraw/zinc/05/67/95/1295056795.db2.gz KYUDSRPIBKWNGY-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO N#Cc1ccc(-c2ccccc2NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001219271723 1297969326 /nfs/dbraw/zinc/96/93/26/1297969326.db2.gz VSUWRHLPGSIUDA-LJQANCHMSA-N 1 3 334.423 2.491 20 30 EEEDHO C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001099173181 1298951973 /nfs/dbraw/zinc/95/19/73/1298951973.db2.gz LLMJFHFIYQLONT-FPOVZHCZSA-N 1 3 339.483 2.356 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001099173181 1298951976 /nfs/dbraw/zinc/95/19/76/1298951976.db2.gz LLMJFHFIYQLONT-FPOVZHCZSA-N 1 3 339.483 2.356 20 30 EEEDHO C=C(C)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC001099274427 1298996583 /nfs/dbraw/zinc/99/65/83/1298996583.db2.gz ISNVAMLBEHTTOX-ZIAGYGMSSA-N 1 3 345.409 2.170 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCCCCF)C[C@H]32)CC1 ZINC001222043979 1299299770 /nfs/dbraw/zinc/29/97/70/1299299770.db2.gz KHZUKGYCRIJOEQ-RTBURBONSA-N 1 3 349.494 2.004 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCCCF)C[C@H]32)CC1 ZINC001222043979 1299299776 /nfs/dbraw/zinc/29/97/76/1299299776.db2.gz KHZUKGYCRIJOEQ-RTBURBONSA-N 1 3 349.494 2.004 20 30 EEEDHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001228647363 1302359037 /nfs/dbraw/zinc/35/90/37/1302359037.db2.gz RSJLUQKLYUGTMO-QRVBRYPASA-N 1 3 342.487 2.415 20 30 EEEDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(C#N)c(Cl)c1 ZINC001232114672 1304006119 /nfs/dbraw/zinc/00/61/19/1304006119.db2.gz QQXHDFGEHHOFKQ-ZWKOTPCHSA-N 1 3 332.879 2.422 20 30 EEEDHO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN2CCCCC2)cc1C#N ZINC001278153824 1306121104 /nfs/dbraw/zinc/12/11/04/1306121104.db2.gz IVNIVGLXBVXFGI-PMACEKPBSA-N 1 3 341.503 2.031 20 30 EEEDHO Cn1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN2CCCCC2)cc1C#N ZINC001278153824 1306121109 /nfs/dbraw/zinc/12/11/09/1306121109.db2.gz IVNIVGLXBVXFGI-PMACEKPBSA-N 1 3 341.503 2.031 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120004492 1309275114 /nfs/dbraw/zinc/27/51/14/1309275114.db2.gz BMICFBGAHXPFRB-HNNXBMFYSA-N 1 3 327.900 2.489 20 30 EEEDHO C=C(Cl)CNC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120004492 1309275121 /nfs/dbraw/zinc/27/51/21/1309275121.db2.gz BMICFBGAHXPFRB-HNNXBMFYSA-N 1 3 327.900 2.489 20 30 EEEDHO C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246309710 1310277761 /nfs/dbraw/zinc/27/77/61/1310277761.db2.gz WMAVKWWIFLPLTR-FHWLQOOXSA-N 1 3 345.487 2.296 20 30 EEEDHO C=CCC[C@@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246410305 1310302981 /nfs/dbraw/zinc/30/29/81/1310302981.db2.gz IESFPMNQVVXOOB-PCCLBNHKSA-N 1 3 340.508 2.233 20 30 EEEDHO C#CCN1CCC(C(=O)NCC[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001152330457 1316657680 /nfs/dbraw/zinc/65/76/80/1316657680.db2.gz NOEGFCYALUDQGP-QGZVFWFLSA-N 1 3 327.472 2.107 20 30 EEEDHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152393214 1316666503 /nfs/dbraw/zinc/66/65/03/1316666503.db2.gz HSRSAVSLUQJPQJ-UHFFFAOYSA-N 1 3 336.439 2.139 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC2CC(C)C2)CC1 ZINC001157092094 1318396164 /nfs/dbraw/zinc/39/61/64/1318396164.db2.gz KIQVONLJNXLYHH-LXPRWKDFSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CC(C)C2)CC1 ZINC001157092094 1318396177 /nfs/dbraw/zinc/39/61/77/1318396177.db2.gz KIQVONLJNXLYHH-LXPRWKDFSA-N 1 3 333.520 2.204 20 30 EEEDHO CN(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC001159917492 1320021065 /nfs/dbraw/zinc/02/10/65/1320021065.db2.gz XOGROKBJKKOMSL-SFHVURJKSA-N 1 3 347.890 2.128 20 30 EEEDHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203924728 1321990638 /nfs/dbraw/zinc/99/06/38/1321990638.db2.gz GHHBXKOFGIYDOJ-UHFFFAOYSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CCC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001336779182 1336593437 /nfs/dbraw/zinc/59/34/37/1336593437.db2.gz IGJIEGOCPXEKNC-QGZVFWFLSA-N 1 3 336.863 2.157 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001371880399 1375663974 /nfs/dbraw/zinc/66/39/74/1375663974.db2.gz JKDKJSKXKFBKSB-YJBOKZPZSA-N 1 3 330.476 2.129 20 30 EEEDHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1)N(C)C ZINC001378410911 1379924356 /nfs/dbraw/zinc/92/43/56/1379924356.db2.gz OAZATXYJNCMOEO-WMZOPIPTSA-N 1 3 348.516 2.334 20 30 EEEDHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001378963827 1380332247 /nfs/dbraw/zinc/33/22/47/1380332247.db2.gz QZRBNDKZZBBQHC-MOPGFXCFSA-N 1 3 344.503 2.375 20 30 EEEDHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379015364 1380391611 /nfs/dbraw/zinc/39/16/11/1380391611.db2.gz BYMXTOVMDDIWGE-HNNXBMFYSA-N 1 3 325.884 2.194 20 30 EEEDHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001379317290 1380677313 /nfs/dbraw/zinc/67/73/13/1380677313.db2.gz DMVYSMWXSPILGH-OAHLLOKOSA-N 1 3 348.516 2.432 20 30 EEEDHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001398734845 1394170583 /nfs/dbraw/zinc/17/05/83/1394170583.db2.gz YCPPDBQWIZWCKR-LJQANCHMSA-N 1 3 342.487 2.228 20 30 EEEDHO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(NCc2ccccc2C#N)CCC1 ZINC001402566438 1398062640 /nfs/dbraw/zinc/06/26/40/1398062640.db2.gz PWPNTFHJXCCRGU-SFHVURJKSA-N 1 3 340.471 2.171 20 30 EEEDHO C[N@H+]1CCCC[C@H]1C(=O)NCC1(NCc2ccccc2C#N)CCC1 ZINC001402566438 1398062648 /nfs/dbraw/zinc/06/26/48/1398062648.db2.gz PWPNTFHJXCCRGU-SFHVURJKSA-N 1 3 340.471 2.171 20 30 EEEDHO COc1cc(C#N)ccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579139009 1403778326 /nfs/dbraw/zinc/77/83/26/1403778326.db2.gz GTTUVTLKHLCHNK-MJGOQNOKSA-N 1 3 329.444 2.285 20 30 EEEDHO C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001046990744 1410223147 /nfs/dbraw/zinc/22/31/47/1410223147.db2.gz VCIDALQQOMXIPB-CYBMUJFWSA-N 1 3 338.402 2.021 20 30 EEEDHO C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001046990744 1410223150 /nfs/dbraw/zinc/22/31/50/1410223150.db2.gz VCIDALQQOMXIPB-CYBMUJFWSA-N 1 3 338.402 2.021 20 30 EEEDHO C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863407 782299275 /nfs/dbraw/zinc/29/92/75/782299275.db2.gz ZQCMBPVEFAFMDF-RDGPPVDQSA-N 1 3 345.531 2.463 20 30 EEEDHO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863407 782299287 /nfs/dbraw/zinc/29/92/87/782299287.db2.gz ZQCMBPVEFAFMDF-RDGPPVDQSA-N 1 3 345.531 2.463 20 30 EEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439742 782357434 /nfs/dbraw/zinc/35/74/34/782357434.db2.gz UEHQZVXFBQERCL-PKOBYXMFSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439742 782357438 /nfs/dbraw/zinc/35/74/38/782357438.db2.gz UEHQZVXFBQERCL-PKOBYXMFSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104754003 765206485 /nfs/dbraw/zinc/20/64/85/765206485.db2.gz YSFKKKHHTZUKCS-GUDVDZBRSA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@]2(C)C1 ZINC000982279992 779518441 /nfs/dbraw/zinc/51/84/41/779518441.db2.gz PPKSAHBXDKNLKE-IZZBFERCSA-N 1 3 343.515 2.055 20 30 EEEDHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@]2(C)C1 ZINC000982279992 779518447 /nfs/dbraw/zinc/51/84/47/779518447.db2.gz PPKSAHBXDKNLKE-IZZBFERCSA-N 1 3 343.515 2.055 20 30 EEEDHO C#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001105395646 781886419 /nfs/dbraw/zinc/88/64/19/781886419.db2.gz BYKRMCQAIDQAJH-HXUWFJFHSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260189 784215221 /nfs/dbraw/zinc/21/52/21/784215221.db2.gz RUPHISFYBLQHPY-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260189 784215229 /nfs/dbraw/zinc/21/52/29/784215229.db2.gz RUPHISFYBLQHPY-SFHVURJKSA-N 1 3 331.504 2.199 20 30 EEEDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975763 784925015 /nfs/dbraw/zinc/92/50/15/784925015.db2.gz BZJINHLRYCIDRP-IAGOWNOFSA-N 1 3 347.478 2.392 20 30 EEEDHO C#CCC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035859671 785303266 /nfs/dbraw/zinc/30/32/66/785303266.db2.gz WLQRMBULIZDRER-UHFFFAOYSA-N 1 3 339.483 2.310 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911743454 787680246 /nfs/dbraw/zinc/68/02/46/787680246.db2.gz CTIGCMYRASXIHS-IRXDYDNUSA-N 1 3 345.443 2.218 20 30 EEEDHO CC(C)[C@H](C(=O)N1CCC(NCc2ccccc2C#N)CC1)[NH+](C)C ZINC000996977028 788342720 /nfs/dbraw/zinc/34/27/20/788342720.db2.gz ICSUSRBQBJHBNB-LJQANCHMSA-N 1 3 342.487 2.225 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001146591912 791360518 /nfs/dbraw/zinc/36/05/18/791360518.db2.gz IGGYIWHIYFLMLF-HOTGVXAUSA-N 1 3 330.476 2.271 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2C)CC1 ZINC001089059745 792022706 /nfs/dbraw/zinc/02/27/06/792022706.db2.gz YYUIQXOPEJVDNM-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C)CC1 ZINC001089059745 792022713 /nfs/dbraw/zinc/02/27/13/792022713.db2.gz YYUIQXOPEJVDNM-APWZRJJASA-N 1 3 331.504 2.101 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358903 793128676 /nfs/dbraw/zinc/12/86/76/793128676.db2.gz NCZDWGLZLHHTJG-IRXDYDNUSA-N 1 3 327.513 2.040 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCC)CC3)CC1 ZINC000992506550 794445875 /nfs/dbraw/zinc/44/58/75/794445875.db2.gz JOMNAARVUNIFMQ-UYAOXDASSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCC)CC3)CC1 ZINC000992506550 794445879 /nfs/dbraw/zinc/44/58/79/794445879.db2.gz JOMNAARVUNIFMQ-UYAOXDASSA-N 1 3 331.504 2.245 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC000999434535 794457567 /nfs/dbraw/zinc/45/75/67/794457567.db2.gz OCTKGXCMRKQQOE-MOPGFXCFSA-N 1 3 342.487 2.225 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001086533311 806351246 /nfs/dbraw/zinc/35/12/46/806351246.db2.gz GAQABJVSTLVGHZ-FPCVCCKLSA-N 1 3 327.900 2.344 20 30 EEEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078818948 797024222 /nfs/dbraw/zinc/02/42/22/797024222.db2.gz GASGWCNXZOGTTA-ZWKOTPCHSA-N 1 3 325.456 2.012 20 30 EEEDHO C[C@H](CCCCNCc1ccccc1C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563767 798497653 /nfs/dbraw/zinc/49/76/53/798497653.db2.gz HEDSNTIIGOZARL-APWZRJJASA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@H](CCCCNCc1ccccc1C#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563767 798497657 /nfs/dbraw/zinc/49/76/57/798497657.db2.gz HEDSNTIIGOZARL-APWZRJJASA-N 1 3 342.487 2.275 20 30 EEEDHO C=C(C)CN1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150817881 799580477 /nfs/dbraw/zinc/58/04/77/799580477.db2.gz IMPBBWANQKCQLS-SFHVURJKSA-N 1 3 337.508 2.036 20 30 EEEDHO CC(C)(C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001184800461 802195349 /nfs/dbraw/zinc/19/53/49/802195349.db2.gz XLAXQTDJTKQPAU-LJQANCHMSA-N 1 3 339.483 2.103 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086119691 802217312 /nfs/dbraw/zinc/21/73/12/802217312.db2.gz XNYYJKHZHMEDEY-GASCZTMLSA-N 1 3 325.884 2.099 20 30 EEEDHO C=CCN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001130423795 811618254 /nfs/dbraw/zinc/61/82/54/811618254.db2.gz WMBPSVPGARPNMB-WBVHZDCISA-N 1 3 347.507 2.122 20 30 EEEDHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001438615429 1091104458 /nfs/dbraw/zinc/10/44/58/1091104458.db2.gz YMMPOXOPEZGOGL-UHFFFAOYSA-N 1 3 342.487 2.419 20 30 EEEDHO C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001496083765 1102030523 /nfs/dbraw/zinc/03/05/23/1102030523.db2.gz WVKHDPRWNVNTEF-AWEZNQCLSA-N 1 3 346.450 2.118 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001480713169 1106940183 /nfs/dbraw/zinc/94/01/83/1106940183.db2.gz ZJBLMCQYWFJHET-OALUTQOASA-N 1 3 342.487 2.417 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000491450701 246035335 /nfs/dbraw/zinc/03/53/35/246035335.db2.gz BNUVBEHMWBAJBK-QGZVFWFLSA-N 1 3 327.472 2.290 20 30 EEEDHO C#CCNC(=O)CCNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000491450701 246035340 /nfs/dbraw/zinc/03/53/40/246035340.db2.gz BNUVBEHMWBAJBK-QGZVFWFLSA-N 1 3 327.472 2.290 20 30 EEEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860586 292364275 /nfs/dbraw/zinc/36/42/75/292364275.db2.gz WMKJCYFCYAUYDD-SFHVURJKSA-N 1 3 343.475 2.438 20 30 EEEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000129860586 292364276 /nfs/dbraw/zinc/36/42/76/292364276.db2.gz WMKJCYFCYAUYDD-SFHVURJKSA-N 1 3 343.475 2.438 20 30 EEEDHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000566109512 319246105 /nfs/dbraw/zinc/24/61/05/319246105.db2.gz RZYAZINKIPXTBL-MSOLQXFVSA-N 1 3 331.460 2.008 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CCC#N)CC3CC3)CC2)CC1 ZINC000553163388 468352306 /nfs/dbraw/zinc/35/23/06/468352306.db2.gz PEKRFEWXSBLHSX-UHFFFAOYSA-N 1 3 346.519 2.335 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057138949 463455861 /nfs/dbraw/zinc/45/58/61/463455861.db2.gz SBFGRZRIBVOCIA-UHFFFAOYSA-N 1 3 339.483 2.112 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCCC1 ZINC000264079266 464280604 /nfs/dbraw/zinc/28/06/04/464280604.db2.gz ICUZPZJDXXEOSX-IRXDYDNUSA-N 1 3 347.507 2.195 20 30 EEEDHO CCN(CC)C(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000264104297 464283346 /nfs/dbraw/zinc/28/33/46/464283346.db2.gz PAFPRRWNCQPQEA-UHFFFAOYSA-N 1 3 331.508 2.245 20 30 EEEDHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1ccccn1 ZINC000190536918 464669831 /nfs/dbraw/zinc/66/98/31/464669831.db2.gz ZJMPKLVJZZLMSJ-QGZVFWFLSA-N 1 3 339.443 2.099 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]c4ncccc34)CC2)CC1 ZINC000329424549 465329997 /nfs/dbraw/zinc/32/99/97/465329997.db2.gz IEEOFCHTRCHEIJ-UHFFFAOYSA-N 1 3 341.459 2.426 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000376328537 466906123 /nfs/dbraw/zinc/90/61/23/466906123.db2.gz SZCCYVRYDCWWSM-FUHWJXTLSA-N 1 3 334.508 2.295 20 30 EEEDHO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370699490 466969941 /nfs/dbraw/zinc/96/99/41/466969941.db2.gz QVLRXKVHPJTJHY-AZUAARDMSA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000370699490 466969945 /nfs/dbraw/zinc/96/99/45/466969945.db2.gz QVLRXKVHPJTJHY-AZUAARDMSA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712035 468239029 /nfs/dbraw/zinc/23/90/29/468239029.db2.gz CRRFFGBLIPOJST-XLIONFOSSA-N 1 3 341.499 2.448 20 30 EEEDHO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000569919967 468562794 /nfs/dbraw/zinc/56/27/94/468562794.db2.gz ARAKJABPTNIATG-IBGZPJMESA-N 1 3 343.471 2.295 20 30 EEEDHO C[C@@H](CCC#N)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000602694083 469017264 /nfs/dbraw/zinc/01/72/64/469017264.db2.gz QLFISRJMRDNYHB-INIZCTEOSA-N 1 3 342.487 2.413 20 30 EEEDHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1C#N ZINC000603119879 469272293 /nfs/dbraw/zinc/27/22/93/469272293.db2.gz NFEVCXQFWPPRTC-IBGZPJMESA-N 1 3 345.487 2.496 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723297 782132221 /nfs/dbraw/zinc/13/22/21/782132221.db2.gz KGHKMQPVVYNHMW-FRQCXROJSA-N 1 3 337.483 2.191 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723297 782132228 /nfs/dbraw/zinc/13/22/28/782132228.db2.gz KGHKMQPVVYNHMW-FRQCXROJSA-N 1 3 337.483 2.191 20 30 EEEDHO CCc1cccc(NC(=[NH2+])NCCCCN2CCN(CC)CC2)c1 ZINC000104170017 529177124 /nfs/dbraw/zinc/17/71/24/529177124.db2.gz QBCATYIIRHSBBF-UHFFFAOYSA-N 1 3 331.508 2.393 20 30 EEEDHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411592 577720797 /nfs/dbraw/zinc/72/07/97/577720797.db2.gz AQRKMFGDLPNTEX-MOPGFXCFSA-N 1 3 331.460 2.024 20 30 EEEDHO CN(c1ccccc1C=NNC1CCOCC1)C1CC[NH+](C)CC1 ZINC000757592131 577860892 /nfs/dbraw/zinc/86/08/92/577860892.db2.gz IZJRHXROGAQUFL-UHFFFAOYSA-N 1 3 330.476 2.320 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCF)CC1 ZINC000969156589 674648743 /nfs/dbraw/zinc/64/87/43/674648743.db2.gz XHFLNZUQIJNIDY-SFHVURJKSA-N 1 3 337.483 2.052 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCF)CC1 ZINC000969156589 674648744 /nfs/dbraw/zinc/64/87/44/674648744.db2.gz XHFLNZUQIJNIDY-SFHVURJKSA-N 1 3 337.483 2.052 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001022165758 676713056 /nfs/dbraw/zinc/71/30/56/676713056.db2.gz DWIANIIMWURDAI-MJBXVCDLSA-N 1 3 344.297 2.006 20 30 EEEDHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001022165758 676713057 /nfs/dbraw/zinc/71/30/57/676713057.db2.gz DWIANIIMWURDAI-MJBXVCDLSA-N 1 3 344.297 2.006 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023762044 679568769 /nfs/dbraw/zinc/56/87/69/679568769.db2.gz PXJDLPJHAIKJPV-SFHVURJKSA-N 1 3 327.472 2.213 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023762044 679568770 /nfs/dbraw/zinc/56/87/70/679568770.db2.gz PXJDLPJHAIKJPV-SFHVURJKSA-N 1 3 327.472 2.213 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598260 685093973 /nfs/dbraw/zinc/09/39/73/685093973.db2.gz BEAFTZZGBREBBN-PKOBYXMFSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(C)(C)C1 ZINC000974598260 685093981 /nfs/dbraw/zinc/09/39/81/685093981.db2.gz BEAFTZZGBREBBN-PKOBYXMFSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000985154074 685989359 /nfs/dbraw/zinc/98/93/59/685989359.db2.gz BYCKLPYFLMYKSZ-RUCARUNLSA-N 1 3 345.531 2.252 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482468265 1185971076 /nfs/dbraw/zinc/97/10/76/1185971076.db2.gz ABVJDLNZFCTRRA-GJZGRUSLSA-N 1 3 327.900 2.440 20 30 EEEDHO C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563522 1188179964 /nfs/dbraw/zinc/17/99/64/1188179964.db2.gz ONLNFQGEUGGWPC-ZWKOTPCHSA-N 1 3 331.504 2.102 20 30 EEEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])N2CCCCC2)CC1 ZINC000104166075 1204611616 /nfs/dbraw/zinc/61/16/16/1204611616.db2.gz RFSJKDNUBHBTAS-UHFFFAOYSA-N 1 3 343.519 2.125 20 30 EEEDHO N#Cc1cccc(CN2CCC(N[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)c1 ZINC000925701856 1206145024 /nfs/dbraw/zinc/14/50/24/1206145024.db2.gz HDCKWXFAKHTYLU-UGKANONSSA-N 1 3 336.483 2.109 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(F)F ZINC000303770293 1213903576 /nfs/dbraw/zinc/90/35/76/1213903576.db2.gz BVJLSJCWJIWZBZ-ZDUSSCGKSA-N 1 3 326.391 2.177 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037279758 1216291294 /nfs/dbraw/zinc/29/12/94/1216291294.db2.gz SUJFPJWXTRTKEW-PMACEKPBSA-N 1 3 345.531 2.396 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227987 1217098171 /nfs/dbraw/zinc/09/81/71/1217098171.db2.gz DKJNJNVKPHOYKD-DLBZAZTESA-N 1 3 330.476 2.479 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961227987 1217098173 /nfs/dbraw/zinc/09/81/73/1217098173.db2.gz DKJNJNVKPHOYKD-DLBZAZTESA-N 1 3 330.476 2.479 20 30 EEEDHO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961266360 1217118083 /nfs/dbraw/zinc/11/80/83/1217118083.db2.gz XFBIBWNGUODSJE-OALUTQOASA-N 1 3 333.520 2.465 20 30 EEEDHO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961266360 1217118086 /nfs/dbraw/zinc/11/80/86/1217118086.db2.gz XFBIBWNGUODSJE-OALUTQOASA-N 1 3 333.520 2.465 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C)CC1 ZINC000968680614 1221487038 /nfs/dbraw/zinc/48/70/38/1221487038.db2.gz BWYSTPNSLSSOQI-HKUYNNGSSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C)CC1 ZINC000968680614 1221487040 /nfs/dbraw/zinc/48/70/40/1221487040.db2.gz BWYSTPNSLSSOQI-HKUYNNGSSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039165937 1230388637 /nfs/dbraw/zinc/38/86/37/1230388637.db2.gz VACZFQSGNFSYPL-IBGZPJMESA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039165937 1230388640 /nfs/dbraw/zinc/38/86/40/1230388640.db2.gz VACZFQSGNFSYPL-IBGZPJMESA-N 1 3 345.531 2.302 20 30 EEEDHO C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001039298307 1230515046 /nfs/dbraw/zinc/51/50/46/1230515046.db2.gz UWECDCJCYKRAOU-KVMCETHSSA-N 1 3 349.494 2.334 20 30 EEEDHO CC#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329220 1231172861 /nfs/dbraw/zinc/17/28/61/1231172861.db2.gz SJNUFNFWCRUNLC-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]21 ZINC001042268374 1231993902 /nfs/dbraw/zinc/99/39/02/1231993902.db2.gz CJNIBOBMRRKAEX-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001045961138 1234236235 /nfs/dbraw/zinc/23/62/35/1234236235.db2.gz HMNXQRAIONJSCZ-CTNGQTDRSA-N 1 3 345.531 2.446 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001045961138 1234236237 /nfs/dbraw/zinc/23/62/37/1234236237.db2.gz HMNXQRAIONJSCZ-CTNGQTDRSA-N 1 3 345.531 2.446 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979841 1234269473 /nfs/dbraw/zinc/26/94/73/1234269473.db2.gz KJLQOEKCSHRELB-QUCCMNQESA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979841 1234269476 /nfs/dbraw/zinc/26/94/76/1234269476.db2.gz KJLQOEKCSHRELB-QUCCMNQESA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC([C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001047246014 1235740337 /nfs/dbraw/zinc/74/03/37/1235740337.db2.gz GIEBHLXMSVZJNR-IBGZPJMESA-N 1 3 343.515 2.199 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049477928 1241074139 /nfs/dbraw/zinc/07/41/39/1241074139.db2.gz KLVLWUAEKJYOFO-ROUUACIJSA-N 1 3 331.504 2.340 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049477928 1241074149 /nfs/dbraw/zinc/07/41/49/1241074149.db2.gz KLVLWUAEKJYOFO-ROUUACIJSA-N 1 3 331.504 2.340 20 30 EEEDHO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052987126 1245615639 /nfs/dbraw/zinc/61/56/39/1245615639.db2.gz DZYZXXFEOAQCAB-LZQZEXGQSA-N 1 3 344.503 2.086 20 30 EEEDHO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052987126 1245615645 /nfs/dbraw/zinc/61/56/45/1245615645.db2.gz DZYZXXFEOAQCAB-LZQZEXGQSA-N 1 3 344.503 2.086 20 30 EEEDHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054060436 1247271804 /nfs/dbraw/zinc/27/18/04/1247271804.db2.gz MSVJSUFMTOWUDC-VQTJNVASSA-N 1 3 341.499 2.447 20 30 EEEDHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054060436 1247271812 /nfs/dbraw/zinc/27/18/12/1247271812.db2.gz MSVJSUFMTOWUDC-VQTJNVASSA-N 1 3 341.499 2.447 20 30 EEEDHO 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C=C(C)CN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000139058229 463317244 /nfs/dbraw/zinc/31/72/44/463317244.db2.gz NFXPBTNREBLDSS-WMZOPIPTSA-N 1 3 334.508 2.153 20 30 EEEDHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N ZINC000289724878 464092681 /nfs/dbraw/zinc/09/26/81/464092681.db2.gz HLGNORKQRIAWSQ-UHFFFAOYSA-N 1 3 330.476 2.025 20 30 EEEDHO C=C(C)CNC(=[NH2+])NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000264066297 464278225 /nfs/dbraw/zinc/27/82/25/464278225.db2.gz BGPCKHQGYAGIQJ-UHFFFAOYSA-N 1 3 330.476 2.388 20 30 EEEDHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000264071785 464280164 /nfs/dbraw/zinc/28/01/64/464280164.db2.gz DLCKQKKAAFWMLA-INIZCTEOSA-N 1 3 345.535 2.422 20 30 EEEDHO C[NH+](C)C1CCN(CCNCc2cccc(OCCCC#N)c2)CC1 ZINC000176989803 464900459 /nfs/dbraw/zinc/90/04/59/464900459.db2.gz IQTBZFRPHFAFID-UHFFFAOYSA-N 1 3 344.503 2.485 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000358785200 465320642 /nfs/dbraw/zinc/32/06/42/465320642.db2.gz ZJEMZLIXZPSXTA-IBGZPJMESA-N 1 3 344.503 2.109 20 30 EEEDHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511857 468990578 /nfs/dbraw/zinc/99/05/78/468990578.db2.gz QKPWZMDGMDITLL-LJQANCHMSA-N 1 3 345.487 2.299 20 30 EEEDHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511857 468990584 /nfs/dbraw/zinc/99/05/84/468990584.db2.gz QKPWZMDGMDITLL-LJQANCHMSA-N 1 3 345.487 2.299 20 30 EEEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000614403310 469932149 /nfs/dbraw/zinc/93/21/49/469932149.db2.gz QZSWNLFAYCWYIS-PXNSSMCTSA-N 1 3 326.488 2.325 20 30 EEEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000614403310 469932151 /nfs/dbraw/zinc/93/21/51/469932151.db2.gz QZSWNLFAYCWYIS-PXNSSMCTSA-N 1 3 326.488 2.325 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625323395 470118907 /nfs/dbraw/zinc/11/89/07/470118907.db2.gz WVESOBWNBZJFAY-UXHICEINSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000625323395 470118909 /nfs/dbraw/zinc/11/89/09/470118909.db2.gz WVESOBWNBZJFAY-UXHICEINSA-N 1 3 341.499 2.489 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923132 526929566 /nfs/dbraw/zinc/92/95/66/526929566.db2.gz RWERIFDWZUNICJ-FXAWDEMLSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000291923132 526929570 /nfs/dbraw/zinc/92/95/70/526929570.db2.gz RWERIFDWZUNICJ-FXAWDEMLSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832299 681350683 /nfs/dbraw/zinc/35/06/83/681350683.db2.gz WRGSBQDIEAYGLN-QGZVKYPTSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832299 681350688 /nfs/dbraw/zinc/35/06/88/681350688.db2.gz WRGSBQDIEAYGLN-QGZVKYPTSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC000982834441 681356956 /nfs/dbraw/zinc/35/69/56/681356956.db2.gz ZSCXTGZFOZIMBX-SESVDKBCSA-N 1 3 345.531 2.301 20 30 EEEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755574 682109560 /nfs/dbraw/zinc/10/95/60/682109560.db2.gz QISJQUDCSQYPIG-IEBWSBKVSA-N 1 3 331.504 2.245 20 30 EEEDHO CC#CCN1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755574 682109562 /nfs/dbraw/zinc/10/95/62/682109562.db2.gz QISJQUDCSQYPIG-IEBWSBKVSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001025245060 682323809 /nfs/dbraw/zinc/32/38/09/682323809.db2.gz ZJIGHCILSVGNON-RTBURBONSA-N 1 3 343.515 2.341 20 30 EEEDHO CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001025591386 683061396 /nfs/dbraw/zinc/06/13/96/683061396.db2.gz BCAUKNSAUALRNC-XLIONFOSSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992925693 683656428 /nfs/dbraw/zinc/65/64/28/683656428.db2.gz LVSMMWVIYVVQTN-VAMGGRTRSA-N 1 3 339.483 2.212 20 30 EEEDHO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008505482 684798935 /nfs/dbraw/zinc/79/89/35/684798935.db2.gz AFXDNQNDJWAKGJ-YJBOKZPZSA-N 1 3 325.472 2.356 20 30 EEEDHO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008505482 684798938 /nfs/dbraw/zinc/79/89/38/684798938.db2.gz AFXDNQNDJWAKGJ-YJBOKZPZSA-N 1 3 325.472 2.356 20 30 EEEDHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001029766622 687034614 /nfs/dbraw/zinc/03/46/14/687034614.db2.gz FHXJQWZPJAMJSA-RBUKOAKNSA-N 1 3 342.487 2.179 20 30 EEEDHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001029766622 687034617 /nfs/dbraw/zinc/03/46/17/687034617.db2.gz FHXJQWZPJAMJSA-RBUKOAKNSA-N 1 3 342.487 2.179 20 30 EEEDHO c1coc(CCNC(=[NH+]C2CC2)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000262641106 687730085 /nfs/dbraw/zinc/73/00/85/687730085.db2.gz HILBRORCLWAIDH-KRWDZBQOSA-N 1 3 330.476 2.490 20 30 EEEDHO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977449416 692634364 /nfs/dbraw/zinc/63/43/64/692634364.db2.gz JPRLCRZLIWJEMI-ZWKOTPCHSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2CCCC)C(C)(C)C1 ZINC000977449416 692634368 /nfs/dbraw/zinc/63/43/68/692634368.db2.gz JPRLCRZLIWJEMI-ZWKOTPCHSA-N 1 3 333.520 2.491 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027578575 693203073 /nfs/dbraw/zinc/20/30/73/693203073.db2.gz NWHHXCLKWZSBRC-OALUTQOASA-N 1 3 342.487 2.321 20 30 EEEDHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1)N(C)C ZINC001027578575 693203075 /nfs/dbraw/zinc/20/30/75/693203075.db2.gz NWHHXCLKWZSBRC-OALUTQOASA-N 1 3 342.487 2.321 20 30 EEEDHO C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338819 1185436097 /nfs/dbraw/zinc/43/60/97/1185436097.db2.gz KMFIRHLNVCHQPU-CQSZACIVSA-N 1 3 348.516 2.288 20 30 EEEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](CC)N(C)C)CCC1 ZINC001105565837 1188185731 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C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001134585046 1199674347 /nfs/dbraw/zinc/67/43/47/1199674347.db2.gz YPXPOFNMNALDOI-HZPDHXFCSA-N 1 3 342.487 2.415 20 30 EEEDHO C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132824897 1200073082 /nfs/dbraw/zinc/07/30/82/1200073082.db2.gz WRMPKCUTTKPLBI-ZWKOTPCHSA-N 1 3 333.520 2.348 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000931838666 1207472726 /nfs/dbraw/zinc/47/27/26/1207472726.db2.gz VTADHFQZAZFFLD-UHFFFAOYSA-N 1 3 347.488 2.300 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070700 1208854394 /nfs/dbraw/zinc/85/43/94/1208854394.db2.gz RHDXROGRYHQFOZ-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC(=C)C)[C@@H](C)C2)CC1 ZINC000948070700 1208854398 /nfs/dbraw/zinc/85/43/98/1208854398.db2.gz RHDXROGRYHQFOZ-PKOBYXMFSA-N 1 3 331.504 2.267 20 30 EEEDHO CCN1CCN(Cc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)CC1 ZINC000303877845 1213917204 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CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1cc(C#N)ccc1F ZINC001378256571 1379826756 /nfs/dbraw/zinc/82/67/56/1379826756.db2.gz IWMNIEZCTOSOBV-AEFFLSMTSA-N 1 3 348.466 2.268 20 30 EEEDHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1)CC(C)(C)C ZINC001398551559 1394102758 /nfs/dbraw/zinc/10/27/58/1394102758.db2.gz DWSYGKRGZJHHEP-HDJSIYSDSA-N 1 3 348.516 2.334 20 30 EEEDHO C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001755445746 1407460088 /nfs/dbraw/zinc/46/00/88/1407460088.db2.gz QEOCZLKHFSBSBR-DLBZAZTESA-N 1 3 339.524 2.136 20 30 EEEDHO C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001755749434 1407807749 /nfs/dbraw/zinc/80/77/49/1407807749.db2.gz JDEVLRCPDAGGSU-LPHOPBHVSA-N 1 3 327.472 2.260 20 30 EEEDHO C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075458507 760846012 /nfs/dbraw/zinc/84/60/12/760846012.db2.gz IHDCIHNKFWPWMJ-MOPGFXCFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075458507 760846027 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792463948 /nfs/dbraw/zinc/46/39/48/792463948.db2.gz YRIOIKQYYCMWRK-ZIAGYGMSSA-N 1 3 345.409 2.170 20 30 EEEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540251 794072644 /nfs/dbraw/zinc/07/26/44/794072644.db2.gz NBTQAMVTCHLCPS-NSHGMRRFSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540250 794072762 /nfs/dbraw/zinc/07/27/62/794072762.db2.gz NBTQAMVTCHLCPS-BJLQDIEVSA-N 1 3 331.504 2.101 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC000999345966 794335297 /nfs/dbraw/zinc/33/52/97/794335297.db2.gz CAXSHNMAOWGRFS-GOSISDBHSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992504039 794433381 /nfs/dbraw/zinc/43/33/81/794433381.db2.gz GAWCYIOWCOLCCO-FPOVZHCZSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992504039 794433385 /nfs/dbraw/zinc/43/33/85/794433385.db2.gz GAWCYIOWCOLCCO-FPOVZHCZSA-N 1 3 339.483 2.498 20 30 EEEDHO C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371826 795103703 /nfs/dbraw/zinc/10/37/03/795103703.db2.gz VNAGUDYEDKHFOM-RTBURBONSA-N 1 3 343.515 2.053 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371826 795103707 /nfs/dbraw/zinc/10/37/07/795103707.db2.gz VNAGUDYEDKHFOM-RTBURBONSA-N 1 3 343.515 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001080997408 796548531 /nfs/dbraw/zinc/54/85/31/796548531.db2.gz BZKPZGMJWPVNFI-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2C)CC1 ZINC001080997408 796548535 /nfs/dbraw/zinc/54/85/35/796548535.db2.gz BZKPZGMJWPVNFI-YLJYHZDGSA-N 1 3 345.531 2.348 20 30 EEEDHO C[NH+](C)CCCCC(=O)NCCCNCc1ccc(C#N)cc1F ZINC001171579300 796647088 /nfs/dbraw/zinc/64/70/88/796647088.db2.gz SUIGUTSUDWRMMT-UHFFFAOYSA-N 1 3 334.439 2.025 20 30 EEEDHO C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C12CCC2 ZINC001078741785 796945661 /nfs/dbraw/zinc/94/56/61/796945661.db2.gz KUYJGKZDTUANAX-CVEARBPZSA-N 1 3 339.911 2.488 20 30 EEEDHO CC(C)[N@H+](CCCN)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422861 797442076 /nfs/dbraw/zinc/44/20/76/797442076.db2.gz XYKLKUQXEYLFMU-UHFFFAOYSA-N 1 3 328.460 2.222 20 30 EEEDHO CC(C)[N@@H+](CCCN)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173422861 797442083 /nfs/dbraw/zinc/44/20/83/797442083.db2.gz XYKLKUQXEYLFMU-UHFFFAOYSA-N 1 3 328.460 2.222 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCc2ccccc2)CC1 ZINC001176926539 798631128 /nfs/dbraw/zinc/63/11/28/798631128.db2.gz PDCBPSAPXANOSC-UHFFFAOYSA-N 1 3 341.499 2.060 20 30 EEEDHO CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184424802 802029812 /nfs/dbraw/zinc/02/98/12/802029812.db2.gz MOUJFVOYZAVQHT-NNVNDSJASA-N 1 3 349.519 2.011 20 30 EEEDHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001130711236 811960930 /nfs/dbraw/zinc/96/09/30/811960930.db2.gz RKPVOUZKYRJENM-SFHVURJKSA-N 1 3 346.450 2.024 20 30 EEEDHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(F)c(C#N)c1 ZINC001130711236 811960933 /nfs/dbraw/zinc/96/09/33/811960933.db2.gz RKPVOUZKYRJENM-SFHVURJKSA-N 1 3 346.450 2.024 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001496370340 1100963450 /nfs/dbraw/zinc/96/34/50/1100963450.db2.gz UGQSBGLHTUAWHM-LPHOPBHVSA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCCOc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268403860 251887039 /nfs/dbraw/zinc/88/70/39/251887039.db2.gz DONLWRQQJSPILH-UHFFFAOYSA-N 1 3 330.472 2.414 20 30 EEEDHO C#CCNC(=O)CCNCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000491536488 533162924 /nfs/dbraw/zinc/16/29/24/533162924.db2.gz JYLRJPBQQIEZJK-UHFFFAOYSA-N 1 3 327.472 2.148 20 30 EEEDHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000076893796 159092670 /nfs/dbraw/zinc/09/26/70/159092670.db2.gz QGNGERBRJTYHIY-UHFFFAOYSA-N 1 3 336.439 2.139 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000332224845 268083538 /nfs/dbraw/zinc/08/35/38/268083538.db2.gz WXUTURAFGZUUNK-RBUKOAKNSA-N 1 3 336.439 2.327 20 30 EEEDHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000264105465 464283652 /nfs/dbraw/zinc/28/36/52/464283652.db2.gz PHEPNFMNVCYFGN-UHFFFAOYSA-N 1 3 331.508 2.027 20 30 EEEDHO CC[C@@H](C)NC(=[NH2+])NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000264136518 464287139 /nfs/dbraw/zinc/28/71/39/464287139.db2.gz ZVWRQTOTOMRYGB-SJLPKXTDSA-N 1 3 331.508 2.068 20 30 EEEDHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000293871013 464423068 /nfs/dbraw/zinc/42/30/68/464423068.db2.gz FEVRSZFVVZLOPP-QUCCMNQESA-N 1 3 336.439 2.185 20 30 EEEDHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)C1 ZINC000293871013 464423073 /nfs/dbraw/zinc/42/30/73/464423073.db2.gz FEVRSZFVVZLOPP-QUCCMNQESA-N 1 3 336.439 2.185 20 30 EEEDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000181467189 464494596 /nfs/dbraw/zinc/49/45/96/464494596.db2.gz WGJRJCVQNCIEHN-INIZCTEOSA-N 1 3 330.476 2.266 20 30 EEEDHO CC(C)CCNC(=[NH2+])NCc1ccccc1CN1CCC(O)CC1 ZINC000267396493 464930369 /nfs/dbraw/zinc/93/03/69/464930369.db2.gz DYUGMWCQQUXFFT-UHFFFAOYSA-N 1 3 332.492 2.094 20 30 EEEDHO C#CCN1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000369709539 466746109 /nfs/dbraw/zinc/74/61/09/466746109.db2.gz FFTSYYFHBAOERF-HXUWFJFHSA-N 1 3 339.483 2.065 20 30 EEEDHO C[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000424179629 466998206 /nfs/dbraw/zinc/99/82/06/466998206.db2.gz ZEFLYLVZGLQEOA-CGTJXYLNSA-N 1 3 328.460 2.034 20 30 EEEDHO C[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424179629 466998209 /nfs/dbraw/zinc/99/82/09/466998209.db2.gz ZEFLYLVZGLQEOA-CGTJXYLNSA-N 1 3 328.460 2.034 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001026901784 685274116 /nfs/dbraw/zinc/27/41/16/685274116.db2.gz UKGDVYICSRXCHV-PBHICJAKSA-N 1 3 348.516 2.144 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992925692 683656293 /nfs/dbraw/zinc/65/62/93/683656293.db2.gz LVSMMWVIYVVQTN-SLFFLAALSA-N 1 3 339.483 2.212 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009627770 688045914 /nfs/dbraw/zinc/04/59/14/688045914.db2.gz MKVATWGEYDTSPY-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001009627770 688045921 /nfs/dbraw/zinc/04/59/21/688045921.db2.gz MKVATWGEYDTSPY-IBGZPJMESA-N 1 3 345.531 2.348 20 30 EEEDHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1NCc1ccccc1C#N ZINC001482427262 1185680903 /nfs/dbraw/zinc/68/09/03/1185680903.db2.gz ACUBXVCXTQHKBY-APWZRJJASA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC=C)CC1 ZINC001752825453 1187510666 /nfs/dbraw/zinc/51/06/66/1187510666.db2.gz STWBDDSEVJFETO-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC=C)CC1 ZINC001752825453 1187510670 /nfs/dbraw/zinc/51/06/70/1187510670.db2.gz STWBDDSEVJFETO-IBGZPJMESA-N 1 3 331.504 2.269 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001034045494 1195697103 /nfs/dbraw/zinc/69/71/03/1195697103.db2.gz JWYSRSCRSAFKDT-AEFFLSMTSA-N 1 3 337.483 2.003 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC[C@@H](C)F)C2)CC1 ZINC001034045494 1195697104 /nfs/dbraw/zinc/69/71/04/1195697104.db2.gz JWYSRSCRSAFKDT-AEFFLSMTSA-N 1 3 337.483 2.003 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132884561 1200149153 /nfs/dbraw/zinc/14/91/53/1200149153.db2.gz RTCRMGLRCONLKW-ZFWWWQNUSA-N 1 3 327.900 2.297 20 30 EEEDHO CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133342887 1200768112 /nfs/dbraw/zinc/76/81/12/1200768112.db2.gz UAKVNUVIVMWIHW-MJGOQNOKSA-N 1 3 341.499 2.459 20 30 EEEDHO C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405613 1200869086 /nfs/dbraw/zinc/86/90/86/1200869086.db2.gz IHHYEOGYHAUZPU-UHFFFAOYSA-N 1 3 332.835 2.410 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCCC2)c1 ZINC000104164156 1204611646 /nfs/dbraw/zinc/61/16/46/1204611646.db2.gz WTHDCCKMMNRGES-MRXNPFEDSA-N 1 3 345.491 2.292 20 30 EEEDHO CC#CCN1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948642667 1209268739 /nfs/dbraw/zinc/26/87/39/1209268739.db2.gz NASCAGGMPHEJND-MOPGFXCFSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016818413 1226901900 /nfs/dbraw/zinc/90/19/00/1226901900.db2.gz DKQKHJUWKLJYFP-OXQOHEQNSA-N 1 3 349.494 2.193 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233238 1230465975 /nfs/dbraw/zinc/46/59/75/1230465975.db2.gz JJEUXDYOKCMTQZ-MOPGFXCFSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039233238 1230465976 /nfs/dbraw/zinc/46/59/76/1230465976.db2.gz JJEUXDYOKCMTQZ-MOPGFXCFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040200902 1231097288 /nfs/dbraw/zinc/09/72/88/1231097288.db2.gz 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CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967563 1234247828 /nfs/dbraw/zinc/24/78/28/1234247828.db2.gz XLQYPZKRGKVCAJ-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979842 1234269732 /nfs/dbraw/zinc/26/97/32/1234269732.db2.gz KJLQOEKCSHRELB-UYAOXDASSA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001045979842 1234269734 /nfs/dbraw/zinc/26/97/34/1234269734.db2.gz KJLQOEKCSHRELB-UYAOXDASSA-N 1 3 331.504 2.056 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001000195684 1240051380 /nfs/dbraw/zinc/05/13/80/1240051380.db2.gz ZHQNANXYVOYUBT-LSDHHAIUSA-N 1 3 346.500 2.185 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001050103383 1242874527 /nfs/dbraw/zinc/87/45/27/1242874527.db2.gz GSXSVLAAXTVWPE-OTWHNJEPSA-N 1 3 331.504 2.360 20 30 EEEDHO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 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/nfs/dbraw/zinc/52/60/36/792526036.db2.gz BTZUKMMWSFWQGI-CABCVRRESA-N 1 3 347.425 2.417 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC000992512356 794463800 /nfs/dbraw/zinc/46/38/00/794463800.db2.gz RXXFRXCQTZGPKI-TZIWHRDSSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC2CCC2)CC3)CC1 ZINC000992512356 794463806 /nfs/dbraw/zinc/46/38/06/794463806.db2.gz RXXFRXCQTZGPKI-TZIWHRDSSA-N 1 3 343.515 2.245 20 30 EEEDHO C[N@@H+]1CCC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972042 797177089 /nfs/dbraw/zinc/17/70/89/797177089.db2.gz VXOMEJQWQOIEIR-XHSDSOJGSA-N 1 3 336.480 2.352 20 30 EEEDHO C[N@H+]1CCC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172972042 797177091 /nfs/dbraw/zinc/17/70/91/797177091.db2.gz VXOMEJQWQOIEIR-XHSDSOJGSA-N 1 3 336.480 2.352 20 30 EEEDHO C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262153 798058845 /nfs/dbraw/zinc/05/88/45/798058845.db2.gz CDDCUFRSTLFFMQ-QFBILLFUSA-N 1 3 339.499 2.487 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501163 798107398 /nfs/dbraw/zinc/10/73/98/798107398.db2.gz SEPPHIMQSKNYNR-LPHOPBHVSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)[C@H]2C)CC1 ZINC000994501163 798107403 /nfs/dbraw/zinc/10/74/03/798107403.db2.gz SEPPHIMQSKNYNR-LPHOPBHVSA-N 1 3 331.504 2.101 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176758423 798570755 /nfs/dbraw/zinc/57/07/55/798570755.db2.gz BKDOOZRVIBGMTE-ZWKOTPCHSA-N 1 3 339.524 2.328 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCCCC(F)(F)F)CC1 ZINC001176926364 798631113 /nfs/dbraw/zinc/63/11/13/798631113.db2.gz KCCOKMQNESVGPP-UHFFFAOYSA-N 1 3 347.425 2.160 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001182614672 801278961 /nfs/dbraw/zinc/27/89/61/801278961.db2.gz MOXPVIHOKHUPMB-CKEIUWERSA-N 1 3 327.900 2.155 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455732 802114567 /nfs/dbraw/zinc/11/45/67/802114567.db2.gz ABTJMHCTLHEWEO-RTBURBONSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455732 802114571 /nfs/dbraw/zinc/11/45/71/802114571.db2.gz ABTJMHCTLHEWEO-RTBURBONSA-N 1 3 331.504 2.053 20 30 EEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601552 781919434 /nfs/dbraw/zinc/91/94/34/781919434.db2.gz XHKQBKPNWNESGY-OTWHNJEPSA-N 1 3 349.519 2.175 20 30 EEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)[C@H]1CC ZINC001087601552 781919426 /nfs/dbraw/zinc/91/94/26/781919426.db2.gz XHKQBKPNWNESGY-OTWHNJEPSA-N 1 3 349.519 2.175 20 30 EEEDHO Cn1cc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1C#N ZINC000191580742 239196864 /nfs/dbraw/zinc/19/68/64/239196864.db2.gz LOOQWMYXRDZIMA-IBGZPJMESA-N 1 3 338.455 2.143 20 30 EEEDHO Cn1cc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1C#N ZINC000191580742 239196868 /nfs/dbraw/zinc/19/68/68/239196868.db2.gz LOOQWMYXRDZIMA-IBGZPJMESA-N 1 3 338.455 2.143 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCSCc1ccccc1C#N ZINC000170908144 266143946 /nfs/dbraw/zinc/14/39/46/266143946.db2.gz DYFXMNGKIZNOLT-QGZVFWFLSA-N 1 3 345.516 2.180 20 30 EEEDHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)CN1CCCCC1 ZINC000579582276 468378880 /nfs/dbraw/zinc/37/88/80/468378880.db2.gz SYNNVEQUFPDDBA-WMZOPIPTSA-N 1 3 331.460 2.010 20 30 EEEDHO C=CCN1CCC(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000171721700 463913709 /nfs/dbraw/zinc/91/37/09/463913709.db2.gz RAZIPGWZIFARDL-LPHOPBHVSA-N 1 3 336.524 2.447 20 30 EEEDHO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000579704451 468398629 /nfs/dbraw/zinc/39/86/29/468398629.db2.gz ACDBFRKHWJRJGX-VQIMIIECSA-N 1 3 330.472 2.395 20 30 EEEDHO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370699495 466970035 /nfs/dbraw/zinc/97/00/35/466970035.db2.gz QVLRXKVHPJTJHY-UYAOXDASSA-N 1 3 341.499 2.156 20 30 EEEDHO C#CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000370699495 466970039 /nfs/dbraw/zinc/97/00/39/466970039.db2.gz QVLRXKVHPJTJHY-UYAOXDASSA-N 1 3 341.499 2.156 20 30 EEEDHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000418715848 467149297 /nfs/dbraw/zinc/14/92/97/467149297.db2.gz YTDUAIVFRGLUAC-MRXNPFEDSA-N 1 3 345.491 2.149 20 30 EEEDHO N#CC1(C[C@H](O)CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528509515 467692111 /nfs/dbraw/zinc/69/21/11/467692111.db2.gz PWBVPLCJNPORMW-UFYCRDLUSA-N 1 3 339.483 2.495 20 30 EEEDHO N#CC1(C[C@H](O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000528509515 467692116 /nfs/dbraw/zinc/69/21/16/467692116.db2.gz PWBVPLCJNPORMW-UFYCRDLUSA-N 1 3 339.483 2.495 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc(C)c3)C2)CC1 ZINC001021089215 675715693 /nfs/dbraw/zinc/71/56/93/675715693.db2.gz BGCZHTSYIZYCBS-IYARVYRRSA-N 1 3 345.512 2.139 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CC(CC)CC)C2)CC1 ZINC000970919357 676241517 /nfs/dbraw/zinc/24/15/17/676241517.db2.gz BXVKVIHPMSFAAI-MRXNPFEDSA-N 1 3 333.520 2.204 20 30 EEEDHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688570 676738690 /nfs/dbraw/zinc/73/86/90/676738690.db2.gz YDCHBPGPJSAXDC-IBGZPJMESA-N 1 3 340.471 2.075 20 30 EEEDHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1)C1CCC1 ZINC000971688570 676738691 /nfs/dbraw/zinc/73/86/91/676738691.db2.gz YDCHBPGPJSAXDC-IBGZPJMESA-N 1 3 340.471 2.075 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001023695674 679486265 /nfs/dbraw/zinc/48/62/65/679486265.db2.gz FBORZTMHSMJBMJ-MOPGFXCFSA-N 1 3 333.520 2.493 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695674 679486266 /nfs/dbraw/zinc/48/62/66/679486266.db2.gz FBORZTMHSMJBMJ-MOPGFXCFSA-N 1 3 333.520 2.493 20 30 EEEDHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000984800806 685276322 /nfs/dbraw/zinc/27/63/22/685276322.db2.gz TTWWLEJGASPMTR-KKUMJFAQSA-N 1 3 346.500 2.088 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241450 682300800 /nfs/dbraw/zinc/30/08/00/682300800.db2.gz XNVGQBOGCOBXPX-MSOLQXFVSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001025241450 682300806 /nfs/dbraw/zinc/30/08/06/682300806.db2.gz XNVGQBOGCOBXPX-MSOLQXFVSA-N 1 3 331.504 2.340 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000892851250 683135053 /nfs/dbraw/zinc/13/50/53/683135053.db2.gz FOVYFWFXYPCZLA-UHFFFAOYSA-N 1 3 334.508 2.343 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC001025630731 683168634 /nfs/dbraw/zinc/16/86/34/683168634.db2.gz VKHULFCFKQSWDM-FXAWDEMLSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001025630731 683168638 /nfs/dbraw/zinc/16/86/38/683168638.db2.gz VKHULFCFKQSWDM-FXAWDEMLSA-N 1 3 345.531 2.348 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]21 ZINC000992704635 683283116 /nfs/dbraw/zinc/28/31/16/683283116.db2.gz CHTJSYCYXONFOL-DJIMGWMZSA-N 1 3 339.911 2.440 20 30 EEEDHO C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353850 688503999 /nfs/dbraw/zinc/50/39/99/688503999.db2.gz JPKAMCJKXMMZKD-DNVCBOLYSA-N 1 3 340.471 2.122 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccccc3)C[C@@H]2C)CC1 ZINC000989829051 692371918 /nfs/dbraw/zinc/37/19/18/692371918.db2.gz NMRNOLLGXNITKX-FXAWDEMLSA-N 1 3 339.483 2.111 20 30 EEEDHO C#CCCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977335675 692478219 /nfs/dbraw/zinc/47/82/19/692478219.db2.gz MYIQKHGUPPWTKK-GOSISDBHSA-N 1 3 327.472 2.212 20 30 EEEDHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCCC1)N(C)C ZINC001482229673 1184358405 /nfs/dbraw/zinc/35/84/05/1184358405.db2.gz FAPZGFSBLSUNRI-SFHVURJKSA-N 1 3 342.487 2.417 20 30 EEEDHO CCN(CC)CC(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001168754885 1196225228 /nfs/dbraw/zinc/22/52/28/1196225228.db2.gz DBSIOADYFXECPF-UHFFFAOYSA-N 1 3 335.879 2.129 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170749974 1199559695 /nfs/dbraw/zinc/55/96/95/1199559695.db2.gz FEOXTDRKOQQYLM-QZTJIDSGSA-N 1 3 339.524 2.326 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133404077 1200866637 /nfs/dbraw/zinc/86/66/37/1200866637.db2.gz WQKLHWHZLYUGIC-YJBOKZPZSA-N 1 3 347.890 2.089 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133404077 1200866645 /nfs/dbraw/zinc/86/66/45/1200866645.db2.gz WQKLHWHZLYUGIC-YJBOKZPZSA-N 1 3 347.890 2.089 20 30 EEEDHO N#Cc1ccc(NCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893033 1206164676 /nfs/dbraw/zinc/16/46/76/1206164676.db2.gz JVVLXSGFHARTHH-FXAWDEMLSA-N 1 3 349.438 2.211 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948056885 1208847391 /nfs/dbraw/zinc/84/73/91/1208847391.db2.gz NKEPJYHPBIYIFS-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC000948056885 1208847392 /nfs/dbraw/zinc/84/73/92/1208847392.db2.gz NKEPJYHPBIYIFS-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC(C)C)cc1 ZINC000303891718 1213921116 /nfs/dbraw/zinc/92/11/16/1213921116.db2.gz NHCJTIGZFAYMGU-KRWDZBQOSA-N 1 3 332.492 2.405 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360168 1217555058 /nfs/dbraw/zinc/55/50/58/1217555058.db2.gz KZWRCGOXCNPPKT-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963360168 1217555066 /nfs/dbraw/zinc/55/50/66/1217555066.db2.gz KZWRCGOXCNPPKT-RBUKOAKNSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165247 1230387209 /nfs/dbraw/zinc/38/72/09/1230387209.db2.gz LDPRCTKVEVECQG-HXUWFJFHSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165247 1230387212 /nfs/dbraw/zinc/38/72/12/1230387212.db2.gz LDPRCTKVEVECQG-HXUWFJFHSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001039235857 1230469165 /nfs/dbraw/zinc/46/91/65/1230469165.db2.gz RTYNXDDEAAMTNB-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677382 1231647021 /nfs/dbraw/zinc/64/70/21/1231647021.db2.gz BJOHAHIUYRDQNQ-RBUKOAKNSA-N 1 3 337.483 2.309 20 30 EEEDHO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677382 1231647023 /nfs/dbraw/zinc/64/70/23/1231647023.db2.gz BJOHAHIUYRDQNQ-RBUKOAKNSA-N 1 3 337.483 2.309 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365009 1232047691 /nfs/dbraw/zinc/04/76/91/1232047691.db2.gz ICOOADUQSUKFOI-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042365009 1232047692 /nfs/dbraw/zinc/04/76/92/1232047692.db2.gz ICOOADUQSUKFOI-ICSRJNTNSA-N 1 3 339.483 2.308 20 30 EEEDHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001045090108 1233495828 /nfs/dbraw/zinc/49/58/28/1233495828.db2.gz UCJPSAAJNGDDCZ-XJKSGUPXSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985808 1234281403 /nfs/dbraw/zinc/28/14/03/1234281403.db2.gz CRBICHQOAHCSMM-FQEVSTJZSA-N 1 3 331.504 2.200 20 30 EEEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180719 1241780284 /nfs/dbraw/zinc/78/02/84/1241780284.db2.gz GZPAJFYTDSLRCU-UXHICEINSA-N 1 3 339.483 2.266 20 30 EEEDHO C=CCN1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001001180719 1241780291 /nfs/dbraw/zinc/78/02/91/1241780291.db2.gz GZPAJFYTDSLRCU-UXHICEINSA-N 1 3 339.483 2.266 20 30 EEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001049719911 1241987710 /nfs/dbraw/zinc/98/77/10/1241987710.db2.gz PINVTAFRDWZQJO-FRQCXROJSA-N 1 3 337.483 2.450 20 30 EEEDHO C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001049719911 1241987720 /nfs/dbraw/zinc/98/77/20/1241987720.db2.gz PINVTAFRDWZQJO-FRQCXROJSA-N 1 3 337.483 2.450 20 30 EEEDHO C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609148 1242802061 /nfs/dbraw/zinc/80/20/61/1242802061.db2.gz KJIFJTWFSFEVKX-NEWSRXKRSA-N 1 3 325.456 2.107 20 30 EEEDHO CC#CCN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857832 1245396853 /nfs/dbraw/zinc/39/68/53/1245396853.db2.gz VIVNQVSBTIRIEQ-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001071062039 1253932536 /nfs/dbraw/zinc/93/25/36/1253932536.db2.gz HATPFLRKZONWMS-QUCCMNQESA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCOCC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241371 1295776152 /nfs/dbraw/zinc/77/61/52/1295776152.db2.gz SYMRCXTVWPVYIG-IBGZPJMESA-N 1 3 345.487 2.145 20 30 EEEDHO C=C[C@@H]1C[C@]1(N)C(=O)N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001219754504 1298135010 /nfs/dbraw/zinc/13/50/10/1298135010.db2.gz SIEPGNSNVCKHFJ-CFLQYTFWSA-N 1 3 325.456 2.081 20 30 EEEDHO C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001220868615 1298566821 /nfs/dbraw/zinc/56/68/21/1298566821.db2.gz MDOJSOJTNMWWIL-GBESFXJTSA-N 1 3 327.472 2.494 20 30 EEEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503087 1302821396 /nfs/dbraw/zinc/82/13/96/1302821396.db2.gz DSDFERKSFDGHCK-ZIAGYGMSSA-N 1 3 346.313 2.254 20 30 EEEDHO C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503087 1302821404 /nfs/dbraw/zinc/82/14/04/1302821404.db2.gz DSDFERKSFDGHCK-ZIAGYGMSSA-N 1 3 346.313 2.254 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](C)CC)CC1 ZINC001230251900 1303128556 /nfs/dbraw/zinc/12/85/56/1303128556.db2.gz PKVBILKGFPMFQQ-QXAKKESOSA-N 1 3 333.520 2.395 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116092 1304254445 /nfs/dbraw/zinc/25/44/45/1304254445.db2.gz JQHCXVIWLNTKIZ-HUUCEWRRSA-N 1 3 347.425 2.416 20 30 EEEDHO CCCCCCCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361469 1309088006 /nfs/dbraw/zinc/08/80/06/1309088006.db2.gz FUEDTSKRACEZST-OAHLLOKOSA-N 1 3 326.554 2.295 20 30 EEEDHO N#Cc1ccc(CNCCNC(=O)CCC[NH+]2CCCCC2)cc1F ZINC001151361728 1316512575 /nfs/dbraw/zinc/51/25/75/1316512575.db2.gz PCJMKBRHWYWGMU-UHFFFAOYSA-N 1 3 346.450 2.169 20 30 EEEDHO CN(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC001159915247 1320020239 /nfs/dbraw/zinc/02/02/39/1320020239.db2.gz IFHYBCUMLBOGSD-SFHVURJKSA-N 1 3 347.890 2.128 20 30 EEEDHO CN(C)CC#CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001313439526 1331803124 /nfs/dbraw/zinc/80/31/24/1331803124.db2.gz MVIAMEPDOZXLEW-UHFFFAOYSA-N 1 3 336.524 2.093 20 30 EEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001332078643 1335721629 /nfs/dbraw/zinc/72/16/29/1335721629.db2.gz ZSNGQLJRLQIOLJ-IRXDYDNUSA-N 1 3 348.878 2.379 20 30 EEEDHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001332078643 1335721631 /nfs/dbraw/zinc/72/16/31/1335721631.db2.gz ZSNGQLJRLQIOLJ-IRXDYDNUSA-N 1 3 348.878 2.379 20 30 EEEDHO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001574487022 1343678434 /nfs/dbraw/zinc/67/84/34/1343678434.db2.gz XUJLHHLSXOJLPT-ZACQAIPSSA-N 1 3 344.507 2.035 20 30 EEEDHO C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001121232647 1371865763 /nfs/dbraw/zinc/86/57/63/1371865763.db2.gz HIDVBOYKSBQXHH-UHFFFAOYSA-N 1 3 325.884 2.240 20 30 EEEDHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001366462810 1373907692 /nfs/dbraw/zinc/90/76/92/1373907692.db2.gz IWXKAWDAYBNYSQ-KSSFIOAISA-N 1 3 348.466 2.268 20 30 EEEDHO CN(CC(=O)N[C@@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1)C1CCC1 ZINC001367904203 1374302947 /nfs/dbraw/zinc/30/29/47/1374302947.db2.gz SLTCSXRCSHDBPY-IBGZPJMESA-N 1 3 340.471 2.027 20 30 EEEDHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1ccc(C#N)s1 ZINC001371175950 1375279991 /nfs/dbraw/zinc/27/99/91/1375279991.db2.gz DLNAMAYRDUELCE-AWEZNQCLSA-N 1 3 348.516 2.479 20 30 EEEDHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001371175950 1375279998 /nfs/dbraw/zinc/27/99/98/1375279998.db2.gz DLNAMAYRDUELCE-AWEZNQCLSA-N 1 3 348.516 2.479 20 30 EEEDHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001379137700 1380565282 /nfs/dbraw/zinc/56/52/82/1380565282.db2.gz QAGKFSSPXRYWOC-QAPCUYQASA-N 1 3 330.476 2.081 20 30 EEEDHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC#Cc1ccccc1)[NH+]1CCCC1 ZINC001752921204 1406548753 /nfs/dbraw/zinc/54/87/53/1406548753.db2.gz NSMDRUAQHQISRV-UYAOXDASSA-N 1 3 341.499 2.253 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001402188701 1397829581 /nfs/dbraw/zinc/82/95/81/1397829581.db2.gz GNLKQUJKZGJELI-AZUAARDMSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CC1(CC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C[NH2+]C1 ZINC001574880146 1403527095 /nfs/dbraw/zinc/52/70/95/1403527095.db2.gz PAUMPTFKFVOIGH-GOSISDBHSA-N 1 3 343.471 2.114 20 30 EEEDHO CCN(CCC#N)C(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001577710969 1403669684 /nfs/dbraw/zinc/66/96/84/1403669684.db2.gz KSSQYAMPUUIPAO-SJLPKXTDSA-N 1 3 334.508 2.368 20 30 EEEDHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001755768663 1407829014 /nfs/dbraw/zinc/82/90/14/1407829014.db2.gz SRUAMHNRYWKYGN-DZGCQCFKSA-N 1 3 347.425 2.273 20 30 EEEDHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C(C)(C)[C@@H]21 ZINC001087311618 761586948 /nfs/dbraw/zinc/58/69/48/761586948.db2.gz RESZHEWFABYHOY-GUDVDZBRSA-N 1 3 345.531 2.345 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712470 770929701 /nfs/dbraw/zinc/92/97/01/770929701.db2.gz MUFBCCJVTXLNPN-FHWLQOOXSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712470 770929707 /nfs/dbraw/zinc/92/97/07/770929707.db2.gz MUFBCCJVTXLNPN-FHWLQOOXSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001089725716 774786180 /nfs/dbraw/zinc/78/61/80/774786180.db2.gz KYGZNQJJCACHHV-INIZCTEOSA-N 1 3 342.487 2.391 20 30 EEEDHO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC001089725716 774786184 /nfs/dbraw/zinc/78/61/84/774786184.db2.gz KYGZNQJJCACHHV-INIZCTEOSA-N 1 3 342.487 2.391 20 30 EEEDHO C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519756 780261740 /nfs/dbraw/zinc/26/17/40/780261740.db2.gz KCNMXBVBAZRYIS-YVSFHVDLSA-N 1 3 339.911 2.250 20 30 EEEDHO C=C(Br)CN[C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135307121 783566503 /nfs/dbraw/zinc/56/65/03/783566503.db2.gz ANAROQXPFYSSGA-QWHCGFSZSA-N 1 3 334.302 2.110 20 30 EEEDHO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481537 783836897 /nfs/dbraw/zinc/83/68/97/783836897.db2.gz VHZXRYAGLIFTRM-JKSUJKDBSA-N 1 3 327.513 2.040 20 30 EEEDHO CC[NH+](CC)[C@H](C(=O)NCCNCc1cccc(C#N)c1)C(C)C ZINC001135477629 783867633 /nfs/dbraw/zinc/86/76/33/783867633.db2.gz LTPQQKFPQQYEON-SFHVURJKSA-N 1 3 330.476 2.130 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998271700 792415866 /nfs/dbraw/zinc/41/58/66/792415866.db2.gz YGXTXWKXEVMQSY-ZIAGYGMSSA-N 1 3 333.398 2.026 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001086921380 792986566 /nfs/dbraw/zinc/98/65/66/792986566.db2.gz NYIBGVAQSHHNKV-ROUUACIJSA-N 1 3 331.504 2.195 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921380 792986572 /nfs/dbraw/zinc/98/65/72/792986572.db2.gz NYIBGVAQSHHNKV-ROUUACIJSA-N 1 3 331.504 2.195 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942629 793035662 /nfs/dbraw/zinc/03/56/62/793035662.db2.gz WZGNYAFUWCPBBZ-QZTJIDSGSA-N 1 3 331.504 2.197 20 30 EEEDHO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517860 793853296 /nfs/dbraw/zinc/85/32/96/793853296.db2.gz JXGRDVBUEWBMCV-XHSDSOJGSA-N 1 3 325.884 2.004 20 30 EEEDHO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517860 793853305 /nfs/dbraw/zinc/85/33/05/793853305.db2.gz JXGRDVBUEWBMCV-XHSDSOJGSA-N 1 3 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ZINC001130453250 811690393 /nfs/dbraw/zinc/69/03/93/811690393.db2.gz VSPNLQOUAYKAPZ-MRXNPFEDSA-N 1 3 347.507 2.122 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@H]1C ZINC001448983534 1093987370 /nfs/dbraw/zinc/98/73/70/1093987370.db2.gz RSULWASLBBCYKZ-KDOFPFPSSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@H]1C ZINC001448983534 1093987374 /nfs/dbraw/zinc/98/73/74/1093987374.db2.gz RSULWASLBBCYKZ-KDOFPFPSSA-N 1 3 346.450 2.118 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001496370342 1100963588 /nfs/dbraw/zinc/96/35/88/1100963588.db2.gz UGQSBGLHTUAWHM-QFBILLFUSA-N 1 3 342.487 2.227 20 30 EEEDHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000374246596 154017091 /nfs/dbraw/zinc/01/70/91/154017091.db2.gz ZFPRSAXKUTXIHI-UHFFFAOYSA-N 1 3 340.471 2.155 20 30 EEEDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(OC)c(C#N)c1 ZINC000344131023 161200999 /nfs/dbraw/zinc/20/09/99/161200999.db2.gz NDIJIMMHYMILGS-UHFFFAOYSA-N 1 3 344.503 2.416 20 30 EEEDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(OC)c(C#N)c1 ZINC000344131023 161201000 /nfs/dbraw/zinc/20/10/00/161201000.db2.gz NDIJIMMHYMILGS-UHFFFAOYSA-N 1 3 344.503 2.416 20 30 EEEDHO C[C@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000279486384 267160922 /nfs/dbraw/zinc/16/09/22/267160922.db2.gz IUKSUHMUKKAICR-APWZRJJASA-N 1 3 338.455 2.479 20 30 EEEDHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000358335805 465065535 /nfs/dbraw/zinc/06/55/35/465065535.db2.gz JZKYPLPIVKWEIV-MAUKXSAKSA-N 1 3 326.444 2.477 20 30 EEEDHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000358335805 465065537 /nfs/dbraw/zinc/06/55/37/465065537.db2.gz JZKYPLPIVKWEIV-MAUKXSAKSA-N 1 3 326.444 2.477 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358449999 465130680 /nfs/dbraw/zinc/13/06/80/465130680.db2.gz RVFIVCZESRCHLV-UHFFFAOYSA-N 1 3 336.524 2.448 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cccc(Cl)c2n1C ZINC000274792630 464755644 /nfs/dbraw/zinc/75/56/44/464755644.db2.gz QIYVTYMTTOOWFM-GFCCVEGCSA-N 1 3 348.882 2.115 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCc4c[nH]nc4C3)CC2)CC1 ZINC000329811352 465441550 /nfs/dbraw/zinc/44/15/50/465441550.db2.gz MSJMQKQZCJCORB-AWEZNQCLSA-N 1 3 345.491 2.030 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000298657917 465462930 /nfs/dbraw/zinc/46/29/30/465462930.db2.gz PZYINVDTYIVPGG-SFHVURJKSA-N 1 3 336.524 2.469 20 30 EEEDHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330419514 465652569 /nfs/dbraw/zinc/65/25/69/465652569.db2.gz GACIKRVHGXBDRX-NVXWUHKLSA-N 1 3 334.508 2.095 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000417058135 466767546 /nfs/dbraw/zinc/76/75/46/466767546.db2.gz DQHGYRWONBYHDN-QZTJIDSGSA-N 1 3 336.524 2.455 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)C(C)C ZINC000417073428 466771470 /nfs/dbraw/zinc/77/14/70/466771470.db2.gz XVQOBEURIXSZLU-MSOLQXFVSA-N 1 3 336.524 2.326 20 30 EEEDHO N#CCCC[C@H](N)C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000424151830 466991460 /nfs/dbraw/zinc/99/14/60/466991460.db2.gz GGGAKXONHBBWTQ-HOTGVXAUSA-N 1 3 346.500 2.240 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000471785629 467975116 /nfs/dbraw/zinc/97/51/16/467975116.db2.gz FGXZJSXRVWELAG-SFHVURJKSA-N 1 3 336.439 2.231 20 30 EEEDHO C=CCn1cccc1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000488985620 468114308 /nfs/dbraw/zinc/11/43/08/468114308.db2.gz RIRWSSCPJHIHQL-QGZVFWFLSA-N 1 3 332.492 2.162 20 30 EEEDHO C=CCn1cccc1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000488985620 468114311 /nfs/dbraw/zinc/11/43/11/468114311.db2.gz RIRWSSCPJHIHQL-QGZVFWFLSA-N 1 3 332.492 2.162 20 30 EEEDHO CN(CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC000602088923 469183780 /nfs/dbraw/zinc/18/37/80/469183780.db2.gz SONDSIURHOGHFR-UHFFFAOYSA-N 1 3 344.503 2.426 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000644531769 470974972 /nfs/dbraw/zinc/97/49/72/470974972.db2.gz IQQKJPNTEOHUTG-LPHOPBHVSA-N 1 3 330.472 2.229 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000644531769 470974978 /nfs/dbraw/zinc/97/49/78/470974978.db2.gz IQQKJPNTEOHUTG-LPHOPBHVSA-N 1 3 330.472 2.229 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000644531769 470974983 /nfs/dbraw/zinc/97/49/83/470974983.db2.gz IQQKJPNTEOHUTG-LPHOPBHVSA-N 1 3 330.472 2.229 20 30 EEEDHO C[C@H](CC1(C#N)CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000602570813 485644494 /nfs/dbraw/zinc/64/44/94/485644494.db2.gz UHOYDSPKEHFPNJ-BHIYHBOVSA-N 1 3 349.519 2.443 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCn1c(C)nc2ccccc21 ZINC000104156033 529072428 /nfs/dbraw/zinc/07/24/28/529072428.db2.gz PSVOFBANFBRRNU-MRXNPFEDSA-N 1 3 342.491 2.123 20 30 EEEDHO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000764468423 577736819 /nfs/dbraw/zinc/73/68/19/577736819.db2.gz JBSHIWHPESFTAT-XLIONFOSSA-N 1 3 342.487 2.047 20 30 EEEDHO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000764468423 577736820 /nfs/dbraw/zinc/73/68/20/577736820.db2.gz JBSHIWHPESFTAT-XLIONFOSSA-N 1 3 342.487 2.047 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC2)CC1 ZINC000969156222 674642763 /nfs/dbraw/zinc/64/27/63/674642763.db2.gz MXQRIPMNZJCTJS-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC2)CC1 ZINC000969156222 674642765 /nfs/dbraw/zinc/64/27/65/674642765.db2.gz MXQRIPMNZJCTJS-IBGZPJMESA-N 1 3 331.504 2.102 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180135 675923156 /nfs/dbraw/zinc/92/31/56/675923156.db2.gz LWXCKESWQBYBFW-MOPGFXCFSA-N 1 3 333.520 2.156 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180135 675923157 /nfs/dbraw/zinc/92/31/57/675923157.db2.gz LWXCKESWQBYBFW-MOPGFXCFSA-N 1 3 333.520 2.156 20 30 EEEDHO CN(C)c1ccncc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000970499055 675940542 /nfs/dbraw/zinc/94/05/42/675940542.db2.gz NBIOOUJPTWHJCW-QGZVFWFLSA-N 1 3 349.438 2.024 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000970799705 676157423 /nfs/dbraw/zinc/15/74/23/676157423.db2.gz HDDZPMGXTUTZDG-PBHICJAKSA-N 1 3 346.500 2.185 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971800728 676811552 /nfs/dbraw/zinc/81/15/52/676811552.db2.gz LYBQAWXIWVVXFE-MOPGFXCFSA-N 1 3 340.471 2.075 20 30 EEEDHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971800728 676811555 /nfs/dbraw/zinc/81/15/55/676811555.db2.gz LYBQAWXIWVVXFE-MOPGFXCFSA-N 1 3 340.471 2.075 20 30 EEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479951 679962961 /nfs/dbraw/zinc/96/29/61/679962961.db2.gz VEJDERXIJPGGRP-RBUKOAKNSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479951 679962959 /nfs/dbraw/zinc/96/29/59/679962959.db2.gz VEJDERXIJPGGRP-RBUKOAKNSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712433 681373375 /nfs/dbraw/zinc/37/33/75/681373375.db2.gz XNRNDRIMBKWTLT-LJQANCHMSA-N 1 3 327.472 2.356 20 30 EEEDHO CC[C@]1(C)CCN(C(NCC2(N3CCCC3)CCOCC2)=[NH+]C)C1 ZINC000261831905 681643581 /nfs/dbraw/zinc/64/35/81/681643581.db2.gz VOUPBHGQFTYZLX-GOSISDBHSA-N 1 3 336.524 2.329 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001025240063 682295735 /nfs/dbraw/zinc/29/57/35/682295735.db2.gz KWQUUIVGMMQSMP-MOPGFXCFSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001025240063 682295739 /nfs/dbraw/zinc/29/57/39/682295739.db2.gz KWQUUIVGMMQSMP-MOPGFXCFSA-N 1 3 331.504 2.340 20 30 EEEDHO CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586107 683044432 /nfs/dbraw/zinc/04/44/32/683044432.db2.gz WECKVEHDDLOKNA-HKUYNNGSSA-N 1 3 333.520 2.347 20 30 EEEDHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1)C1CCC1 ZINC001026891156 685254752 /nfs/dbraw/zinc/25/47/52/685254752.db2.gz NIMBOOCIAJDFEM-CQSZACIVSA-N 1 3 346.500 2.042 20 30 EEEDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CN(C)C1CCC1 ZINC000988964727 691331340 /nfs/dbraw/zinc/33/13/40/691331340.db2.gz DVLNOZYQGUENGQ-UONOGXRCSA-N 1 3 346.500 2.183 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCCC1 ZINC000264098836 691482532 /nfs/dbraw/zinc/48/25/32/691482532.db2.gz MNJLOHOJWUVWMD-JKSUJKDBSA-N 1 3 349.548 2.274 20 30 EEEDHO C#CCN1CCC(C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001032206469 1193087546 /nfs/dbraw/zinc/08/75/46/1193087546.db2.gz BRQOXTKTASISLB-KRWDZBQOSA-N 1 3 339.483 2.141 20 30 EEEDHO C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1NCc1ccccc1C#N ZINC001482427264 1185681201 /nfs/dbraw/zinc/68/12/01/1185681201.db2.gz ACUBXVCXTQHKBY-QFBILLFUSA-N 1 3 342.487 2.227 20 30 EEEDHO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417280 1194539332 /nfs/dbraw/zinc/53/93/32/1194539332.db2.gz VVAUXJCSRFGKHU-MAUKXSAKSA-N 1 3 325.472 2.308 20 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ZINC000948056884 1208846858 /nfs/dbraw/zinc/84/68/58/1208846858.db2.gz NKEPJYHPBIYIFS-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960268006 1216459923 /nfs/dbraw/zinc/45/99/23/1216459923.db2.gz KXSOERJEHXRFNF-WJFTUGDTSA-N 1 3 327.472 2.275 20 30 EEEDHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960268006 1216459925 /nfs/dbraw/zinc/45/99/25/1216459925.db2.gz KXSOERJEHXRFNF-WJFTUGDTSA-N 1 3 327.472 2.275 20 30 EEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960325815 1216495273 /nfs/dbraw/zinc/49/52/73/1216495273.db2.gz DSFXTSLXSBBXPY-XFQXTVEOSA-N 1 3 327.472 2.276 20 30 EEEDHO C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960325815 1216495277 /nfs/dbraw/zinc/49/52/77/1216495277.db2.gz DSFXTSLXSBBXPY-XFQXTVEOSA-N 1 3 327.472 2.276 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961376949 1217165028 /nfs/dbraw/zinc/16/50/28/1217165028.db2.gz UKQNRQPKBAWRTD-LJQANCHMSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961376949 1217165030 /nfs/dbraw/zinc/16/50/30/1217165030.db2.gz UKQNRQPKBAWRTD-LJQANCHMSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182915 1230410503 /nfs/dbraw/zinc/41/05/03/1230410503.db2.gz UMZFZDXWTACCCJ-UXHICEINSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039182915 1230410506 /nfs/dbraw/zinc/41/05/06/1230410506.db2.gz UMZFZDXWTACCCJ-UXHICEINSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]21 ZINC001042366963 1232048870 /nfs/dbraw/zinc/04/88/70/1232048870.db2.gz YPXKBFQOMXOUMO-AZUAARDMSA-N 1 3 339.483 2.308 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC001045068108 1233482191 /nfs/dbraw/zinc/48/21/91/1233482191.db2.gz GWGIAIPZPIJXNX-SFHVURJKSA-N 1 3 340.471 2.123 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC001045647082 1233880875 /nfs/dbraw/zinc/88/08/75/1233880875.db2.gz QPXIMXXUCRVBRM-MRXNPFEDSA-N 1 3 337.483 2.050 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001045939017 1234194846 /nfs/dbraw/zinc/19/48/46/1234194846.db2.gz RTPGIECSNBOESL-ZVDOUQERSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045939017 1234194847 /nfs/dbraw/zinc/19/48/47/1234194847.db2.gz RTPGIECSNBOESL-ZVDOUQERSA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCF)CC1 ZINC001048590613 1238043300 /nfs/dbraw/zinc/04/33/00/1238043300.db2.gz QYRRNLLHJPREOJ-GGPHIMKMSA-N 1 3 349.494 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)CC1 ZINC001048590613 1238043306 /nfs/dbraw/zinc/04/33/06/1238043306.db2.gz QYRRNLLHJPREOJ-GGPHIMKMSA-N 1 3 349.494 2.050 20 30 EEEDHO C[NH+]1CCC(C(=O)N2CCC[C@H](NCc3ccc(C#N)s3)C2)CC1 ZINC001000080990 1239910357 /nfs/dbraw/zinc/91/03/57/1239910357.db2.gz JKRIMPRINZKZKY-HNNXBMFYSA-N 1 3 346.500 2.042 20 30 EEEDHO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053040894 1245746037 /nfs/dbraw/zinc/74/60/37/1245746037.db2.gz WRNOXTVIFAXBEN-DLBZAZTESA-N 1 3 330.476 2.479 20 30 EEEDHO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053040894 1245746047 /nfs/dbraw/zinc/74/60/47/1245746047.db2.gz WRNOXTVIFAXBEN-DLBZAZTESA-N 1 3 330.476 2.479 20 30 EEEDHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054060437 1247271088 /nfs/dbraw/zinc/27/10/88/1247271088.db2.gz MSVJSUFMTOWUDC-WOJBJXKFSA-N 1 3 341.499 2.447 20 30 EEEDHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054060437 1247271096 /nfs/dbraw/zinc/27/10/96/1247271096.db2.gz MSVJSUFMTOWUDC-WOJBJXKFSA-N 1 3 341.499 2.447 20 30 EEEDHO C#CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185740401 1278768123 /nfs/dbraw/zinc/76/81/23/1278768123.db2.gz BUVISHSNLZCQNZ-QFBILLFUSA-N 1 3 327.472 2.069 20 30 EEEDHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC001187240272 1279448191 /nfs/dbraw/zinc/44/81/91/1279448191.db2.gz JNDRPSKOVZHJHT-QGZVFWFLSA-N 1 3 346.450 2.120 20 30 EEEDHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191019164 1281178407 /nfs/dbraw/zinc/17/84/07/1281178407.db2.gz KDEFEAYPEJANJM-GOSISDBHSA-N 1 3 342.487 2.321 20 30 EEEDHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001191019164 1281178412 /nfs/dbraw/zinc/17/84/12/1281178412.db2.gz KDEFEAYPEJANJM-GOSISDBHSA-N 1 3 342.487 2.321 20 30 EEEDHO C=CCCN[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885449 1285411454 /nfs/dbraw/zinc/41/14/54/1285411454.db2.gz IBQHUMCKTPYEHI-GOSISDBHSA-N 1 3 345.487 2.360 20 30 EEEDHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000863552380 1296331518 /nfs/dbraw/zinc/33/15/18/1296331518.db2.gz ZBMWFNFGXGGIRZ-QGZVFWFLSA-N 1 3 331.460 2.150 20 30 EEEDHO C=CCCCN1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218376991 1297646830 /nfs/dbraw/zinc/64/68/30/1297646830.db2.gz KHEDZIICPXCXMK-ZWKOTPCHSA-N 1 3 349.519 2.129 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229231706 1302686836 /nfs/dbraw/zinc/68/68/36/1302686836.db2.gz TYBFLJMWQNDGQF-RTBURBONSA-N 1 3 342.487 2.417 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495868 1303035747 /nfs/dbraw/zinc/03/57/47/1303035747.db2.gz WPCUXAJSIHPRAK-QRVBRYPASA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001103495868 1303035757 /nfs/dbraw/zinc/03/57/57/1303035757.db2.gz WPCUXAJSIHPRAK-QRVBRYPASA-N 1 3 333.520 2.347 20 30 EEEDHO CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111817080 1303934698 /nfs/dbraw/zinc/93/46/98/1303934698.db2.gz MXSRYOSKHYQMMR-RXVVDRJESA-N 1 3 345.531 2.493 20 30 EEEDHO C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001111817086 1303935067 /nfs/dbraw/zinc/93/50/67/1303935067.db2.gz NHHQNOSJRBRBKD-PXNSSMCTSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111817086 1303935069 /nfs/dbraw/zinc/93/50/69/1303935069.db2.gz NHHQNOSJRBRBKD-PXNSSMCTSA-N 1 3 331.504 2.245 20 30 EEEDHO C=C(Cl)C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CCCCC1 ZINC001115730226 1305682234 /nfs/dbraw/zinc/68/22/34/1305682234.db2.gz GEJBMMROYJKVAE-AWEZNQCLSA-N 1 3 327.900 2.489 20 30 EEEDHO CCCCCCCCCC[C@@H](O)C[NH2+]CCCC[C@H](N)C(N)=O ZINC001246008174 1310207930 /nfs/dbraw/zinc/20/79/30/1310207930.db2.gz OXIBHJJRDJIHTG-SJORKVTESA-N 1 3 329.529 2.451 20 30 EEEDHO CN1CCN(C2CC[NH+](Cc3c[nH]c4ccc(C#N)cc34)CC2)CC1 ZINC001140114748 1314812413 /nfs/dbraw/zinc/81/24/13/1314812413.db2.gz YGYYCPHZTQWPDP-UHFFFAOYSA-N 1 3 337.471 2.251 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928686 1320990384 /nfs/dbraw/zinc/99/03/84/1320990384.db2.gz NFFAJCVOSRFEFM-SFHVURJKSA-N 1 3 329.488 2.318 20 30 EEEDHO C#CCNCCN(CCc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001162982558 1321004456 /nfs/dbraw/zinc/00/44/56/1321004456.db2.gz HXNZWJCCQFVUJC-UHFFFAOYSA-N 1 3 329.488 2.012 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205307221 1322347282 /nfs/dbraw/zinc/34/72/82/1322347282.db2.gz VVOQICYWVWCFDQ-RBUKOAKNSA-N 1 3 345.462 2.075 20 30 EEEDHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc(C#N)ccc2F)C1)N(C)C ZINC001100683867 1338636268 /nfs/dbraw/zinc/63/62/68/1338636268.db2.gz WAWYGFXOTLUNDU-PVARCSIZSA-N 1 3 346.450 2.022 20 30 EEEDHO CCN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC001372479674 1376030605 /nfs/dbraw/zinc/03/06/05/1376030605.db2.gz GPTHNFRZEJZPLT-UHFFFAOYSA-N 1 3 342.487 2.372 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001375520351 1377811463 /nfs/dbraw/zinc/81/14/63/1377811463.db2.gz XKNKKLCBOZORND-OTWHNJEPSA-N 1 3 342.487 2.129 20 30 EEEDHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC001392234554 1389916901 /nfs/dbraw/zinc/91/69/01/1389916901.db2.gz OVDWHVKFZZLMRV-QGZVFWFLSA-N 1 3 348.516 2.334 20 30 EEEDHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC001392769768 1390190390 /nfs/dbraw/zinc/19/03/90/1390190390.db2.gz ZQBRJDQVWMHXDY-SFHVURJKSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC001574517328 1403522232 /nfs/dbraw/zinc/52/22/32/1403522232.db2.gz MHOAHHHQCXPLMO-ICSRJNTNSA-N 1 3 325.456 2.085 20 30 EEEDHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001755770233 1407830982 /nfs/dbraw/zinc/83/09/82/1407830982.db2.gz QJZDZDCXZFVODB-KBPBESRZSA-N 1 3 335.414 2.129 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2CC)CC1 ZINC001087839338 782350753 /nfs/dbraw/zinc/35/07/53/782350753.db2.gz VIEOWWZYVJEMFA-RBUKOAKNSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H]2CC)CC1 ZINC001087839338 782350762 /nfs/dbraw/zinc/35/07/62/782350762.db2.gz VIEOWWZYVJEMFA-RBUKOAKNSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCCC)C[C@@H]3C2)CC1 ZINC000980257923 774203257 /nfs/dbraw/zinc/20/32/57/774203257.db2.gz VRDGBUZVOOBEMU-HSALFYBXSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCCC)C[C@@H]3C2)CC1 ZINC000980257923 774203259 /nfs/dbraw/zinc/20/32/59/774203259.db2.gz VRDGBUZVOOBEMU-HSALFYBXSA-N 1 3 345.531 2.348 20 30 EEEDHO C=CCN1CC[C@]2(C1)C[C@H](NC(=O)CC[NH+](C)C)c1ccccc1O2 ZINC001111531804 790358505 /nfs/dbraw/zinc/35/85/05/790358505.db2.gz IXONNERSDGYOLS-FXAWDEMLSA-N 1 3 343.471 2.209 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001135744209 784352090 /nfs/dbraw/zinc/35/20/90/784352090.db2.gz XTFSMKGCCJPGML-HUUCEWRRSA-N 1 3 348.466 2.412 20 30 EEEDHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001136032001 785013572 /nfs/dbraw/zinc/01/35/72/785013572.db2.gz UNZLPDRWCQRACQ-ZIAGYGMSSA-N 1 3 339.443 2.205 20 30 EEEDHO C=CCN1CC2(C1)CCN(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC001035856849 785296750 /nfs/dbraw/zinc/29/67/50/785296750.db2.gz WAIAVCXRSIGAIF-UHFFFAOYSA-N 1 3 327.472 2.472 20 30 EEEDHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1)N(C)C ZINC000996313931 786253940 /nfs/dbraw/zinc/25/39/40/786253940.db2.gz GRHBDRYSMDMGEP-ROUUACIJSA-N 1 3 342.487 2.225 20 30 EEEDHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1)N(C)C ZINC000997010209 788457403 /nfs/dbraw/zinc/45/74/03/788457403.db2.gz RKGLDXHLCKKTRS-SFHVURJKSA-N 1 3 346.450 2.118 20 30 EEEDHO CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942514 793035478 /nfs/dbraw/zinc/03/54/78/793035478.db2.gz UHNSMLSFYYGGFP-MSOLQXFVSA-N 1 3 331.504 2.055 20 30 EEEDHO C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199998 795240194 /nfs/dbraw/zinc/24/01/94/795240194.db2.gz UQOPJNBYRCZRMT-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902322 796439980 /nfs/dbraw/zinc/43/99/80/796439980.db2.gz IYXONHUYPABLMX-UYAOXDASSA-N 1 3 339.483 2.308 20 30 EEEDHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902322 796439983 /nfs/dbraw/zinc/43/99/83/796439983.db2.gz IYXONHUYPABLMX-UYAOXDASSA-N 1 3 339.483 2.308 20 30 EEEDHO C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001171498982 796605886 /nfs/dbraw/zinc/60/58/86/796605886.db2.gz DKEKNXZFYUUXCR-ZIAGYGMSSA-N 1 3 348.329 2.500 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001407 797246591 /nfs/dbraw/zinc/24/65/91/797246591.db2.gz CPPLTSLSYGUCFX-VQIMIIECSA-N 1 3 327.472 2.354 20 30 EEEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001082724049 797664519 /nfs/dbraw/zinc/66/45/19/797664519.db2.gz AWIYITDUAXGXRO-ATZDWAIDSA-N 1 3 342.487 2.081 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504680 798103808 /nfs/dbraw/zinc/10/38/08/798103808.db2.gz XWGLXKUVCIZRIK-MJGOQNOKSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)[C@@H]2C)CC1 ZINC000994504680 798103811 /nfs/dbraw/zinc/10/38/11/798103811.db2.gz XWGLXKUVCIZRIK-MJGOQNOKSA-N 1 3 333.520 2.347 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089383413 798283700 /nfs/dbraw/zinc/28/37/00/798283700.db2.gz YGEIACDHXHOSEF-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC(C)(C)C1 ZINC001089383413 798283704 /nfs/dbraw/zinc/28/37/04/798283704.db2.gz YGEIACDHXHOSEF-ZWKOTPCHSA-N 1 3 333.520 2.489 20 30 EEEDHO C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176758420 798570999 /nfs/dbraw/zinc/57/09/99/798570999.db2.gz BKDOOZRVIBGMTE-MSOLQXFVSA-N 1 3 339.524 2.328 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457423 802118310 /nfs/dbraw/zinc/11/83/10/802118310.db2.gz KQFSXIIQPIRTIV-RTBURBONSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004457423 802118314 /nfs/dbraw/zinc/11/83/14/802118314.db2.gz KQFSXIIQPIRTIV-RTBURBONSA-N 1 3 331.504 2.053 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130430772 811629039 /nfs/dbraw/zinc/62/90/39/811629039.db2.gz IFINQDXOCPUVKX-WBVHZDCISA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130430772 811629046 /nfs/dbraw/zinc/62/90/46/811629046.db2.gz IFINQDXOCPUVKX-WBVHZDCISA-N 1 3 347.507 2.122 20 30 EEEDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978739 240315298 /nfs/dbraw/zinc/31/52/98/240315298.db2.gz KLCGPSDTWJEKAK-DNMXQMFDSA-N 1 3 346.450 2.008 20 30 EEEDHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422978739 240315302 /nfs/dbraw/zinc/31/53/02/240315302.db2.gz KLCGPSDTWJEKAK-DNMXQMFDSA-N 1 3 346.450 2.008 20 30 EEEDHO C#CCN1CCC(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)CC1 ZINC000491678346 246107014 /nfs/dbraw/zinc/10/70/14/246107014.db2.gz AVLNQTMGUSRSPV-UHFFFAOYSA-N 1 3 343.471 2.219 20 30 EEEDHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)s1 ZINC000487746984 285249566 /nfs/dbraw/zinc/24/95/66/285249566.db2.gz DXIBDFLKHCLDOR-CQSZACIVSA-N 1 3 334.489 2.108 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)CC1 ZINC000068311259 463120047 /nfs/dbraw/zinc/12/00/47/463120047.db2.gz UBZSJFFNZLNSKW-UHFFFAOYSA-N 1 3 345.462 2.061 20 30 EEEDHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000057138376 463455603 /nfs/dbraw/zinc/45/56/03/463455603.db2.gz NLVHJNZARKWBKE-UHFFFAOYSA-N 1 3 339.483 2.244 20 30 EEEDHO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150966354 463458665 /nfs/dbraw/zinc/45/86/65/463458665.db2.gz ZYYGAHZNOZKBQO-KRWDZBQOSA-N 1 3 329.488 2.375 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC2CCCC2)nc1 ZINC000264110646 464283095 /nfs/dbraw/zinc/28/30/95/464283095.db2.gz QSLKUMGKFYBGQZ-INIZCTEOSA-N 1 3 345.491 2.292 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(=O)C(C)C)cc1 ZINC000264153323 464288410 /nfs/dbraw/zinc/28/84/10/464288410.db2.gz ZVZSISLRHKNUPC-KRWDZBQOSA-N 1 3 345.491 2.170 20 30 EEEDHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000281456269 464460854 /nfs/dbraw/zinc/46/08/54/464460854.db2.gz FYNASECKHITYRY-QRVBRYPASA-N 1 3 336.439 2.183 20 30 EEEDHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000281456269 464460859 /nfs/dbraw/zinc/46/08/59/464460859.db2.gz FYNASECKHITYRY-QRVBRYPASA-N 1 3 336.439 2.183 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000298658407 465463251 /nfs/dbraw/zinc/46/32/51/465463251.db2.gz HLAJFIPZFXGMHL-HKUYNNGSSA-N 1 3 348.535 2.469 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000298658407 465463255 /nfs/dbraw/zinc/46/32/55/465463255.db2.gz HLAJFIPZFXGMHL-HKUYNNGSSA-N 1 3 348.535 2.469 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000341099954 466583975 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20 30 EEEDHO C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557145 682994927 /nfs/dbraw/zinc/99/49/27/682994927.db2.gz FCLYREGYCCKEPT-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001029844223 687306153 /nfs/dbraw/zinc/30/61/53/687306153.db2.gz YSDCQZLONUSWKN-MOPGFXCFSA-N 1 3 342.487 2.179 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1)N(C)C ZINC001029844223 687306158 /nfs/dbraw/zinc/30/61/58/687306158.db2.gz YSDCQZLONUSWKN-MOPGFXCFSA-N 1 3 342.487 2.179 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCCC)C2)CC1 ZINC001132518791 1199802874 /nfs/dbraw/zinc/80/28/74/1199802874.db2.gz OGHBCMAJIMBMSC-PKOBYXMFSA-N 1 3 333.520 2.491 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCCC)C2)CC1 ZINC001132518791 1199802878 /nfs/dbraw/zinc/80/28/78/1199802878.db2.gz OGHBCMAJIMBMSC-PKOBYXMFSA-N 1 3 333.520 2.491 20 30 EEEDHO CC[C@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)[NH+](CC)CC ZINC001133684485 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C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053096845 1245895637 /nfs/dbraw/zinc/89/56/37/1245895637.db2.gz ALAGMJPFLAVIBZ-FUHWJXTLSA-N 1 3 328.460 2.069 20 30 EEEDHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001101039475 1259602788 /nfs/dbraw/zinc/60/27/88/1259602788.db2.gz NIJGOCYAFCOKGX-UHFFFAOYSA-N 1 3 345.462 2.002 20 30 EEEDHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC#Cc1ccccc1 ZINC001216464404 1297180440 /nfs/dbraw/zinc/18/04/40/1297180440.db2.gz PCRMLMULAHVLAE-UYAOXDASSA-N 1 3 341.499 2.207 20 30 EEEDHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)CCCO1 ZINC001201669044 1289708397 /nfs/dbraw/zinc/70/83/97/1289708397.db2.gz OKCOAXYDPQHMSF-GOSISDBHSA-N 1 3 339.524 2.282 20 30 EEEDHO C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001073599703 1297295085 /nfs/dbraw/zinc/29/50/85/1297295085.db2.gz LHTPOVCFKLBTFQ-ROUUACIJSA-N 1 3 337.508 2.033 20 30 EEEDHO C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001073599703 1297295095 /nfs/dbraw/zinc/29/50/95/1297295095.db2.gz LHTPOVCFKLBTFQ-ROUUACIJSA-N 1 3 337.508 2.033 20 30 EEEDHO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCNC2)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218552280 1297709064 /nfs/dbraw/zinc/70/90/64/1297709064.db2.gz DIVHGWUMFSAQDH-IJLUTSLNSA-N 1 3 332.473 2.228 20 30 EEEDHO CCCCCCCN1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344720 1298367725 /nfs/dbraw/zinc/36/77/25/1298367725.db2.gz HJXMUAAFFVXIKG-KURKYZTESA-N 1 3 341.540 2.239 20 30 EEEDHO C=CCN1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001220868310 1298566843 /nfs/dbraw/zinc/56/68/43/1298566843.db2.gz GEIFLXCUCJLELU-CVEARBPZSA-N 1 3 333.501 2.263 20 30 EEEDHO CCOCC[NH+]1CCC2(CCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277859208 1304939847 /nfs/dbraw/zinc/93/98/47/1304939847.db2.gz WNGNLKKMGNWHEG-UHFFFAOYSA-N 1 3 330.476 2.221 20 30 EEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001235280404 1305176579 /nfs/dbraw/zinc/17/65/79/1305176579.db2.gz JJUKMNLLXIDJNV-OALUTQOASA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001235280404 1305176583 /nfs/dbraw/zinc/17/65/83/1305176583.db2.gz JJUKMNLLXIDJNV-OALUTQOASA-N 1 3 349.519 2.129 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120400651 1309510553 /nfs/dbraw/zinc/51/05/53/1309510553.db2.gz DOBZDYSLCWFOSU-ZWKOTPCHSA-N 1 3 333.520 2.443 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120400651 1309510559 /nfs/dbraw/zinc/51/05/59/1309510559.db2.gz DOBZDYSLCWFOSU-ZWKOTPCHSA-N 1 3 333.520 2.443 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120400635 1309510621 /nfs/dbraw/zinc/51/06/21/1309510621.db2.gz DOBZDYSLCWFOSU-MSOLQXFVSA-N 1 3 333.520 2.443 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N(C)CC)C1 ZINC001120400635 1309510625 /nfs/dbraw/zinc/51/06/25/1309510625.db2.gz DOBZDYSLCWFOSU-MSOLQXFVSA-N 1 3 333.520 2.443 20 30 EEEDHO C[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC[NH2+]1 ZINC001246770062 1310423295 /nfs/dbraw/zinc/42/32/95/1310423295.db2.gz SSCORTLBHCWOGH-OXFYSEKESA-N 1 3 338.455 2.128 20 30 EEEDHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CCN1 ZINC001246770062 1310423305 /nfs/dbraw/zinc/42/33/05/1310423305.db2.gz SSCORTLBHCWOGH-OXFYSEKESA-N 1 3 338.455 2.128 20 30 EEEDHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CCN1 ZINC001246770062 1310423314 /nfs/dbraw/zinc/42/33/14/1310423314.db2.gz SSCORTLBHCWOGH-OXFYSEKESA-N 1 3 338.455 2.128 20 30 EEEDHO C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777918 1316371966 /nfs/dbraw/zinc/37/19/66/1316371966.db2.gz HLUMNFSPSKRREH-SFHVURJKSA-N 1 3 339.524 2.280 20 30 EEEDHO C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001150777918 1316371969 /nfs/dbraw/zinc/37/19/69/1316371969.db2.gz HLUMNFSPSKRREH-SFHVURJKSA-N 1 3 339.524 2.280 20 30 EEEDHO CC(C)[C@@H](C(=O)NCCNCc1ccc(C#N)c(F)c1)[NH+]1CCCC1 ZINC001152471014 1316676580 /nfs/dbraw/zinc/67/65/80/1316676580.db2.gz IHOOFKQQISFLHL-SFHVURJKSA-N 1 3 346.450 2.024 20 30 EEEDHO N#CC1(c2ccc(F)cc2)CCC(N2CCN(CCC[NH3+])CC2)CC1 ZINC001254348601 1318048702 /nfs/dbraw/zinc/04/87/02/1318048702.db2.gz UCWZKYOZSBUVFK-UHFFFAOYSA-N 1 3 344.478 2.496 20 30 EEEDHO CN(C)[C@H](C(=O)NCCC[NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC001159914516 1320019818 /nfs/dbraw/zinc/01/98/18/1320019818.db2.gz DCLGNTYOMYGJRT-SFHVURJKSA-N 1 3 347.890 2.128 20 30 EEEDHO C=CCCOc1ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161449571 1320504650 /nfs/dbraw/zinc/50/46/50/1320504650.db2.gz OLPPSBOFRULOLY-SFHVURJKSA-N 1 3 345.487 2.397 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N(C)CC ZINC001162850657 1320974291 /nfs/dbraw/zinc/97/42/91/1320974291.db2.gz PIGDZTCLGQASCZ-UHFFFAOYSA-N 1 3 343.515 2.401 20 30 EEEDHO CN(C)/C=N/c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1C#N ZINC001163286199 1321088157 /nfs/dbraw/zinc/08/81/57/1321088157.db2.gz ZQAFQLIGXBIENP-MTPHROMXSA-N 1 3 341.459 2.350 20 30 EEEDHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001210217051 1325202726 /nfs/dbraw/zinc/20/27/26/1325202726.db2.gz CHEPVSFKMJNWPS-CQSZACIVSA-N 1 3 334.489 2.042 20 30 EEEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001578416823 1344276521 /nfs/dbraw/zinc/27/65/21/1344276521.db2.gz FXDYVZNDUBAQCX-SFHVURJKSA-N 1 3 342.487 2.228 20 30 EEEDHO COc1ccc(C#N)cc1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001579185747 1344349603 /nfs/dbraw/zinc/34/96/03/1344349603.db2.gz MELBTUFROBWCHS-WDYCEAGBSA-N 1 3 329.444 2.285 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001393392035 1390424103 /nfs/dbraw/zinc/42/41/03/1390424103.db2.gz QEJQNSRBUUPSBI-LPHOPBHVSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001393392035 1390424107 /nfs/dbraw/zinc/42/41/07/1390424107.db2.gz QEJQNSRBUUPSBI-LPHOPBHVSA-N 1 3 342.487 2.227 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001752834157 1406461192 /nfs/dbraw/zinc/46/11/92/1406461192.db2.gz ORADHAWEKJVHJB-MSOLQXFVSA-N 1 3 333.520 2.443 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001752834157 1406461194 /nfs/dbraw/zinc/46/11/94/1406461194.db2.gz ORADHAWEKJVHJB-MSOLQXFVSA-N 1 3 333.520 2.443 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001753874985 1406776100 /nfs/dbraw/zinc/77/61/00/1406776100.db2.gz CXOAYORWHKXADS-RTBURBONSA-N 1 3 333.520 2.445 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001753874985 1406776108 /nfs/dbraw/zinc/77/61/08/1406776108.db2.gz CXOAYORWHKXADS-RTBURBONSA-N 1 3 333.520 2.445 20 30 EEEDHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001400806275 1396599391 /nfs/dbraw/zinc/59/93/91/1396599391.db2.gz ADVQRMXKCQODGZ-QGZVFWFLSA-N 1 3 328.460 2.027 20 30 EEEDHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1)N(C)C ZINC001400928357 1396734606 /nfs/dbraw/zinc/73/46/06/1396734606.db2.gz ZYPWPNYVPXRXMQ-GOSISDBHSA-N 1 3 342.487 2.417 20 30 EEEDHO C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458842 760851748 /nfs/dbraw/zinc/85/17/48/760851748.db2.gz QSBKCWBXLMHLDT-MJGOQNOKSA-N 1 3 333.520 2.301 20 30 EEEDHO C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC001075458842 760851761 /nfs/dbraw/zinc/85/17/61/760851761.db2.gz QSBKCWBXLMHLDT-MJGOQNOKSA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753469 765201102 /nfs/dbraw/zinc/20/11/02/765201102.db2.gz BZNXEUYVRVYPEI-GUDVDZBRSA-N 1 3 333.520 2.347 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC001203454955 773517163 /nfs/dbraw/zinc/51/71/63/773517163.db2.gz BMFFFBCUWIRDFF-UHFFFAOYSA-N 1 3 346.450 2.120 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC001027972609 775464055 /nfs/dbraw/zinc/46/40/55/775464055.db2.gz WZQFXHUPRQHPMF-RTBURBONSA-N 1 3 340.471 2.123 20 30 EEEDHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001027972609 775464058 /nfs/dbraw/zinc/46/40/58/775464058.db2.gz WZQFXHUPRQHPMF-RTBURBONSA-N 1 3 340.471 2.123 20 30 EEEDHO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860598 790874361 /nfs/dbraw/zinc/87/43/61/790874361.db2.gz SVRCEJQYNJLXHZ-RVKKMQEKSA-N 1 3 325.472 2.354 20 30 EEEDHO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860598 790874376 /nfs/dbraw/zinc/87/43/76/790874376.db2.gz SVRCEJQYNJLXHZ-RVKKMQEKSA-N 1 3 325.472 2.354 20 30 EEEDHO C[C@@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)NCc1ccccc1C#N ZINC001135390630 783710482 /nfs/dbraw/zinc/71/04/82/783710482.db2.gz LUXXCPONAMMBBH-HOTGVXAUSA-N 1 3 342.487 2.273 20 30 EEEDHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135744322 784353274 /nfs/dbraw/zinc/35/32/74/784353274.db2.gz ZOQGEFCPFCMDGS-JKSUJKDBSA-N 1 3 330.476 2.273 20 30 EEEDHO C=CCCC[C@H](N)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000911743455 787679939 /nfs/dbraw/zinc/67/99/39/787679939.db2.gz CTIGCMYRASXIHS-SJORKVTESA-N 1 3 345.443 2.218 20 30 EEEDHO C=CCN1CCC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001006002481 789235082 /nfs/dbraw/zinc/23/50/82/789235082.db2.gz XBWYBTHOHZJRJH-SFHVURJKSA-N 1 3 325.472 2.308 20 30 EEEDHO C=CCN1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001006002481 789235089 /nfs/dbraw/zinc/23/50/89/789235089.db2.gz XBWYBTHOHZJRJH-SFHVURJKSA-N 1 3 325.472 2.308 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146592995 791362457 /nfs/dbraw/zinc/36/24/57/791362457.db2.gz LPYPIMSQGRRZGY-CABCVRRESA-N 1 3 348.466 2.410 20 30 EEEDHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001147826438 791984253 /nfs/dbraw/zinc/98/42/53/791984253.db2.gz VQUNVPTYGSGKRD-RDJZCZTQSA-N 1 3 346.450 2.024 20 30 EEEDHO CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071313 793534175 /nfs/dbraw/zinc/53/41/75/793534175.db2.gz QDAQJQBCNFNHRU-GGPKGHCWSA-N 1 3 331.504 2.053 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071313 793534179 /nfs/dbraw/zinc/53/41/79/793534179.db2.gz QDAQJQBCNFNHRU-GGPKGHCWSA-N 1 3 331.504 2.053 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999405811 794420159 /nfs/dbraw/zinc/42/01/59/794420159.db2.gz JLSXFFXVNFVVKV-VNCLNFNDSA-N 1 3 340.471 2.122 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430777 796222167 /nfs/dbraw/zinc/22/21/67/796222167.db2.gz WAFVQRAFKBHZNC-QWFCFKBJSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3CCC)CCC[C@@H]12 ZINC001094430777 796222170 /nfs/dbraw/zinc/22/21/70/796222170.db2.gz WAFVQRAFKBHZNC-QWFCFKBJSA-N 1 3 331.504 2.245 20 30 EEEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001171872303 796760806 /nfs/dbraw/zinc/76/08/06/796760806.db2.gz BPYZBTDRXLPFJJ-SARBKMAYSA-N 1 3 349.519 2.080 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CC2CCC(C)CC2)CC1 ZINC001176926831 798630881 /nfs/dbraw/zinc/63/08/81/798630881.db2.gz WXNATYPWZIYDMB-UHFFFAOYSA-N 1 3 333.520 2.254 20 30 EEEDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176986110 798674359 /nfs/dbraw/zinc/67/43/59/798674359.db2.gz FAYIWTDCNPTNRM-GOSISDBHSA-N 1 3 346.450 2.168 20 30 EEEDHO C[C@H]1[C@@H](NCC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001179481523 799946907 /nfs/dbraw/zinc/94/69/07/799946907.db2.gz IILZDURFFKNPLX-YJBOKZPZSA-N 1 3 347.890 2.222 20 30 EEEDHO C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549377 802351798 /nfs/dbraw/zinc/35/17/98/802351798.db2.gz YOERFWNGTGKMAP-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549377 802351806 /nfs/dbraw/zinc/35/18/06/802351806.db2.gz YOERFWNGTGKMAP-HKUYNNGSSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001086557664 807204154 /nfs/dbraw/zinc/20/41/54/807204154.db2.gz AEFCXTKCBVCFSO-KESTWPANSA-N 1 3 343.515 2.316 20 30 EEEDHO C=CCCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001130398929 811610523 /nfs/dbraw/zinc/61/05/23/811610523.db2.gz IFINQDXOCPUVKX-NVXWUHKLSA-N 1 3 347.507 2.122 20 30 EEEDHO C=CCCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001130398929 811610529 /nfs/dbraw/zinc/61/05/29/811610529.db2.gz IFINQDXOCPUVKX-NVXWUHKLSA-N 1 3 347.507 2.122 20 30 EEEDHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001438461411 1090970226 /nfs/dbraw/zinc/97/02/26/1090970226.db2.gz WUHUFKYLAGCWKO-QGZVFWFLSA-N 1 3 346.450 2.120 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001438959271 1091652016 /nfs/dbraw/zinc/65/20/16/1091652016.db2.gz HZAZWLFIIZOFNB-RTBURBONSA-N 1 3 342.487 2.275 20 30 EEEDHO C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001496083766 1102031035 /nfs/dbraw/zinc/03/10/35/1102031035.db2.gz WVKHDPRWNVNTEF-CQSZACIVSA-N 1 3 346.450 2.118 20 30 EEEDHO C=C[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000495178235 247079931 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C[NH+](C)CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000554551995 468420311 /nfs/dbraw/zinc/42/03/11/468420311.db2.gz SBAJCLWCHBYLMB-AEFFLSMTSA-N 1 3 333.476 2.254 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000417058103 466766534 /nfs/dbraw/zinc/76/65/34/466766534.db2.gz DOYMEZVNMYQWKK-INDMIFKZSA-N 1 3 348.535 2.372 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428689749 467259457 /nfs/dbraw/zinc/25/94/57/467259457.db2.gz IOZZIWTXAYUAHP-UHFFFAOYSA-N 1 3 334.508 2.201 20 30 EEEDHO C=CCN1CCC(NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000454552317 467600536 /nfs/dbraw/zinc/60/05/36/467600536.db2.gz UCGRFEULXOEGIJ-SFHVURJKSA-N 1 3 336.524 2.447 20 30 EEEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1conc1C(C)(C)N)C(C)C ZINC000577963086 468194561 /nfs/dbraw/zinc/19/45/61/468194561.db2.gz OEVDWMRAXZWUCU-HNNXBMFYSA-N 1 3 334.464 2.297 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C#N)CC(C)C)CC2)CC1 ZINC000594287421 468543204 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20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC)CC1 ZINC001089735445 774814659 /nfs/dbraw/zinc/81/46/59/774814659.db2.gz LCHXNHREPJAIHF-SFHVURJKSA-N 1 3 333.520 2.348 20 30 EEEDHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001106910781 774985897 /nfs/dbraw/zinc/98/58/97/774985897.db2.gz OICFEZVSUNEJLD-VQIMIIECSA-N 1 3 342.487 2.084 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@]2(C)C1 ZINC000982296084 779606494 /nfs/dbraw/zinc/60/64/94/779606494.db2.gz JLJWBNSCMWQZOA-RLLQIKCJSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1C[C@]2(C)CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC000982296084 779606498 /nfs/dbraw/zinc/60/64/98/779606498.db2.gz JLJWBNSCMWQZOA-RLLQIKCJSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001105394071 781772005 /nfs/dbraw/zinc/77/20/05/781772005.db2.gz NVUGAMZCWKSCNT-IBGZPJMESA-N 1 3 331.504 2.055 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001035051870 783658398 /nfs/dbraw/zinc/65/83/98/783658398.db2.gz SPCQQNQEMQFCLB-VQIMIIECSA-N 1 3 340.471 2.123 20 30 EEEDHO C=C(Br)CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135960706 784900871 /nfs/dbraw/zinc/90/08/71/784900871.db2.gz GMTIYJPDWAJDDQ-ZIAGYGMSSA-N 1 3 348.329 2.500 20 30 EEEDHO C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942404 793034838 /nfs/dbraw/zinc/03/48/38/793034838.db2.gz PWTXDNVCXUVUSU-ROUUACIJSA-N 1 3 331.504 2.197 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC000999434389 794457613 /nfs/dbraw/zinc/45/76/13/794457613.db2.gz MUVIMVNVRNMIGN-MOPGFXCFSA-N 1 3 342.487 2.225 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115782 796657082 /nfs/dbraw/zinc/65/70/82/796657082.db2.gz NVOYLYIXMXRQGM-ZCNNSNEGSA-N 1 3 339.483 2.077 20 30 EEEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1ccccc1 ZINC001081115782 796657087 /nfs/dbraw/zinc/65/70/87/796657087.db2.gz NVOYLYIXMXRQGM-ZCNNSNEGSA-N 1 3 339.483 2.077 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001081179774 796679850 /nfs/dbraw/zinc/67/98/50/796679850.db2.gz JNQIPLWHYXWMEU-NZSAHSFTSA-N 1 3 327.472 2.241 20 30 EEEDHO CC(C)N(C)CC(=O)NCCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001176981005 798672074 /nfs/dbraw/zinc/67/20/74/798672074.db2.gz WCLOFZZQDXXBPA-UHFFFAOYSA-N 1 3 335.879 2.128 20 30 EEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177416253 798934211 /nfs/dbraw/zinc/93/42/11/798934211.db2.gz XNEJQWAAASBJOE-GOSISDBHSA-N 1 3 333.520 2.350 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001179982881 800197972 /nfs/dbraw/zinc/19/79/72/800197972.db2.gz GATULYIPXHHGHC-KSSFIOAISA-N 1 3 346.450 2.118 20 30 EEEDHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001180221566 800314390 /nfs/dbraw/zinc/31/43/90/800314390.db2.gz AFFZAGMJNXUNQK-KSSFIOAISA-N 1 3 346.450 2.117 20 30 EEEDHO C#CCN1CCC(C(=O)NCCCCCC[NH2+]CC2CCC2)CC1 ZINC001180360580 800377133 /nfs/dbraw/zinc/37/71/33/800377133.db2.gz JGAMJRQSWKFWNF-UHFFFAOYSA-N 1 3 333.520 2.398 20 30 EEEDHO C=C(CN1CCCC1)C(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001183044518 801438455 /nfs/dbraw/zinc/43/84/55/801438455.db2.gz JFPISOUEZYHJFD-UHFFFAOYSA-N 1 3 328.460 2.127 20 30 EEEDHO C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001184411558 802023867 /nfs/dbraw/zinc/02/38/67/802023867.db2.gz DVGMNYQTHRETTN-QZTJIDSGSA-N 1 3 333.520 2.348 20 30 EEEDHO C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001437020921 1088811644 /nfs/dbraw/zinc/81/16/44/1088811644.db2.gz LFWFOXYPVBEYCO-KBPBESRZSA-N 1 3 346.313 2.063 20 30 EEEDHO C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439376724 1092116964 /nfs/dbraw/zinc/11/69/64/1092116964.db2.gz BXBSAXUFCHNPKL-INIZCTEOSA-N 1 3 342.487 2.227 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H]1C ZINC001448983537 1093987245 /nfs/dbraw/zinc/98/72/45/1093987245.db2.gz RSULWASLBBCYKZ-RDTXWAMCSA-N 1 3 346.450 2.118 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H]1C ZINC001448983537 1093987247 /nfs/dbraw/zinc/98/72/47/1093987247.db2.gz RSULWASLBBCYKZ-RDTXWAMCSA-N 1 3 346.450 2.118 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000491676740 533101517 /nfs/dbraw/zinc/10/15/17/533101517.db2.gz PDVFXUBWDDDVJN-IBGZPJMESA-N 1 3 348.535 2.095 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](N[C@H](C)CC)c2ccco2)CC1 ZINC000491474447 533148681 /nfs/dbraw/zinc/14/86/81/533148681.db2.gz MUHMVBQPDRRUQD-NVXWUHKLSA-N 1 3 331.460 2.170 20 30 EEEDHO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000491486927 533163213 /nfs/dbraw/zinc/16/32/13/533163213.db2.gz ZGPPMUDVYCWOHI-IBGZPJMESA-N 1 3 327.472 2.018 20 30 EEEDHO C#CCNC(=O)CCNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000491486927 533163216 /nfs/dbraw/zinc/16/32/16/533163216.db2.gz ZGPPMUDVYCWOHI-IBGZPJMESA-N 1 3 327.472 2.018 20 30 EEEDHO C#CCNC(=O)CCNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000491486927 533163220 /nfs/dbraw/zinc/16/32/20/533163220.db2.gz ZGPPMUDVYCWOHI-IBGZPJMESA-N 1 3 327.472 2.018 20 30 EEEDHO COc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000268982955 255508518 /nfs/dbraw/zinc/50/85/18/255508518.db2.gz RPCCTTBLRQRBKP-ZWKOTPCHSA-N 1 3 329.444 2.034 20 30 EEEDHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290989098 266026349 /nfs/dbraw/zinc/02/63/49/266026349.db2.gz SJNUOBBLFKPDIP-QAPCUYQASA-N 1 3 326.444 2.477 20 30 EEEDHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290989098 266026353 /nfs/dbraw/zinc/02/63/53/266026353.db2.gz SJNUOBBLFKPDIP-QAPCUYQASA-N 1 3 326.444 2.477 20 30 EEEDHO C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000349989612 533704639 /nfs/dbraw/zinc/70/46/39/533704639.db2.gz HFGUHQSRWNBZGM-WMLDXEAASA-N 1 3 326.444 2.333 20 30 EEEDHO Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000349302384 466058604 /nfs/dbraw/zinc/05/86/04/466058604.db2.gz WOYVWLSZUMKAAY-QGZVFWFLSA-N 1 3 326.488 2.467 20 30 EEEDHO Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)ccc1C#N ZINC000349302384 466058609 /nfs/dbraw/zinc/05/86/09/466058609.db2.gz WOYVWLSZUMKAAY-QGZVFWFLSA-N 1 3 326.488 2.467 20 30 EEEDHO Cc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1C#N ZINC000349302384 466058614 /nfs/dbraw/zinc/05/86/14/466058614.db2.gz WOYVWLSZUMKAAY-QGZVFWFLSA-N 1 3 326.488 2.467 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000340962809 466470171 /nfs/dbraw/zinc/47/01/71/466470171.db2.gz SVIOCGXGGLNDLF-RCCFBDPRSA-N 1 3 336.524 2.467 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000340962809 466470179 /nfs/dbraw/zinc/47/01/79/466470179.db2.gz SVIOCGXGGLNDLF-RCCFBDPRSA-N 1 3 336.524 2.467 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000417057948 466766713 /nfs/dbraw/zinc/76/67/13/466766713.db2.gz CTLGLYLPKDOITO-OKZBNKHCSA-N 1 3 336.524 2.372 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000417059873 466767456 /nfs/dbraw/zinc/76/74/56/466767456.db2.gz IVDBXQIXXNNNSH-SJLPKXTDSA-N 1 3 336.524 2.454 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000376744324 466928665 /nfs/dbraw/zinc/92/86/65/466928665.db2.gz SAKNAFHGZYTDJL-AEFFLSMTSA-N 1 3 334.508 2.295 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000425648263 467118738 /nfs/dbraw/zinc/11/87/38/467118738.db2.gz GSDFQSHBBNLCHQ-IPMKNSEASA-N 1 3 348.535 2.421 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)C(C)C ZINC000425648263 467118741 /nfs/dbraw/zinc/11/87/41/467118741.db2.gz GSDFQSHBBNLCHQ-IPMKNSEASA-N 1 3 348.535 2.421 20 30 EEEDHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528370518 467681170 /nfs/dbraw/zinc/68/11/70/467681170.db2.gz DUOLYYSXIDXCQA-LJQANCHMSA-N 1 3 345.487 2.350 20 30 EEEDHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528370518 467681172 /nfs/dbraw/zinc/68/11/72/467681172.db2.gz DUOLYYSXIDXCQA-LJQANCHMSA-N 1 3 345.487 2.350 20 30 EEEDHO C#CCN1CCC(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000490635304 468228554 /nfs/dbraw/zinc/22/85/54/468228554.db2.gz FTZYTLUQSRCCFQ-KRWDZBQOSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000490635304 468228557 /nfs/dbraw/zinc/22/85/57/468228557.db2.gz FTZYTLUQSRCCFQ-KRWDZBQOSA-N 1 3 333.520 2.348 20 30 EEEDHO COc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C#N ZINC000593315543 468936331 /nfs/dbraw/zinc/93/63/31/468936331.db2.gz LEVNTQUOGCCKQO-LNLFQRSKSA-N 1 3 329.444 2.285 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660596265 471407864 /nfs/dbraw/zinc/40/78/64/471407864.db2.gz BMZAMZLXBXUJCQ-QGZVFWFLSA-N 1 3 336.524 2.447 20 30 EEEDHO C(=NNCC[NH+]1CCCCC1)C1(CN2CCOCC2)CCCCC1 ZINC000751130872 576496209 /nfs/dbraw/zinc/49/62/09/576496209.db2.gz NNYNTRZCDZOEHR-UHFFFAOYSA-N 1 3 336.524 2.330 20 30 EEEDHO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133653 675633906 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333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001025629521 683161135 /nfs/dbraw/zinc/16/11/35/683161135.db2.gz HWLRRGYENOFNGH-HKUYNNGSSA-N 1 3 333.520 2.348 20 30 EEEDHO CCN(CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)C1 ZINC000262382797 685717917 /nfs/dbraw/zinc/71/79/17/685717917.db2.gz KUIWBTCMCMYQNY-TWMKSMIVSA-N 1 3 336.524 2.182 20 30 EEEDHO C[NH+]=C(NCCSC(F)(F)F)N1CC[C@H](N2CCCCC2)C1 ZINC000262445891 686108065 /nfs/dbraw/zinc/10/80/65/686108065.db2.gz IOIFKDWJNSPLHK-LBPRGKRZSA-N 1 3 338.443 2.375 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)CC1 ZINC001029597321 686468755 /nfs/dbraw/zinc/46/87/55/686468755.db2.gz OTMJUDRDYOXTRF-KDURUIRLSA-N 1 3 331.504 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)CC1 ZINC001029597321 686468758 /nfs/dbraw/zinc/46/87/58/686468758.db2.gz OTMJUDRDYOXTRF-KDURUIRLSA-N 1 3 331.504 2.053 20 30 EEEDHO C[NH+]=C(NCC1(CCO)CCCC1)N1CC[C@H](N2CCCCC2)C1 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C#CCN1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF)CC1 ZINC001146613921 791377148 /nfs/dbraw/zinc/37/71/48/791377148.db2.gz VLWKKPDSULBBRC-DLBZAZTESA-N 1 3 339.499 2.344 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC#CC)CC2)CC1 ZINC000998199019 792195393 /nfs/dbraw/zinc/19/53/93/792195393.db2.gz PPEBZQQEZODUKN-HXUWFJFHSA-N 1 3 343.515 2.058 20 30 EEEDHO C#CCN1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC#CC)CC2)CC1 ZINC000998199019 792195401 /nfs/dbraw/zinc/19/54/01/792195401.db2.gz PPEBZQQEZODUKN-HXUWFJFHSA-N 1 3 343.515 2.058 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948055452 793428385 /nfs/dbraw/zinc/42/83/85/793428385.db2.gz CGMRRKHYUNBGRU-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717582 794611995 /nfs/dbraw/zinc/61/19/95/794611995.db2.gz YBTKKWJKGUKPSB-ZWKOTPCHSA-N 1 3 331.504 2.197 20 30 EEEDHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717582 794611999 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347.507 2.122 20 30 EEEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001444305682 1098861505 /nfs/dbraw/zinc/86/15/05/1098861505.db2.gz GDRYKBJPLMAXDE-APWZRJJASA-N 1 3 342.487 2.273 20 30 EEEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNCc1ccccc1C#N ZINC001444305682 1098861529 /nfs/dbraw/zinc/86/15/29/1098861529.db2.gz GDRYKBJPLMAXDE-APWZRJJASA-N 1 3 342.487 2.273 20 30 EEEDHO Cc1cnc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000329244138 539769712 /nfs/dbraw/zinc/76/97/12/539769712.db2.gz POVPWAILYFYTFP-CQSZACIVSA-N 1 3 349.479 2.106 20 30 EEEDHO N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000332224843 268083890 /nfs/dbraw/zinc/08/38/90/268083890.db2.gz WXUTURAFGZUUNK-OALUTQOASA-N 1 3 336.439 2.327 20 30 EEEDHO CC(C)(C)NC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000264111741 464284136 /nfs/dbraw/zinc/28/41/36/464284136.db2.gz RALOPWMVRAEWBV-UHFFFAOYSA-N 1 3 331.508 2.292 20 30 EEEDHO C=CCN(CC=C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000422163374 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C=C(Cl)CN[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001441198874 1094558834 /nfs/dbraw/zinc/55/88/34/1094558834.db2.gz SDRFXMFRWDTZTC-OAHLLOKOSA-N 1 3 327.900 2.488 20 30 EEEDHO CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396792 781943689 /nfs/dbraw/zinc/94/36/89/781943689.db2.gz WHZZJJRTQSVGJI-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)CCC)CC1 ZINC001105396792 781943697 /nfs/dbraw/zinc/94/36/97/781943697.db2.gz WHZZJJRTQSVGJI-FQEVSTJZSA-N 1 3 345.531 2.445 20 30 EEEDHO CCNC(NCC1CCN(Cc2ccc(OC)cc2)CC1)=[NH+]CC ZINC000066244104 462866496 /nfs/dbraw/zinc/86/64/96/462866496.db2.gz AGMRNDUETWNICJ-UHFFFAOYSA-N 1 3 332.492 2.482 20 30 EEEDHO C#CCN1CCC(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000066921736 462946762 /nfs/dbraw/zinc/94/67/62/462946762.db2.gz CQDXUHHUIAIMOF-IAGOWNOFSA-N 1 3 333.520 2.204 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000139057920 463317813 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CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538794 802323725 /nfs/dbraw/zinc/32/37/25/802323725.db2.gz ABDZOSKAMZLZKX-IBGZPJMESA-N 1 3 345.531 2.445 20 30 EEEDHO C#CCNC(=O)CC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000491486928 533163748 /nfs/dbraw/zinc/16/37/48/533163748.db2.gz ZGPPMUDVYCWOHI-LJQANCHMSA-N 1 3 327.472 2.018 20 30 EEEDHO C#CCNC(=O)CCNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000491486928 533163759 /nfs/dbraw/zinc/16/37/59/533163759.db2.gz ZGPPMUDVYCWOHI-LJQANCHMSA-N 1 3 327.472 2.018 20 30 EEEDHO C#CCNC(=O)CCNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000491486928 533163763 /nfs/dbraw/zinc/16/37/63/533163763.db2.gz ZGPPMUDVYCWOHI-LJQANCHMSA-N 1 3 327.472 2.018 20 30 EEEDHO C#CCN1CCC(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000151362553 463518228 /nfs/dbraw/zinc/51/82/28/463518228.db2.gz QDHLNAOHKWTQFN-UHFFFAOYSA-N 1 3 343.471 2.219 20 30 EEEDHO C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000171742021 463918193 /nfs/dbraw/zinc/91/81/93/463918193.db2.gz 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20 30 EEEDHO C=CCN1CCC(CCOC)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001151352305 1316510827 /nfs/dbraw/zinc/51/08/27/1316510827.db2.gz XPRIIXRQSPTKNY-ROUUACIJSA-N 1 3 349.519 2.177 20 30 EEEDHO CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001158206075 1319075527 /nfs/dbraw/zinc/07/55/27/1319075527.db2.gz ZWVZXDINGCKWOV-KBPBESRZSA-N 1 3 345.447 2.004 20 30 EEEDHO C=C(Br)CNCCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159902263 1320015805 /nfs/dbraw/zinc/01/58/05/1320015805.db2.gz WIYDOWWLUQITDL-AWEZNQCLSA-N 1 3 346.313 2.254 20 30 EEEDHO C=C(Br)CNCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159902263 1320015807 /nfs/dbraw/zinc/01/58/07/1320015807.db2.gz WIYDOWWLUQITDL-AWEZNQCLSA-N 1 3 346.313 2.254 20 30 EEEDHO CC[C@H](C(=O)NCCC[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001160883292 1320305651 /nfs/dbraw/zinc/30/56/51/1320305651.db2.gz KJUUULIDHKUJOX-QGZVFWFLSA-N 1 3 335.879 2.128 20 30 EEEDHO C#CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162924262 1320989529 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C=CCOCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208050073 1324289046 /nfs/dbraw/zinc/28/90/46/1324289046.db2.gz URQAOSJCELQNCT-KRWDZBQOSA-N 1 3 337.508 2.034 20 30 EEEDHO C[NH+](C)CCCC(=O)NCC1CC(NCc2ccc(C#N)cc2F)C1 ZINC001100619720 1338556869 /nfs/dbraw/zinc/55/68/69/1338556869.db2.gz DWUXQKJUWBMIRM-UHFFFAOYSA-N 1 3 346.450 2.024 20 30 EEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643843 1371044814 /nfs/dbraw/zinc/04/48/14/1371044814.db2.gz SOARKZVXYVTUNC-VNQPRFMTSA-N 1 3 327.900 2.155 20 30 EEEDHO C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643843 1371044820 /nfs/dbraw/zinc/04/48/20/1371044820.db2.gz SOARKZVXYVTUNC-VNQPRFMTSA-N 1 3 327.900 2.155 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001371690423 1375582571 /nfs/dbraw/zinc/58/25/71/1375582571.db2.gz NSVPOHZXRUCGPU-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001371690423 1375582573 /nfs/dbraw/zinc/58/25/73/1375582573.db2.gz NSVPOHZXRUCGPU-IBGZPJMESA-N 1 3 342.487 2.323 20 30 EEEDHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001374428613 1376807047 /nfs/dbraw/zinc/80/70/47/1376807047.db2.gz WPYKLNLONSZMOM-IBGZPJMESA-N 1 3 342.487 2.273 20 30 EEEDHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1ccc(C#N)cc1F)[NH+](C)C ZINC001378838701 1380204174 /nfs/dbraw/zinc/20/41/74/1380204174.db2.gz AMEOZXLKGILTTM-KBXCAEBGSA-N 1 3 348.466 2.220 20 30 EEEDHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001391692697 1389527688 /nfs/dbraw/zinc/52/76/88/1389527688.db2.gz GLPUYYVTIGXYHD-QGZVFWFLSA-N 1 3 328.460 2.027 20 30 EEEDHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001422744420 1400171080 /nfs/dbraw/zinc/17/10/80/1400171080.db2.gz SAIKMDHGYMFSBP-AWEZNQCLSA-N 1 3 334.489 2.090 20 30 EEEDHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccc(C#N)s3)CCC2)CC[N@@H+]1C ZINC001424179450 1400952215 /nfs/dbraw/zinc/95/22/15/1400952215.db2.gz PWQCVYKLNHGTKF-CZUORRHYSA-N 1 3 346.500 2.088 20 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ZINC001088106533 782920145 /nfs/dbraw/zinc/92/01/45/782920145.db2.gz FZJLSAYXBJVXQX-JTDSTZFVSA-N 1 3 337.483 2.165 20 30 EEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]2C1 ZINC001088106533 782920155 /nfs/dbraw/zinc/92/01/55/782920155.db2.gz FZJLSAYXBJVXQX-JTDSTZFVSA-N 1 3 337.483 2.165 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251725 774191218 /nfs/dbraw/zinc/19/12/18/774191218.db2.gz GCUIFWIAONSPQL-SLFFLAALSA-N 1 3 345.531 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC000980251725 774191223 /nfs/dbraw/zinc/19/12/23/774191223.db2.gz GCUIFWIAONSPQL-SLFFLAALSA-N 1 3 345.531 2.204 20 30 EEEDHO C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093727 777407892 /nfs/dbraw/zinc/40/78/92/777407892.db2.gz PFEPSUXYCZXERS-MOPGFXCFSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093727 777407896 /nfs/dbraw/zinc/40/78/96/777407896.db2.gz PFEPSUXYCZXERS-MOPGFXCFSA-N 1 3 331.504 2.387 20 30 EEEDHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001135743247 784350675 /nfs/dbraw/zinc/35/06/75/784350675.db2.gz HMDVPDUQEKUIDX-CABCVRRESA-N 1 3 348.466 2.412 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001135975764 784924980 /nfs/dbraw/zinc/92/49/80/784924980.db2.gz BZJINHLRYCIDRP-IRXDYDNUSA-N 1 3 347.478 2.392 20 30 EEEDHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000818984604 785350757 /nfs/dbraw/zinc/35/07/57/785350757.db2.gz JBMPSCHVJQQPPH-IBGZPJMESA-N 1 3 339.439 2.322 20 30 EEEDHO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001036224845 786055382 /nfs/dbraw/zinc/05/53/82/786055382.db2.gz MBIOUBYEKPOPFZ-GOEBONIOSA-N 1 3 327.900 2.297 20 30 EEEDHO CN(CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000996667238 787031948 /nfs/dbraw/zinc/03/19/48/787031948.db2.gz YQBGJBKXPDVCDA-UHFFFAOYSA-N 1 3 340.471 2.123 20 30 EEEDHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1)N(C)C ZINC000996690408 787146802 /nfs/dbraw/zinc/14/68/02/787146802.db2.gz XZLKRDYTPOSLNY-IBGZPJMESA-N 1 3 342.487 2.225 20 30 EEEDHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2ccc(C#N)c(F)c2)C1 ZINC001147826436 791985036 /nfs/dbraw/zinc/98/50/36/791985036.db2.gz VQUNVPTYGSGKRD-DOTOQJQBSA-N 1 3 346.450 2.024 20 30 EEEDHO C=CCN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C(F)(F)F ZINC000998304198 792513127 /nfs/dbraw/zinc/51/31/27/792513127.db2.gz MSKNFCPKCSJPDK-LSDHHAIUSA-N 1 3 347.425 2.273 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190773 793653946 /nfs/dbraw/zinc/65/39/46/793653946.db2.gz WYXADADVAFNSSK-SBHAEUEKSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190773 793653951 /nfs/dbraw/zinc/65/39/51/793653951.db2.gz WYXADADVAFNSSK-SBHAEUEKSA-N 1 3 345.531 2.445 20 30 EEEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001079189644 794469606 /nfs/dbraw/zinc/46/96/06/794469606.db2.gz UWHYXXJSCBZQJX-RCCFBDPRSA-N 1 3 333.451 2.236 20 30 EEEDHO CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413806 796201553 /nfs/dbraw/zinc/20/15/53/796201553.db2.gz LDPVMAKOAHCTLR-QWFCFKBJSA-N 1 3 331.504 2.243 20 30 EEEDHO CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413806 796201556 /nfs/dbraw/zinc/20/15/56/796201556.db2.gz LDPVMAKOAHCTLR-QWFCFKBJSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCCF)CC3)CC1 ZINC001094581455 796421849 /nfs/dbraw/zinc/42/18/49/796421849.db2.gz BKDUDVFQNUJTQA-UYAOXDASSA-N 1 3 349.494 2.052 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCF)CC3)CC1 ZINC001094581455 796421850 /nfs/dbraw/zinc/42/18/50/796421850.db2.gz BKDUDVFQNUJTQA-UYAOXDASSA-N 1 3 349.494 2.052 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C12CCC2 ZINC001078667296 796821989 /nfs/dbraw/zinc/82/19/89/796821989.db2.gz BCOGCQQZZGXCFV-LSDHHAIUSA-N 1 3 337.895 2.384 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014170 798610609 /nfs/dbraw/zinc/61/06/09/798610609.db2.gz IXZQKZNCGBUGJS-QYZOEREBSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014170 798610614 /nfs/dbraw/zinc/61/06/14/798610614.db2.gz IXZQKZNCGBUGJS-QYZOEREBSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1CCC(C(=O)NCCC[NH2+]CCC2CCCCC2)CC1 ZINC001176926446 798631185 /nfs/dbraw/zinc/63/11/85/798631185.db2.gz MROAUGGDNYIYCZ-UHFFFAOYSA-N 1 3 333.520 2.398 20 30 EEEDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176986286 798675020 /nfs/dbraw/zinc/67/50/20/798675020.db2.gz JNZVBBWJLXLLNW-SFHVURJKSA-N 1 3 346.450 2.168 20 30 EEEDHO C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004466361 802141205 /nfs/dbraw/zinc/14/12/05/802141205.db2.gz USQURRRMDMCPJL-MOPGFXCFSA-N 1 3 333.520 2.299 20 30 EEEDHO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004466361 802141209 /nfs/dbraw/zinc/14/12/09/802141209.db2.gz USQURRRMDMCPJL-MOPGFXCFSA-N 1 3 333.520 2.299 20 30 EEEDHO CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001108830471 804554157 /nfs/dbraw/zinc/55/41/57/804554157.db2.gz NMPHWRBCXFTOAG-WDSOQIARSA-N 1 3 339.483 2.354 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130423301 811616900 /nfs/dbraw/zinc/61/69/00/811616900.db2.gz OOTDORQRQCRUGF-WBVHZDCISA-N 1 3 347.507 2.122 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)N(C)C)C1 ZINC001130423301 811616903 /nfs/dbraw/zinc/61/69/03/811616903.db2.gz OOTDORQRQCRUGF-WBVHZDCISA-N 1 3 347.507 2.122 20 30 EEEDHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1)N(C)C ZINC001438394853 1090882124 /nfs/dbraw/zinc/88/21/24/1090882124.db2.gz VXXSUCFDODVHOE-GOSISDBHSA-N 1 3 342.487 2.417 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340746 1097859172 /nfs/dbraw/zinc/85/91/72/1097859172.db2.gz KNBXIZSBAXRFBO-IBGZPJMESA-N 1 3 342.487 2.180 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001443340746 1097859180 /nfs/dbraw/zinc/85/91/80/1097859180.db2.gz KNBXIZSBAXRFBO-IBGZPJMESA-N 1 3 342.487 2.180 20 30 EEEDHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290923719 270017757 /nfs/dbraw/zinc/01/77/57/270017757.db2.gz JZKYPLPIVKWEIV-CRAIPNDOSA-N 1 3 326.444 2.477 20 30 EEEDHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290923719 270017758 /nfs/dbraw/zinc/01/77/58/270017758.db2.gz JZKYPLPIVKWEIV-CRAIPNDOSA-N 1 3 326.444 2.477 20 30 EEEDHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000580791037 324129970 /nfs/dbraw/zinc/12/99/70/324129970.db2.gz WWCVUOBNGKBJDA-OAHLLOKOSA-N 1 3 326.448 2.203 20 30 EEEDHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000580791037 324129976 /nfs/dbraw/zinc/12/99/76/324129976.db2.gz WWCVUOBNGKBJDA-OAHLLOKOSA-N 1 3 326.448 2.203 20 30 EEEDHO 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EEEDHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)CC[N@@H+]1C ZINC000329154548 465250642 /nfs/dbraw/zinc/25/06/42/465250642.db2.gz UTNJNIHSPDETJI-WBVHZDCISA-N 1 3 345.491 2.284 20 30 EEEDHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)CC[N@H+]1C ZINC000329154548 465250649 /nfs/dbraw/zinc/25/06/49/465250649.db2.gz UTNJNIHSPDETJI-WBVHZDCISA-N 1 3 345.491 2.284 20 30 EEEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000297745359 465268305 /nfs/dbraw/zinc/26/83/05/465268305.db2.gz JYMSJDQCHUAFBN-MRXNPFEDSA-N 1 3 348.516 2.139 20 30 EEEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000297745359 465268309 /nfs/dbraw/zinc/26/83/09/465268309.db2.gz JYMSJDQCHUAFBN-MRXNPFEDSA-N 1 3 348.516 2.139 20 30 EEEDHO CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261978856 463915726 /nfs/dbraw/zinc/91/57/26/463915726.db2.gz OINGBXZBMLNLJA-DZGCQCFKSA-N 1 3 348.520 2.180 20 30 EEEDHO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000579704448 468399100 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CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000609133424 469894869 /nfs/dbraw/zinc/89/48/69/469894869.db2.gz BOUKSSRDQOKENI-IBGZPJMESA-N 1 3 345.487 2.350 20 30 EEEDHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000609133424 469894872 /nfs/dbraw/zinc/89/48/72/469894872.db2.gz BOUKSSRDQOKENI-IBGZPJMESA-N 1 3 345.487 2.350 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(C)C ZINC000652130502 471241411 /nfs/dbraw/zinc/24/14/11/471241411.db2.gz PZRREAADXZJPLY-BJLQDIEVSA-N 1 3 348.535 2.455 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CCCC)CC1 ZINC000969156364 674648053 /nfs/dbraw/zinc/64/80/53/674648053.db2.gz RBYPKRJYIBYIFO-IBGZPJMESA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCCC)CC1 ZINC000969156364 674648055 /nfs/dbraw/zinc/64/80/55/674648055.db2.gz RBYPKRJYIBYIFO-IBGZPJMESA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC(C)C)CC1 ZINC000969156625 674648710 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339.483 2.077 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC[C@H](C)F)CC1 ZINC001024811863 681463512 /nfs/dbraw/zinc/46/35/12/681463512.db2.gz CFYWSLCHWSSLFO-FUHWJXTLSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001024811863 681463514 /nfs/dbraw/zinc/46/35/14/681463514.db2.gz CFYWSLCHWSSLFO-FUHWJXTLSA-N 1 3 337.483 2.050 20 30 EEEDHO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992925694 683656505 /nfs/dbraw/zinc/65/65/05/683656505.db2.gz LVSMMWVIYVVQTN-XUVXKRRUSA-N 1 3 339.483 2.212 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1)N(C)C ZINC001029844077 687306964 /nfs/dbraw/zinc/30/69/64/687306964.db2.gz VSILUAKAMPGBBP-PBHICJAKSA-N 1 3 348.516 2.240 20 30 EEEDHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)s2)C1)N(C)C ZINC001029844077 687306970 /nfs/dbraw/zinc/30/69/70/687306970.db2.gz VSILUAKAMPGBBP-PBHICJAKSA-N 1 3 348.516 2.240 20 30 EEEDHO C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262789146 688472661 /nfs/dbraw/zinc/47/26/61/688472661.db2.gz NJRJNBXJGCAUEW-MSOLQXFVSA-N 1 3 336.524 2.063 20 30 EEEDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CN(C)C1CCC1 ZINC000988964722 691331367 /nfs/dbraw/zinc/33/13/67/691331367.db2.gz DVLNOZYQGUENGQ-KBPBESRZSA-N 1 3 346.500 2.183 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000977659806 692889674 /nfs/dbraw/zinc/88/96/74/692889674.db2.gz YETWJJYPAOSMPU-FUHWJXTLSA-N 1 3 333.520 2.204 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC)CC2(C)C)CC1 ZINC000977659806 692889678 /nfs/dbraw/zinc/88/96/78/692889678.db2.gz YETWJJYPAOSMPU-FUHWJXTLSA-N 1 3 333.520 2.204 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001105438467 1187119714 /nfs/dbraw/zinc/11/97/14/1187119714.db2.gz IMLMHDDEDICHPA-QFUCXCTJSA-N 1 3 341.499 2.463 20 30 EEEDHO C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563516 1188179681 /nfs/dbraw/zinc/17/96/81/1188179681.db2.gz ONLNFQGEUGGWPC-MSOLQXFVSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN(CC)CC)CCC1 ZINC001105568607 1188182667 /nfs/dbraw/zinc/18/26/67/1188182667.db2.gz UWVHFFQKJQUCTJ-GOSISDBHSA-N 1 3 333.520 2.493 20 30 EEEDHO C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CCC[NH+](C)C ZINC001486120447 1193687682 /nfs/dbraw/zinc/68/76/82/1193687682.db2.gz AXIQISRSWACGLT-KGLIPLIRSA-N 1 3 334.489 2.041 20 30 EEEDHO C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033990800 1195608488 /nfs/dbraw/zinc/60/84/88/1195608488.db2.gz XUVOZSYVYGLNFP-LJQANCHMSA-N 1 3 327.472 2.308 20 30 EEEDHO C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018157019 1224405260 /nfs/dbraw/zinc/40/52/60/1224405260.db2.gz BLYNHIQXCJIFNS-KDURUIRLSA-N 1 3 331.504 2.360 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001133407674 1200875805 /nfs/dbraw/zinc/87/58/05/1200875805.db2.gz LTAPMZWHCPJRQP-KRWDZBQOSA-N 1 3 347.890 2.233 20 30 EEEDHO C#CCNCCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001133407674 1200875816 /nfs/dbraw/zinc/87/58/16/1200875816.db2.gz LTAPMZWHCPJRQP-KRWDZBQOSA-N 1 3 347.890 2.233 20 30 EEEDHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cc(F)cc(C#N)c1)CC2 ZINC001275414573 1205348021 /nfs/dbraw/zinc/34/80/21/1205348021.db2.gz WWMAJTVRGLRTQP-UHFFFAOYSA-N 1 3 330.451 2.157 20 30 EEEDHO N#Cc1cccc(CN2CCC(N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)c1 ZINC000925701853 1206144959 /nfs/dbraw/zinc/14/49/59/1206144959.db2.gz HDCKWXFAKHTYLU-GBMAXXPESA-N 1 3 336.483 2.109 20 30 EEEDHO N#Cc1ccc(NCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000925893034 1206164545 /nfs/dbraw/zinc/16/45/45/1206164545.db2.gz JVVLXSGFHARTHH-PXNSSMCTSA-N 1 3 349.438 2.211 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067387 1208852422 /nfs/dbraw/zinc/85/24/22/1208852422.db2.gz VNTMHLNKBJXBJE-AEFFLSMTSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948067387 1208852427 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CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1Cl ZINC000305062768 1216138916 /nfs/dbraw/zinc/13/89/16/1216138916.db2.gz KGKACEIZHKKGQL-CZUORRHYSA-N 1 3 338.883 2.416 20 30 EEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000968990839 1221723420 /nfs/dbraw/zinc/72/34/20/1221723420.db2.gz OQQAWKXPHGCAPV-MOPGFXCFSA-N 1 3 333.520 2.493 20 30 EEEDHO CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990839 1221723425 /nfs/dbraw/zinc/72/34/25/1221723425.db2.gz OQQAWKXPHGCAPV-MOPGFXCFSA-N 1 3 333.520 2.493 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007342186 1222182598 /nfs/dbraw/zinc/18/25/98/1222182598.db2.gz FNKPLBIQFSOSII-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007342186 1222182600 /nfs/dbraw/zinc/18/26/00/1222182600.db2.gz FNKPLBIQFSOSII-QZTJIDSGSA-N 1 3 331.504 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001009625939 1223307800 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2.199 20 30 EEEDHO C#CCN1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040430355 1231227819 /nfs/dbraw/zinc/22/78/19/1231227819.db2.gz BGJWPJUJQBQSRY-ICSRJNTNSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045942983 1234202102 /nfs/dbraw/zinc/20/21/02/1234202102.db2.gz DQTOTRMHDGCWAE-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045942983 1234202105 /nfs/dbraw/zinc/20/21/05/1234202105.db2.gz DQTOTRMHDGCWAE-HXUWFJFHSA-N 1 3 331.504 2.199 20 30 EEEDHO C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965744 1234243971 /nfs/dbraw/zinc/24/39/71/1234243971.db2.gz WEPIWVGWDRIOOD-QUCCMNQESA-N 1 3 333.520 2.301 20 30 EEEDHO C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045965744 1234243976 /nfs/dbraw/zinc/24/39/76/1234243976.db2.gz WEPIWVGWDRIOOD-QUCCMNQESA-N 1 3 333.520 2.301 20 30 EEEDHO CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966677 1234246569 /nfs/dbraw/zinc/24/65/69/1234246569.db2.gz CGNYIQGQAMCDDQ-QUCCMNQESA-N 1 3 331.504 2.056 20 30 EEEDHO CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045966677 1234246571 /nfs/dbraw/zinc/24/65/71/1234246571.db2.gz CGNYIQGQAMCDDQ-QUCCMNQESA-N 1 3 331.504 2.056 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(CC)CC)C2)CC1 ZINC001046849191 1235246758 /nfs/dbraw/zinc/24/67/58/1235246758.db2.gz CFGFRVOWORVDBX-FQEVSTJZSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(CC)CC)C2)CC1 ZINC001046849191 1235246760 /nfs/dbraw/zinc/24/67/60/1235246760.db2.gz CFGFRVOWORVDBX-FQEVSTJZSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC2(C3CC[NH+](CCCF)CC3)CC2)CC1 ZINC001000335499 1240181923 /nfs/dbraw/zinc/18/19/23/1240181923.db2.gz RRWQQYINAPCAPA-UHFFFAOYSA-N 1 3 349.494 2.052 20 30 EEEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001073899588 1242762213 /nfs/dbraw/zinc/76/22/13/1242762213.db2.gz XYAXLPAGYONGHS-GOSISDBHSA-N 1 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ZINC001052650979 1247772776 /nfs/dbraw/zinc/77/27/76/1247772776.db2.gz BZTAAMGFWWUTTI-HKUYNNGSSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650979 1247772783 /nfs/dbraw/zinc/77/27/83/1247772783.db2.gz BZTAAMGFWWUTTI-HKUYNNGSSA-N 1 3 331.504 2.387 20 30 EEEDHO C#CCCN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895584 1254761867 /nfs/dbraw/zinc/76/18/67/1254761867.db2.gz AFYXVLOEFLEKIS-QFBILLFUSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099356 1254930130 /nfs/dbraw/zinc/93/01/30/1254930130.db2.gz PSKZFUOCRJRBTB-FUHWJXTLSA-N 1 3 327.472 2.354 20 30 EEEDHO C#CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001072099356 1254930136 /nfs/dbraw/zinc/93/01/36/1254930136.db2.gz PSKZFUOCRJRBTB-FUHWJXTLSA-N 1 3 327.472 2.354 20 30 EEEDHO C=CCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1OC ZINC001198902096 1285402821 /nfs/dbraw/zinc/40/28/21/1285402821.db2.gz DOMYQPBKUGTUSM-WMZOPIPTSA-N 1 3 345.487 2.360 20 30 EEEDHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001201321770 1289480023 /nfs/dbraw/zinc/48/00/23/1289480023.db2.gz VUMOSIYKHMZBMD-UHFFFAOYSA-N 1 3 348.516 2.431 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC3CC3)C2)CC1 ZINC001072095586 1295238050 /nfs/dbraw/zinc/23/80/50/1295238050.db2.gz KWCXXEHJCCDYDO-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)CC1 ZINC001072095586 1295238057 /nfs/dbraw/zinc/23/80/57/1295238057.db2.gz KWCXXEHJCCDYDO-VQIMIIECSA-N 1 3 331.504 2.101 20 30 EEEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001073801627 1297543728 /nfs/dbraw/zinc/54/37/28/1297543728.db2.gz QBOQBEBWAQCKEL-MSOLQXFVSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001073801627 1297543734 /nfs/dbraw/zinc/54/37/34/1297543734.db2.gz QBOQBEBWAQCKEL-MSOLQXFVSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220664176 1298494161 /nfs/dbraw/zinc/49/41/61/1298494161.db2.gz YLLGITZBUGYLIK-DOTOQJQBSA-N 1 3 343.471 2.303 20 30 EEEDHO C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220664176 1298494169 /nfs/dbraw/zinc/49/41/69/1298494169.db2.gz YLLGITZBUGYLIK-DOTOQJQBSA-N 1 3 343.471 2.303 20 30 EEEDHO CC[C@H](C(=O)NCC1CC[NH+](Cc2cccc(C#N)c2)CC1)N(C)C ZINC001223605969 1300191618 /nfs/dbraw/zinc/19/16/18/1300191618.db2.gz ZGOWWRCPYHDUAQ-LJQANCHMSA-N 1 3 342.487 2.227 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001229291438 1302713477 /nfs/dbraw/zinc/71/34/77/1302713477.db2.gz DHPLJLZGDSGJJI-IBGZPJMESA-N 1 3 348.535 2.238 20 30 EEEDHO CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001230242463 1303124684 /nfs/dbraw/zinc/12/46/84/1303124684.db2.gz AOXRHYPXNUXWLM-RTBURBONSA-N 1 3 327.472 2.402 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](F)CC)CC1 ZINC001230252075 1303127930 /nfs/dbraw/zinc/12/79/30/1303127930.db2.gz ZBUCCTABDDDNIV-RCCFBDPRSA-N 1 3 337.483 2.097 20 30 EEEDHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001230279997 1303138179 /nfs/dbraw/zinc/13/81/79/1303138179.db2.gz LWHPRSYZEDAABG-RTBURBONSA-N 1 3 342.487 2.415 20 30 EEEDHO C=CCC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cccnc1 ZINC001230714177 1303409947 /nfs/dbraw/zinc/40/99/47/1303409947.db2.gz XKZLKAQRJMKZMM-GOSISDBHSA-N 1 3 330.476 2.060 20 30 EEEDHO C=CCC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cccnc1 ZINC001230714177 1303409951 /nfs/dbraw/zinc/40/99/51/1303409951.db2.gz XKZLKAQRJMKZMM-GOSISDBHSA-N 1 3 330.476 2.060 20 30 EEEDHO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166411 1304290228 /nfs/dbraw/zinc/29/02/28/1304290228.db2.gz SHRCVSMVAVUDIB-RBSFLKMASA-N 1 3 347.425 2.416 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121595624 1310063603 /nfs/dbraw/zinc/06/36/03/1310063603.db2.gz UIUXWIWHSSVQFF-ULQDDVLXSA-N 1 3 346.523 2.192 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001121595624 1310063607 /nfs/dbraw/zinc/06/36/07/1310063607.db2.gz UIUXWIWHSSVQFF-ULQDDVLXSA-N 1 3 346.523 2.192 20 30 EEEDHO C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855424 1316069053 /nfs/dbraw/zinc/06/90/53/1316069053.db2.gz YTZRJSGDYRTFFW-SJLPKXTDSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001149855424 1316069059 /nfs/dbraw/zinc/06/90/59/1316069059.db2.gz YTZRJSGDYRTFFW-SJLPKXTDSA-N 1 3 337.508 2.033 20 30 EEEDHO C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CN(C)CCCCCC)C1 ZINC001150451912 1316268055 /nfs/dbraw/zinc/26/80/55/1316268055.db2.gz BVVWZNGPYZFYNS-GOSISDBHSA-N 1 3 339.524 2.282 20 30 EEEDHO C=CCC[N@H+]1CCCO[C@H](CNC(=O)CN(C)CCCCCC)C1 ZINC001150451912 1316268059 /nfs/dbraw/zinc/26/80/59/1316268059.db2.gz BVVWZNGPYZFYNS-GOSISDBHSA-N 1 3 339.524 2.282 20 30 EEEDHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428623 1317084270 /nfs/dbraw/zinc/08/42/70/1317084270.db2.gz VOIOKKMSPICQRS-VQTJNVASSA-N 1 3 337.471 2.250 20 30 EEEDHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428623 1317084280 /nfs/dbraw/zinc/08/42/80/1317084280.db2.gz VOIOKKMSPICQRS-VQTJNVASSA-N 1 3 337.471 2.250 20 30 EEEDHO C[NH+]1CCC(CN2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC001249693533 1317154910 /nfs/dbraw/zinc/15/49/10/1317154910.db2.gz NBFGBDYBJJWXNX-UHFFFAOYSA-N 1 3 330.451 2.157 20 30 EEEDHO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001155238113 1317517410 /nfs/dbraw/zinc/51/74/10/1317517410.db2.gz ZKRYHRXIUZZALP-CRAIPNDOSA-N 1 3 325.472 2.049 20 30 EEEDHO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001155238113 1317517416 /nfs/dbraw/zinc/51/74/16/1317517416.db2.gz ZKRYHRXIUZZALP-CRAIPNDOSA-N 1 3 325.472 2.049 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC2CCCC2)CC1 ZINC001157091800 1318395445 /nfs/dbraw/zinc/39/54/45/1318395445.db2.gz CFISGOUKCIRXSJ-QGZVFWFLSA-N 1 3 333.520 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCCC2)CC1 ZINC001157091800 1318395466 /nfs/dbraw/zinc/39/54/66/1318395466.db2.gz CFISGOUKCIRXSJ-QGZVFWFLSA-N 1 3 333.520 2.348 20 30 EEEDHO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157109520 1318410865 /nfs/dbraw/zinc/41/08/65/1318410865.db2.gz PYOAKYDNILFYPR-MRXNPFEDSA-N 1 3 330.476 2.225 20 30 EEEDHO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157109520 1318410870 /nfs/dbraw/zinc/41/08/70/1318410870.db2.gz PYOAKYDNILFYPR-MRXNPFEDSA-N 1 3 330.476 2.225 20 30 EEEDHO CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001158206076 1319075977 /nfs/dbraw/zinc/07/59/77/1319075977.db2.gz ZWVZXDINGCKWOV-KGLIPLIRSA-N 1 3 345.447 2.004 20 30 EEEDHO C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)(COC)CC1 ZINC001162320037 1320820081 /nfs/dbraw/zinc/82/00/81/1320820081.db2.gz GGPKMNWUHQCALJ-QGZVFWFLSA-N 1 3 339.524 2.138 20 30 EEEDHO C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001162928539 1320990425 /nfs/dbraw/zinc/99/04/25/1320990425.db2.gz JZQHTRUREPTOKZ-SFHVURJKSA-N 1 3 329.488 2.175 20 30 EEEDHO C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208050074 1324289204 /nfs/dbraw/zinc/28/92/04/1324289204.db2.gz URQAOSJCELQNCT-QGZVFWFLSA-N 1 3 337.508 2.034 20 30 EEEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cc(C#N)ccn3)C2)C1 ZINC001276687259 1325350215 /nfs/dbraw/zinc/35/02/15/1325350215.db2.gz ATKHHKYFIUKURQ-FQEVSTJZSA-N 1 3 341.503 2.193 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001338852540 1336920024 /nfs/dbraw/zinc/92/00/24/1336920024.db2.gz YAOXBBDKJBTNRF-INIZCTEOSA-N 1 3 346.523 2.194 20 30 EEEDHO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001338852540 1336920029 /nfs/dbraw/zinc/92/00/29/1336920029.db2.gz YAOXBBDKJBTNRF-INIZCTEOSA-N 1 3 346.523 2.194 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCC3)C2)CC1 ZINC001072096209 1370606151 /nfs/dbraw/zinc/60/61/51/1370606151.db2.gz VLGOWORLMKQSKH-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)CC1 ZINC001072096209 1370606155 /nfs/dbraw/zinc/60/61/55/1370606155.db2.gz VLGOWORLMKQSKH-QFBILLFUSA-N 1 3 331.504 2.101 20 30 EEEDHO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000781421646 1371228390 /nfs/dbraw/zinc/22/83/90/1371228390.db2.gz RWYNRTWTMKHTQK-XUVXKRRUSA-N 1 3 339.483 2.016 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112396948 1371430919 /nfs/dbraw/zinc/43/09/19/1371430919.db2.gz LWSZTTMWOPWDIN-RDJZCZTQSA-N 1 3 339.911 2.442 20 30 EEEDHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001375496224 1377787713 /nfs/dbraw/zinc/78/77/13/1377787713.db2.gz CBAQGSKNESBTSW-VBQJREDUSA-N 1 3 348.516 2.190 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394040 1379201451 /nfs/dbraw/zinc/20/14/51/1379201451.db2.gz YCRUYBHRPCEGFH-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001377394040 1379201455 /nfs/dbraw/zinc/20/14/55/1379201455.db2.gz YCRUYBHRPCEGFH-APWZRJJASA-N 1 3 342.487 2.369 20 30 EEEDHO C[C@@H](CCNCc1ccccc1C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001754004833 1406797144 /nfs/dbraw/zinc/79/71/44/1406797144.db2.gz JZJUHIYTNVICOA-INIZCTEOSA-N 1 3 342.487 2.275 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001075397622 757999128 /nfs/dbraw/zinc/99/91/28/757999128.db2.gz PKAQIRRVINMHMZ-RTBURBONSA-N 1 3 349.519 2.034 20 30 EEEDHO C=C(C)C[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001075397620 757999401 /nfs/dbraw/zinc/99/94/01/757999401.db2.gz PKAQIRRVINMHMZ-OALUTQOASA-N 1 3 349.519 2.034 20 30 EEEDHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001167628246 760774210 /nfs/dbraw/zinc/77/42/10/760774210.db2.gz XZRMHUGGTWRUQS-LJQANCHMSA-N 1 3 342.487 2.417 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1CCC)C[C@H](C)O2 ZINC001098603030 764968277 /nfs/dbraw/zinc/96/82/77/764968277.db2.gz JDELEZLLPDOXAH-ROUUACIJSA-N 1 3 349.519 2.129 20 30 EEEDHO C=CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C[C@H](C)O2 ZINC001098603030 764968283 /nfs/dbraw/zinc/96/82/83/764968283.db2.gz JDELEZLLPDOXAH-ROUUACIJSA-N 1 3 349.519 2.129 20 30 EEEDHO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089510720 770026181 /nfs/dbraw/zinc/02/61/81/770026181.db2.gz DPKYMEMHROBIPC-ROUUACIJSA-N 1 3 333.520 2.489 20 30 EEEDHO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)CC(C)(C)C1 ZINC001089510720 770026193 /nfs/dbraw/zinc/02/61/93/770026193.db2.gz DPKYMEMHROBIPC-ROUUACIJSA-N 1 3 333.520 2.489 20 30 EEEDHO CC#CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718974 783049579 /nfs/dbraw/zinc/04/95/79/783049579.db2.gz FAFUXWWZMWPQRW-YLJYHZDGSA-N 1 3 341.499 2.254 20 30 EEEDHO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088212368 783063062 /nfs/dbraw/zinc/06/30/62/783063062.db2.gz GVVSCXBBSQOSQO-AEFFLSMTSA-N 1 3 327.472 2.328 20 30 EEEDHO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088212368 783063065 /nfs/dbraw/zinc/06/30/65/783063065.db2.gz GVVSCXBBSQOSQO-AEFFLSMTSA-N 1 3 327.472 2.328 20 30 EEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000997726320 790885185 /nfs/dbraw/zinc/88/51/85/790885185.db2.gz QMRXNSYKCSUNPC-HKUYNNGSSA-N 1 3 333.520 2.348 20 30 EEEDHO CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997726320 790885189 /nfs/dbraw/zinc/88/51/89/790885189.db2.gz QMRXNSYKCSUNPC-HKUYNNGSSA-N 1 3 333.520 2.348 20 30 EEEDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001135975659 784923686 /nfs/dbraw/zinc/92/36/86/784923686.db2.gz ADZPAARTEOJPJY-HOTGVXAUSA-N 1 3 330.476 2.273 20 30 EEEDHO CC[C@H](C#N)Oc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OC ZINC000817917798 785068237 /nfs/dbraw/zinc/06/82/37/785068237.db2.gz HXPOIHVDBKXUID-MWQQHZPXSA-N 1 3 347.459 2.218 20 30 EEEDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001203456156 788008480 /nfs/dbraw/zinc/00/84/80/788008480.db2.gz QFSHSFVNFGCMJT-UHFFFAOYSA-N 1 3 334.489 2.042 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000997086741 788746092 /nfs/dbraw/zinc/74/60/92/788746092.db2.gz VEUGRXWVHQONHV-MJGOQNOKSA-N 1 3 345.531 2.491 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000997086741 788746093 /nfs/dbraw/zinc/74/60/93/788746093.db2.gz VEUGRXWVHQONHV-MJGOQNOKSA-N 1 3 345.531 2.491 20 30 EEEDHO CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998009346 791825933 /nfs/dbraw/zinc/82/59/33/791825933.db2.gz WNIAFQVDLVHSRI-RBUKOAKNSA-N 1 3 331.504 2.055 20 30 EEEDHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001147823915 791981861 /nfs/dbraw/zinc/98/18/61/791981861.db2.gz GPUBPNJOPGLMMS-NVXWUHKLSA-N 1 3 346.450 2.024 20 30 EEEDHO C=C(C)C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC000998270841 792412654 /nfs/dbraw/zinc/41/26/54/792412654.db2.gz VOSCMBXPRRGACW-KBPBESRZSA-N 1 3 347.425 2.416 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC000998270847 792412999 /nfs/dbraw/zinc/41/29/99/792412999.db2.gz VOSCMBXPRRGACW-ZIAGYGMSSA-N 1 3 347.425 2.416 20 30 EEEDHO CC#CCN1CCC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001040480979 792541511 /nfs/dbraw/zinc/54/15/11/792541511.db2.gz XRXOOTKGKIPHGN-NRFANRHFSA-N 1 3 345.531 2.445 20 30 EEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001086952444 793085770 /nfs/dbraw/zinc/08/57/70/793085770.db2.gz IRKQFXAOVMJXNU-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952444 793085783 /nfs/dbraw/zinc/08/57/83/793085783.db2.gz IRKQFXAOVMJXNU-ZWKOTPCHSA-N 1 3 331.504 2.055 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC000999348381 794341566 /nfs/dbraw/zinc/34/15/66/794341566.db2.gz OCPYXDRSLQOIBE-SFHVURJKSA-N 1 3 340.471 2.123 20 30 EEEDHO 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331.504 2.055 20 30 EEEDHO C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396905 781963240 /nfs/dbraw/zinc/96/32/40/781963240.db2.gz YPRQFWYBUPKUTF-LJQANCHMSA-N 1 3 331.504 2.055 20 30 EEEDHO CC(C#N)C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000342369288 465315340 /nfs/dbraw/zinc/31/53/40/465315340.db2.gz GPJALNOQWUKYPW-ZACQAIPSSA-N 1 3 343.471 2.472 20 30 EEEDHO CC(C#N)C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000342369288 465315345 /nfs/dbraw/zinc/31/53/45/465315345.db2.gz GPJALNOQWUKYPW-ZACQAIPSSA-N 1 3 343.471 2.472 20 30 EEEDHO CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@H](N2CCCCC2)C1 ZINC000086740989 462580535 /nfs/dbraw/zinc/58/05/35/462580535.db2.gz GXGIOQWYDQFNPN-QFBILLFUSA-N 1 3 348.491 2.013 20 30 EEEDHO C[C@@H](CNC(=O)C(C#N)Cc1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000279486389 464110518 /nfs/dbraw/zinc/11/05/18/464110518.db2.gz IUKSUHMUKKAICR-QFBILLFUSA-N 1 3 338.455 2.479 20 30 EEEDHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000293112916 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C=CCN1CCC(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000417535550 466879416 /nfs/dbraw/zinc/87/94/16/466879416.db2.gz WTNIOQORUYEMMW-WMZOPIPTSA-N 1 3 334.508 2.201 20 30 EEEDHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424147772 466990522 /nfs/dbraw/zinc/99/05/22/466990522.db2.gz SEROXRMZAVPQEB-BPQIPLTHSA-N 1 3 328.460 2.034 20 30 EEEDHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424147772 466990525 /nfs/dbraw/zinc/99/05/25/466990525.db2.gz SEROXRMZAVPQEB-BPQIPLTHSA-N 1 3 328.460 2.034 20 30 EEEDHO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000442818381 467577831 /nfs/dbraw/zinc/57/78/31/467577831.db2.gz NVPPQBQWLHNZIA-HKUYNNGSSA-N 1 3 340.471 2.294 20 30 EEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000530486764 467988341 /nfs/dbraw/zinc/98/83/41/467988341.db2.gz SJPGYCOAOKKZRY-UHFFFAOYSA-N 1 3 330.476 2.053 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000490712033 468239388 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CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023130550 679137640 /nfs/dbraw/zinc/13/76/40/679137640.db2.gz UDOCMYNRBFHKKW-CEXWTWQISA-N 1 3 340.471 2.169 20 30 EEEDHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC000984800136 685275331 /nfs/dbraw/zinc/27/53/31/685275331.db2.gz OMTBDDPDSSOVAW-GPMSIDNRSA-N 1 3 340.471 2.027 20 30 EEEDHO C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025273406 682379512 /nfs/dbraw/zinc/37/95/12/682379512.db2.gz DYUPRGZHADYHDD-OALUTQOASA-N 1 3 331.504 2.197 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C(C)(C)C1 ZINC000974665707 685191875 /nfs/dbraw/zinc/19/18/75/685191875.db2.gz SKDASQZJIHHAFW-ZWKOTPCHSA-N 1 3 349.519 2.033 20 30 EEEDHO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCOCC2)C(C)(C)C1 ZINC000974665707 685191880 /nfs/dbraw/zinc/19/18/80/685191880.db2.gz SKDASQZJIHHAFW-ZWKOTPCHSA-N 1 3 349.519 2.033 20 30 EEEDHO C=C(Br)CNC1(CNC(=O)CC[N@@H+](C)CC)CCCC1 ZINC001482234080 1184427672 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20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181800777 800908685 /nfs/dbraw/zinc/90/86/85/800908685.db2.gz BEVKVIKPLQDZFE-UKPHBRMFSA-N 1 3 329.916 2.399 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086400156 802896767 /nfs/dbraw/zinc/89/67/67/802896767.db2.gz XNYYJKHZHMEDEY-SHTZXODSSA-N 1 3 325.884 2.099 20 30 EEEDHO COc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N ZINC000174325642 533658698 /nfs/dbraw/zinc/65/86/98/533658698.db2.gz ZSKLOIHBKANCHA-UHFFFAOYSA-N 1 3 342.487 2.215 20 30 EEEDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000550157215 318447568 /nfs/dbraw/zinc/44/75/68/318447568.db2.gz VISIEXLJAKFQPY-HZPDHXFCSA-N 1 3 340.475 2.449 20 30 EEEDHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000328606567 465068444 /nfs/dbraw/zinc/06/84/44/465068444.db2.gz KMXWEECRDZHTAX-SFHVURJKSA-N 1 3 337.508 2.443 20 30 EEEDHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119839813 462932824 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COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000281791972 464588299 /nfs/dbraw/zinc/58/82/99/464588299.db2.gz UPLCCGCJFWDXAR-QZTJIDSGSA-N 1 3 329.444 2.034 20 30 EEEDHO COCCNC(=[NH2+])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000267436272 464931751 /nfs/dbraw/zinc/93/17/51/464931751.db2.gz NYNFJHFAXKZMEE-UHFFFAOYSA-N 1 3 338.883 2.103 20 30 EEEDHO C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000299062165 465582570 /nfs/dbraw/zinc/58/25/70/465582570.db2.gz RVIHBGGTXYLCQA-UHFFFAOYSA-N 1 3 339.483 2.066 20 30 EEEDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCC1(C#N)CCOCC1 ZINC000368531340 466661433 /nfs/dbraw/zinc/66/14/33/466661433.db2.gz UTIPAKFZDDHHNX-KURKYZTESA-N 1 3 335.492 2.270 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000422163373 466668486 /nfs/dbraw/zinc/66/84/86/466668486.db2.gz FPWGHRGWWHZNCZ-ROUUACIJSA-N 1 3 336.524 2.421 20 30 EEEDHO C=CCN(CC=C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000422163373 466668492 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20 30 EEEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369139 679276221 /nfs/dbraw/zinc/27/62/21/679276221.db2.gz AMCQMWWSAQSJTH-ROUUACIJSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369139 679276222 /nfs/dbraw/zinc/27/62/22/679276222.db2.gz AMCQMWWSAQSJTH-ROUUACIJSA-N 1 3 331.504 2.102 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC001025627625 683153614 /nfs/dbraw/zinc/15/36/14/683153614.db2.gz AJQBPNDPGFWFEA-PXNSSMCTSA-N 1 3 345.531 2.348 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001025627625 683153619 /nfs/dbraw/zinc/15/36/19/683153619.db2.gz AJQBPNDPGFWFEA-PXNSSMCTSA-N 1 3 345.531 2.348 20 30 EEEDHO C=CCN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]CC)CC1 ZINC000262370460 685680983 /nfs/dbraw/zinc/68/09/83/685680983.db2.gz INFUJAHOIWBJAI-GVDBMIGSSA-N 1 3 334.508 2.005 20 30 EEEDHO C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989391386 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20 30 EEEDHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cncc(C#N)c3)C2)C1 ZINC001275027826 1205236820 /nfs/dbraw/zinc/23/68/20/1205236820.db2.gz REPDRILUGXPWBF-FQEVSTJZSA-N 1 3 341.503 2.193 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1 ZINC000303768703 1213903356 /nfs/dbraw/zinc/90/33/56/1213903356.db2.gz ANWJFFFVOIWRBV-CQSZACIVSA-N 1 3 339.281 2.338 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000304806855 1216106912 /nfs/dbraw/zinc/10/69/12/1216106912.db2.gz SOUUCKCCNRANDH-UKRRQHHQSA-N 1 3 338.883 2.496 20 30 EEEDHO C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961226621 1217097663 /nfs/dbraw/zinc/09/76/63/1217097663.db2.gz BXTLPGCCWGFIDT-RTBURBONSA-N 1 3 345.531 2.302 20 30 EEEDHO C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961226621 1217097666 /nfs/dbraw/zinc/09/76/66/1217097666.db2.gz BXTLPGCCWGFIDT-RTBURBONSA-N 1 3 345.531 2.302 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961375757 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C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)CC1 ZINC001086882175 792892692 /nfs/dbraw/zinc/89/26/92/792892692.db2.gz DWAZPIQTJJLNQI-PKOBYXMFSA-N 1 3 331.504 2.006 20 30 EEEDHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC000999345969 794335762 /nfs/dbraw/zinc/33/57/62/794335762.db2.gz CAXSHNMAOWGRFS-SFHVURJKSA-N 1 3 340.471 2.123 20 30 EEEDHO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379992 795118574 /nfs/dbraw/zinc/11/85/74/795118574.db2.gz NZTUMDWHHIWBDP-GOSISDBHSA-N 1 3 328.460 2.231 20 30 EEEDHO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379992 795118578 /nfs/dbraw/zinc/11/85/78/795118578.db2.gz NZTUMDWHHIWBDP-GOSISDBHSA-N 1 3 328.460 2.231 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC/C=C\CC)CC1 ZINC001110147214 795387884 /nfs/dbraw/zinc/38/78/84/795387884.db2.gz PWEOJYXLRPQNSA-ZOYAEOFMSA-N 1 3 343.515 2.409 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC/C=C\CC)CC1 ZINC001110147214 795387886 /nfs/dbraw/zinc/38/78/86/795387886.db2.gz PWEOJYXLRPQNSA-ZOYAEOFMSA-N 1 3 343.515 2.409 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC=C)CC1 ZINC001110152289 795871297 /nfs/dbraw/zinc/87/12/97/795871297.db2.gz MZBDZRXXLMPKMX-QYZOEREBSA-N 1 3 329.488 2.019 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC=C)CC1 ZINC001110152289 795871305 /nfs/dbraw/zinc/87/13/05/795871305.db2.gz MZBDZRXXLMPKMX-QYZOEREBSA-N 1 3 329.488 2.019 20 30 EEEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318206 795881631 /nfs/dbraw/zinc/88/16/31/795881631.db2.gz KDUSPUPGJJPXSG-BHIYHBOVSA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318206 795881637 /nfs/dbraw/zinc/88/16/37/795881637.db2.gz KDUSPUPGJJPXSG-BHIYHBOVSA-N 1 3 331.504 2.243 20 30 EEEDHO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001080441361 796014708 /nfs/dbraw/zinc/01/47/08/796014708.db2.gz KABOCBVORRSYBH-RKVPGOIHSA-N 1 3 325.472 2.212 20 30 EEEDHO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001080441361 796014716 /nfs/dbraw/zinc/01/47/16/796014716.db2.gz KABOCBVORRSYBH-RKVPGOIHSA-N 1 3 325.472 2.212 20 30 EEEDHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106779789 796517669 /nfs/dbraw/zinc/51/76/69/796517669.db2.gz WICBZHPGPZMBGF-UYAOXDASSA-N 1 3 341.499 2.064 20 30 EEEDHO CC#CCN1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943714 797361604 /nfs/dbraw/zinc/36/16/04/797361604.db2.gz XDJOCWDXTYZHMN-UHFFFAOYSA-N 1 3 327.472 2.213 20 30 EEEDHO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262733 798059866 /nfs/dbraw/zinc/05/98/66/798059866.db2.gz LCTXVIFMIPSBNA-APWZRJJASA-N 1 3 339.499 2.487 20 30 EEEDHO C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)C1(N(C)C)CCC1 ZINC001177339733 798874028 /nfs/dbraw/zinc/87/40/28/798874028.db2.gz MZOCEAVNYJRTRB-UHFFFAOYSA-N 1 3 333.520 2.493 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181755390 800894297 /nfs/dbraw/zinc/89/42/97/800894297.db2.gz PEQFVULKACNQNL-SRCQZFHVSA-N 1 3 327.900 2.153 20 30 EEEDHO CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001437323964 1089488044 /nfs/dbraw/zinc/48/80/44/1089488044.db2.gz DXTAURZSMRETAI-OALUTQOASA-N 1 3 342.487 2.417 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001437323964 1089488054 /nfs/dbraw/zinc/48/80/54/1089488054.db2.gz DXTAURZSMRETAI-OALUTQOASA-N 1 3 342.487 2.417 20 30 EEEDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC001507293178 1115177454 /nfs/dbraw/zinc/17/74/54/1115177454.db2.gz PHKGVYKMFULASP-KDOFPFPSSA-N 1 3 346.450 2.118 20 30 EEEDHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442767270 242110206 /nfs/dbraw/zinc/11/02/06/242110206.db2.gz MJWMXKLUBYWLTP-FUHWJXTLSA-N 1 3 331.460 2.425 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000491808542 533100468 /nfs/dbraw/zinc/10/04/68/533100468.db2.gz WFDGCRNGZWWLKD-RBUKOAKNSA-N 1 3 348.535 2.238 20 30 EEEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000491808542 533100469 /nfs/dbraw/zinc/10/04/69/533100469.db2.gz WFDGCRNGZWWLKD-RBUKOAKNSA-N 1 3 348.535 2.238 20 30 EEEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000424164037 303151579 /nfs/dbraw/zinc/15/15/79/303151579.db2.gz WGAFKTPVULUHKU-FHWLQOOXSA-N 1 3 342.487 2.206 20 30 EEEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCC[NH+](C)C ZINC000576437212 320171446 /nfs/dbraw/zinc/17/14/46/320171446.db2.gz NCTWNNNFJIXASX-UHFFFAOYSA-N 1 3 330.476 2.180 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C)CC1 ZINC000112919758 462554932 /nfs/dbraw/zinc/55/49/32/462554932.db2.gz GAIPUXCSZKZKRR-LJQANCHMSA-N 1 3 331.504 2.146 20 30 EEEDHO CN(C)C(=[NH+]CCCCN1CCN(c2ccccc2)CC1)N(C)C ZINC000264071932 464280183 /nfs/dbraw/zinc/28/01/83/464280183.db2.gz DNYKMLYZXINILL-UHFFFAOYSA-N 1 3 331.508 2.068 20 30 EEEDHO C[C@H]1CN(Cc2ccc(CC#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343756529 465549703 /nfs/dbraw/zinc/54/97/03/465549703.db2.gz YYYPXPWBQJLVGE-FXAWDEMLSA-N 1 3 326.488 2.210 20 30 EEEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000349065112 465946748 /nfs/dbraw/zinc/94/67/48/465946748.db2.gz XNCBQQHRYNDUHC-LJQANCHMSA-N 1 3 344.503 2.415 20 30 EEEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000349065112 465946750 /nfs/dbraw/zinc/94/67/50/465946750.db2.gz XNCBQQHRYNDUHC-LJQANCHMSA-N 1 3 344.503 2.415 20 30 EEEDHO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)C#N)cc1OC ZINC000347080267 466377230 /nfs/dbraw/zinc/37/72/30/466377230.db2.gz WOBOQZLXSZKZHW-AWEZNQCLSA-N 1 3 333.432 2.192 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000454461301 467594175 /nfs/dbraw/zinc/59/41/75/467594175.db2.gz JEXNMCSKJSVWHR-UHFFFAOYSA-N 1 3 334.508 2.343 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171704144 526432233 /nfs/dbraw/zinc/43/22/33/526432233.db2.gz HWLKHOUOCUZTSB-UHFFFAOYSA-N 1 3 344.503 2.458 20 30 EEEDHO C=CCN1CCC(NC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000171704144 526432237 /nfs/dbraw/zinc/43/22/37/526432237.db2.gz HWLKHOUOCUZTSB-UHFFFAOYSA-N 1 3 344.503 2.458 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614136 675264456 /nfs/dbraw/zinc/26/44/56/675264456.db2.gz KSXGOGDZAJIIDK-TVFCKZIOSA-N 1 3 347.890 2.321 20 30 EEEDHO C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614136 675264457 /nfs/dbraw/zinc/26/44/57/675264457.db2.gz KSXGOGDZAJIIDK-TVFCKZIOSA-N 1 3 347.890 2.321 20 30 EEEDHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001021711620 676369669 /nfs/dbraw/zinc/36/96/69/676369669.db2.gz YYRHQNIYKQQJMH-UXHICEINSA-N 1 3 343.515 2.055 20 30 EEEDHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972331155 678553503 /nfs/dbraw/zinc/55/35/03/678553503.db2.gz INPZMKWLNVBPAG-LPHOPBHVSA-N 1 3 340.471 2.075 20 30 EEEDHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000972331155 678553505 /nfs/dbraw/zinc/55/35/05/678553505.db2.gz INPZMKWLNVBPAG-LPHOPBHVSA-N 1 3 340.471 2.075 20 30 EEEDHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262335246 685404682 /nfs/dbraw/zinc/40/46/82/685404682.db2.gz BRFOHGJJIZFFBI-XDNAFOTISA-N 1 3 348.535 2.326 20 30 EEEDHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025557146 682995089 /nfs/dbraw/zinc/99/50/89/682995089.db2.gz FCLYREGYCCKEPT-QFBILLFUSA-N 1 3 327.472 2.212 20 30 EEEDHO CCN(CC)[C@@H]1CCN(C(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)C1 ZINC000262383367 685715289 /nfs/dbraw/zinc/71/52/89/685715289.db2.gz KUIWBTCMCMYQNY-YYIAUSFCSA-N 1 3 336.524 2.182 20 30 EEEDHO CC[C@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)Oc1cccc(F)c1 ZINC000304850394 687023902 /nfs/dbraw/zinc/02/39/02/687023902.db2.gz QTCNSVZULITZRF-HZPDHXFCSA-N 1 3 336.455 2.372 20 30 EEEDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CN1C(=O)CN(C)C1CCC1 ZINC000988964729 691330960 /nfs/dbraw/zinc/33/09/60/691330960.db2.gz DVLNOZYQGUENGQ-ZIAGYGMSSA-N 1 3 346.500 2.183 20 30 EEEDHO C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)CN(C)C(C)C)CCO2 ZINC001105486901 1188103516 /nfs/dbraw/zinc/10/35/16/1188103516.db2.gz DYXFQGPIGNHPSK-UHFFFAOYSA-N 1 3 337.508 2.033 20 30 EEEDHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)C1(N(C)C)CCC1 ZINC001134584517 1199673532 /nfs/dbraw/zinc/67/35/32/1199673532.db2.gz UVEXKRXDYYITCT-ZIAGYGMSSA-N 1 3 348.516 2.477 20 30 EEEDHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC001275290254 1205299466 /nfs/dbraw/zinc/29/94/66/1205299466.db2.gz BZXRCEZFNPBFBH-FQEVSTJZSA-N 1 3 326.488 2.408 20 30 EEEDHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC001275290254 1205299468 /nfs/dbraw/zinc/29/94/68/1205299468.db2.gz BZXRCEZFNPBFBH-FQEVSTJZSA-N 1 3 326.488 2.408 20 30 EEEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)NCC1CCC1 ZINC000303910421 1213923760 /nfs/dbraw/zinc/92/37/60/1213923760.db2.gz YWHNQDMNZLGGEV-UHFFFAOYSA-N 1 3 343.519 2.293 20 30 EEEDHO 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/nfs/dbraw/zinc/77/66/12/793776612.db2.gz XEOGDCHPYUTFIZ-NQIIRXRSSA-N 1 3 339.483 2.165 20 30 EEEDHO CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300481 793776617 /nfs/dbraw/zinc/77/66/17/793776617.db2.gz XEOGDCHPYUTFIZ-NQIIRXRSSA-N 1 3 339.483 2.165 20 30 EEEDHO C=C(Cl)CN[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742513 797675398 /nfs/dbraw/zinc/67/53/98/797675398.db2.gz IIKLLWBATQXPQN-MRRJBJDNSA-N 1 3 345.890 2.388 20 30 EEEDHO C=C(Cl)CN[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742513 797675402 /nfs/dbraw/zinc/67/54/02/797675402.db2.gz IIKLLWBATQXPQN-MRRJBJDNSA-N 1 3 345.890 2.388 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C[C@@H]21 ZINC001085014169 798611046 /nfs/dbraw/zinc/61/10/46/798611046.db2.gz IXZQKZNCGBUGJS-QRVBRYPASA-N 1 3 331.504 2.055 20 30 EEEDHO CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014169 798611047 /nfs/dbraw/zinc/61/10/47/798611047.db2.gz IXZQKZNCGBUGJS-QRVBRYPASA-N 1 3 331.504 2.055 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181727698 800882006 /nfs/dbraw/zinc/88/20/06/800882006.db2.gz CAPLUPFNRDAQQI-CZUORRHYSA-N 1 3 327.900 2.297 20 30 EEEDHO C#CCN1CCC(C(=O)NC2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001004202304 801255053 /nfs/dbraw/zinc/25/50/53/801255053.db2.gz YTXUMUVGHHRNJY-UHFFFAOYSA-N 1 3 345.531 2.493 20 30 EEEDHO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642392 802550686 /nfs/dbraw/zinc/55/06/86/802550686.db2.gz HWZIXDMUEVIKGW-OWCLPIDISA-N 1 3 327.900 2.250 20 30 EEEDHO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642392 802550693 /nfs/dbraw/zinc/55/06/93/802550693.db2.gz HWZIXDMUEVIKGW-OWCLPIDISA-N 1 3 327.900 2.250 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399457 805410371 /nfs/dbraw/zinc/41/03/71/805410371.db2.gz KPXLMMWDKXDYPI-YRXWBPOGSA-N 1 3 349.519 2.173 20 30 EEEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109399457 805410373 /nfs/dbraw/zinc/41/03/73/805410373.db2.gz KPXLMMWDKXDYPI-YRXWBPOGSA-N 1 3 349.519 2.173 20 30 EEEDHO C=C(C)CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130430537 811629744 /nfs/dbraw/zinc/62/97/44/811629744.db2.gz CBABBBMLTKVXOL-INIZCTEOSA-N 1 3 347.507 2.123 20 30 EEEDHO C=C(C)CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CN(CC)CC)C1 ZINC001130430537 811629749 /nfs/dbraw/zinc/62/97/49/811629749.db2.gz CBABBBMLTKVXOL-INIZCTEOSA-N 1 3 347.507 2.123 20 30 EEEDHO CCCN(CCC[NH+](C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281195091 270016734 /nfs/dbraw/zinc/01/67/34/270016734.db2.gz LTUFUDZIQRUHGW-GOSISDBHSA-N 1 3 326.444 2.431 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000170905731 463738352 /nfs/dbraw/zinc/73/83/52/463738352.db2.gz NSEKWGCEUHLAAF-SFHVURJKSA-N 1 3 329.492 2.175 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncc(-c2ccccc2)cn1 ZINC000185591520 463847194 /nfs/dbraw/zinc/84/71/94/463847194.db2.gz LDBLOICCRXBNAR-KRWDZBQOSA-N 1 3 338.459 2.032 20 30 EEEDHO [NH2+]=C(NC[C@@H](O)CN1CCCCC1)Nc1cccc2c1CCCC2 ZINC000178421705 463897575 /nfs/dbraw/zinc/89/75/75/463897575.db2.gz UWMUVPMARRZTTB-MRXNPFEDSA-N 1 3 330.476 2.139 20 30 EEEDHO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262487093 464030607 /nfs/dbraw/zinc/03/06/07/464030607.db2.gz STSHCSDDJYRGMB-SJORKVTESA-N 1 3 347.507 2.018 20 30 EEEDHO CCN1CCN(CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288765980 464058223 /nfs/dbraw/zinc/05/82/23/464058223.db2.gz TWCLESPUSQIIGV-UHFFFAOYSA-N 1 3 339.434 2.109 20 30 EEEDHO COc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)N2CCCC2)cc1OC ZINC000264104166 464283603 /nfs/dbraw/zinc/28/36/03/464283603.db2.gz NHGMTKBOVIWJAK-MRXNPFEDSA-N 1 3 348.491 2.229 20 30 EEEDHO CC[C@H](C)NC(=[NH2+])NCCCCN1CCN(c2ccccc2)CC1 ZINC000264105562 464283765 /nfs/dbraw/zinc/28/37/65/464283765.db2.gz PJTCECYRKSUEEI-KRWDZBQOSA-N 1 3 331.508 2.292 20 30 EEEDHO CC[C@H](C)NC(=[NH2+])NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000264130725 464286781 /nfs/dbraw/zinc/28/67/81/464286781.db2.gz XZETZDQTRQEMKE-SFHVURJKSA-N 1 3 345.535 2.287 20 30 EEEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)nc1 ZINC000272210529 464519798 /nfs/dbraw/zinc/51/97/98/464519798.db2.gz NZAKPGWIHWYOEA-HNNXBMFYSA-N 1 3 333.480 2.148 20 30 EEEDHO [NH2+]=C(NCc1ccccc1CN1CC[C@@H](O)C1)NC1CCCCCC1 ZINC000272734629 464686405 /nfs/dbraw/zinc/68/64/05/464686405.db2.gz BCLIPLKYPMRGDS-LJQANCHMSA-N 1 3 344.503 2.380 20 30 EEEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2c(cccc2C)o1 ZINC000267464643 464933732 /nfs/dbraw/zinc/93/37/32/464933732.db2.gz WCGZMLVASSDVOU-CQSZACIVSA-N 1 3 329.448 2.067 20 30 EEEDHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000423380211 466732969 /nfs/dbraw/zinc/73/29/69/466732969.db2.gz HCGGSUZKQXLOAZ-DOMZBBRYSA-N 1 3 326.366 2.045 20 30 EEEDHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000423388477 466735697 /nfs/dbraw/zinc/73/56/97/466735697.db2.gz MTJYXPFQLRJJFZ-SWLSCSKDSA-N 1 3 326.366 2.045 20 30 EEEDHO C=C(C)CN1CCC(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000417541428 466879938 /nfs/dbraw/zinc/87/99/38/466879938.db2.gz RHKYSKKMPLVKPA-SFHVURJKSA-N 1 3 348.535 2.447 20 30 EEEDHO C=CCc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000414784518 467436077 /nfs/dbraw/zinc/43/60/77/467436077.db2.gz IKGXBRIBRWQFMX-XLIONFOSSA-N 1 3 346.471 2.458 20 30 EEEDHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597859901 468696394 /nfs/dbraw/zinc/69/63/94/468696394.db2.gz HTPMHVSUDBMRJB-ZWKOTPCHSA-N 1 3 338.455 2.477 20 30 EEEDHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000597859901 468696398 /nfs/dbraw/zinc/69/63/98/468696398.db2.gz HTPMHVSUDBMRJB-ZWKOTPCHSA-N 1 3 338.455 2.477 20 30 EEEDHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CC#N)CC3)CC2)CC1 ZINC000584730366 468924746 /nfs/dbraw/zinc/92/47/46/468924746.db2.gz QLXWJZPVPLFRPE-UHFFFAOYSA-N 1 3 346.519 2.335 20 30 EEEDHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511856 468990947 /nfs/dbraw/zinc/99/09/47/468990947.db2.gz QKPWZMDGMDITLL-IBGZPJMESA-N 1 3 345.487 2.299 20 30 EEEDHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610511856 468990950 /nfs/dbraw/zinc/99/09/50/468990950.db2.gz QKPWZMDGMDITLL-IBGZPJMESA-N 1 3 345.487 2.299 20 30 EEEDHO C#CCN1CCC(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000153093696 526922542 /nfs/dbraw/zinc/92/25/42/526922542.db2.gz PTAHXWTZVWMSEK-UHFFFAOYSA-N 1 3 341.499 2.358 20 30 EEEDHO C#CCN1CCC(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000153093696 526922550 /nfs/dbraw/zinc/92/25/50/526922550.db2.gz PTAHXWTZVWMSEK-UHFFFAOYSA-N 1 3 341.499 2.358 20 30 EEEDHO CC#CCN1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646041 679447290 /nfs/dbraw/zinc/44/72/90/679447290.db2.gz HGHLRMILNXFWKT-GOSISDBHSA-N 1 3 327.472 2.213 20 30 EEEDHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001023762028 679568779 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20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)C3)CC2(C)C)CC1 ZINC000977650695 692879445 /nfs/dbraw/zinc/87/94/45/692879445.db2.gz FDSHVKJKPXZTSD-FAFZWHIHSA-N 1 3 345.531 2.204 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945089381 1193362443 /nfs/dbraw/zinc/36/24/43/1193362443.db2.gz GYOSSMLIILIIGR-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945089381 1193362445 /nfs/dbraw/zinc/36/24/45/1193362445.db2.gz GYOSSMLIILIIGR-LPHOPBHVSA-N 1 3 327.472 2.212 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)C[C@@H]2C)CC1 ZINC000945181446 1193415770 /nfs/dbraw/zinc/41/57/70/1193415770.db2.gz NFXRLEOGSLTMIM-HKUYNNGSSA-N 1 3 331.504 2.124 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)CC1 ZINC000945181446 1193415772 /nfs/dbraw/zinc/41/57/72/1193415772.db2.gz NFXRLEOGSLTMIM-HKUYNNGSSA-N 1 3 331.504 2.124 20 30 EEEDHO C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105429364 1187057643 /nfs/dbraw/zinc/05/76/43/1187057643.db2.gz XFEJAJPVOMSJAF-GGPKGHCWSA-N 1 3 329.488 2.319 20 30 EEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413399 1196210688 /nfs/dbraw/zinc/21/06/88/1196210688.db2.gz IBKLXPHTZDCTNA-AQNXPRMDSA-N 1 3 341.499 2.489 20 30 EEEDHO C=CCN1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034413399 1196210692 /nfs/dbraw/zinc/21/06/92/1196210692.db2.gz IBKLXPHTZDCTNA-AQNXPRMDSA-N 1 3 341.499 2.489 20 30 EEEDHO C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134584802 1199673280 /nfs/dbraw/zinc/67/32/80/1199673280.db2.gz XITHXFPSSBSRPD-OLZOCXBDSA-N 1 3 346.313 2.252 20 30 EEEDHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001132737788 1199965384 /nfs/dbraw/zinc/96/53/84/1199965384.db2.gz QBIAYKSUNFMFTC-MRXNPFEDSA-N 1 3 346.450 2.025 20 30 EEEDHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2ccc(F)c(C#N)c2)C1 ZINC001132737788 1199965386 /nfs/dbraw/zinc/96/53/86/1199965386.db2.gz 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CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1)N(C)C ZINC000996315360 786254576 /nfs/dbraw/zinc/25/45/76/786254576.db2.gz NSQWJBICTQLRGK-ROUUACIJSA-N 1 3 342.487 2.225 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000997136374 789060984 /nfs/dbraw/zinc/06/09/84/789060984.db2.gz DXBWJAXFWLESSM-APWZRJJASA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000997136374 789060990 /nfs/dbraw/zinc/06/09/90/789060990.db2.gz DXBWJAXFWLESSM-APWZRJJASA-N 1 3 331.504 2.243 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001086926062 793001673 /nfs/dbraw/zinc/00/16/73/793001673.db2.gz OEBCPOBHFDJYIV-RBUKOAKNSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001086926062 793001684 /nfs/dbraw/zinc/00/16/84/793001684.db2.gz OEBCPOBHFDJYIV-RBUKOAKNSA-N 1 3 345.531 2.301 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)C[C@]2(C)C1 ZINC001092190003 793652632 /nfs/dbraw/zinc/65/26/32/793652632.db2.gz LRKNXMQSZAFZRX-HBFSDRIKSA-N 1 3 331.504 2.055 20 30 EEEDHO C#CCN1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@]2(C)C1 ZINC001092190003 793652640 /nfs/dbraw/zinc/65/26/40/793652640.db2.gz LRKNXMQSZAFZRX-HBFSDRIKSA-N 1 3 331.504 2.055 20 30 EEEDHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)C1CCC1 ZINC000999362517 794362062 /nfs/dbraw/zinc/36/20/62/794362062.db2.gz BGAHLGVBZFIAPB-GOSISDBHSA-N 1 3 340.471 2.123 20 30 EEEDHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000999409626 794425840 /nfs/dbraw/zinc/42/58/40/794425840.db2.gz RGAXHXMPVVHXJO-NFOMZHRRSA-N 1 3 346.500 2.041 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC2CCC2)CC3)CC1 ZINC000992512349 794463358 /nfs/dbraw/zinc/46/33/58/794463358.db2.gz RXXFRXCQTZGPKI-PZJWPPBQSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCN1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC2CCC2)CC3)CC1 ZINC000992512349 794463362 /nfs/dbraw/zinc/46/33/62/794463362.db2.gz RXXFRXCQTZGPKI-PZJWPPBQSA-N 1 3 343.515 2.245 20 30 EEEDHO C#CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717270 794610803 /nfs/dbraw/zinc/61/08/03/794610803.db2.gz SSASLDPRPZICEF-ZWKOTPCHSA-N 1 3 331.504 2.197 20 30 EEEDHO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717270 794610806 /nfs/dbraw/zinc/61/08/06/794610806.db2.gz SSASLDPRPZICEF-ZWKOTPCHSA-N 1 3 331.504 2.197 20 30 EEEDHO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379993 795117895 /nfs/dbraw/zinc/11/78/95/795117895.db2.gz NZTUMDWHHIWBDP-SFHVURJKSA-N 1 3 328.460 2.231 20 30 EEEDHO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379993 795117898 /nfs/dbraw/zinc/11/78/98/795117898.db2.gz NZTUMDWHHIWBDP-SFHVURJKSA-N 1 3 328.460 2.231 20 30 EEEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001081182404 796679807 /nfs/dbraw/zinc/67/98/07/796679807.db2.gz VVQRTYZNYPUNFQ-OTWHNJEPSA-N 1 3 329.488 2.487 20 30 EEEDHO C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001171872302 796761061 /nfs/dbraw/zinc/76/10/61/796761061.db2.gz BPYZBTDRXLPFJJ-FFEBTUMSSA-N 1 3 349.519 2.080 20 30 EEEDHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179856678 800134223 /nfs/dbraw/zinc/13/42/23/800134223.db2.gz GPFUSGXNQBOCPV-LPHOPBHVSA-N 1 3 345.462 2.098 20 30 EEEDHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1C ZINC001179856678 800134227 /nfs/dbraw/zinc/13/42/27/800134227.db2.gz GPFUSGXNQBOCPV-LPHOPBHVSA-N 1 3 345.462 2.098 20 30 EEEDHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001184556412 802070725 /nfs/dbraw/zinc/07/07/25/802070725.db2.gz PAYGMMZPGHZYBM-HIFRSBDPSA-N 1 3 327.900 2.297 20 30 EEEDHO CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004461814 802134156 /nfs/dbraw/zinc/13/41/56/802134156.db2.gz ARTVAQJDMKLBCT-OALUTQOASA-N 1 3 333.520 2.299 20 30 EEEDHO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004461814 802134159 /nfs/dbraw/zinc/13/41/59/802134159.db2.gz ARTVAQJDMKLBCT-OALUTQOASA-N 1 3 333.520 2.299 20 30 EEEDHO